#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3l4j s ARG 422 N 0.00 2.54 0.53 4.33 0.52 -1.26 -4.99 118.95 120.62 3l4j s ARG 422 Ca 0.00 -0.78 -0.16 0.00 -0.52 0.00 0.00 55.73 54.27 3l4j s ARG 422 Cb 0.00 -2.52 -0.07 0.00 0.52 0.00 0.00 34.95 32.87 3l4j s ARG 422 CO 0.00 0.57 0.99 0.42 0.02 0.00 0.00 175.30 177.31 3l4j s ILE 423 N -1.16 4.50 0.00 1.52 1.01 -1.26 -5.01 121.20 120.81 3l4j s ILE 423 Ca 0.21 1.16 0.00 0.00 0.00 0.00 0.00 60.65 62.03 3l4j s ILE 423 Cb -0.11 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.64 3l4j s ILE 423 CO 0.13 -0.72 0.00 0.35 0.00 0.00 0.00 174.94 174.70 3l4j n THR 424 N -1.72 0.00 -0.25 2.92 -2.24 -1.26 -4.84 114.28 106.88 3l4j n THR 424 Ca 0.07 0.00 0.29 0.00 -2.27 0.00 0.00 64.05 62.14 3l4j n THR 424 Cb 0.54 -0.45 0.68 0.00 -2.10 0.00 0.00 70.33 69.00 3l4j n THR 424 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3l4j h ASN 425 N 0.00 0.10 -3.29 3.42 2.35 -2.03 -3.39 115.58 112.74 3l4j h ASN 425 Ca 0.00 0.02 -0.67 0.00 -0.55 0.00 0.00 56.30 55.10 3l4j h ASN 425 Cb 0.84 -0.00 -0.35 0.00 0.05 0.00 0.00 38.32 38.86 3l4j h ASN 425 CO 0.00 0.03 -0.84 -0.31 -1.65 0.00 0.00 177.43 174.66 3l4j s TYR 426 N -5.08 2.92 0.13 1.19 1.51 -1.26 -5.00 117.35 111.75 3l4j s TYR 426 Ca -0.06 -1.81 -0.13 0.00 -1.01 0.00 0.00 57.07 54.07 3l4j s TYR 426 Cb 0.23 -1.93 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 3l4j s TYR 426 CO 0.79 -0.82 1.49 -1.35 -1.11 0.00 0.00 175.55 174.55 3l4j h PRO 427 N 7.90 0.85 0.00 -1.71 0.11 -1.99 -3.32 132.00 133.85 3l4j h PRO 427 Ca -0.39 -0.39 0.00 0.00 0.11 0.00 0.00 66.00 65.33 3l4j h PRO 427 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3l4j h PRO 427 CO 0.59 1.03 -0.44 1.63 -0.21 0.00 0.00 178.00 180.60 3l4j n LYS 428 N -4.20 0.27 -2.05 1.05 5.02 -1.26 -4.75 118.16 112.23 3l4j n LYS 428 Ca -0.02 0.12 -0.42 0.00 -2.02 0.00 0.00 58.31 55.97 3l4j n LYS 428 Cb 0.45 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.73 3l4j n LYS 428 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3l4j s LEU 429 N -4.25 4.34 -0.58 -0.35 2.96 -1.25 -4.82 118.68 114.73 3l4j s LEU 429 Ca 0.08 2.29 -0.19 0.00 -0.22 0.00 0.00 54.13 56.09 3l4j s LEU 429 Cb 0.13 -3.56 0.10 0.00 0.50 0.00 0.00 46.19 43.37 3l4j s LEU 429 CO 0.68 -0.84 0.70 -1.61 -1.32 0.00 0.00 176.35 173.97 3l4j s GLU 430 N 2.88 3.05 -0.16 1.98 0.41 -0.86 -5.00 118.70 121.01 3l4j s GLU 430 Ca 0.70 -1.26 -0.28 0.00 -0.41 0.00 0.00 54.97 53.72 3l4j s GLU 430 Cb -0.35 -4.25 -0.01 0.00 -1.78 0.00 0.00 34.13 27.74 3l4j s GLU 430 CO 0.29 -1.52 0.96 0.34 -0.49 0.00 0.00 175.26 174.85 3l4j s ASP 431 N 3.53 7.12 0.15 -0.19 2.15 -1.26 -1.99 116.67 126.18 3l4j s ASP 431 Ca 0.12 1.38 -0.34 0.00 0.43 0.00 0.00 52.55 54.15 3l4j s ASP 431 Cb -0.23 -2.52 -0.15 0.00 -0.30 0.00 0.00 42.92 39.71 3l4j s ASP 431 CO 0.07 -0.50 1.34 0.00 -0.17 0.00 0.00 175.17 175.92 3l4j n ALA 432 N 5.44 -0.10 -0.17 3.66 0.00 -1.24 -4.84 120.51 123.26 3l4j n ALA 432 Ca 0.08 0.47 0.20 0.00 0.00 0.00 0.00 53.44 54.19 3l4j n ALA 432 Cb 0.48 -2.15 0.57 0.00 0.00 0.00 0.00 19.45 18.35 3l4j n ALA 432 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 3l4j h ASN 433 N 4.39 0.28 -0.64 0.00 2.35 -1.52 -0.98 115.58 119.46 3l4j h ASN 433 Ca -0.45 0.02 -0.40 0.00 -0.55 0.00 0.00 56.30 54.92 3l4j h ASN 433 Cb 1.31 -0.03 -0.24 0.00 0.05 0.00 0.00 38.32 39.41 3l4j h ASN 433 CO 0.77 0.13 -0.01 0.29 -1.65 0.00 0.00 177.43 176.96 3l4j n LYS 434 N -4.44 2.48 -2.09 0.81 5.02 -0.84 -5.00 118.16 114.10 3l4j n LYS 434 Ca 0.16 -3.44 -0.42 0.00 -2.02 0.00 0.00 58.31 52.58 3l4j n LYS 434 Cb 0.67 -2.06 -0.03 0.00 -0.02 0.00 0.00 35.03 33.59 3l4j n LYS 434 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3l4j s ALA 435 N -3.46 3.63 0.00 7.82 0.00 -0.37 -3.46 121.76 125.91 3l4j s ALA 435 Ca 0.51 1.04 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3l4j s ALA 435 Cb 0.44 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3l4j s ALA 435 CO 0.01 -0.99 0.00 0.41 0.00 0.00 0.00 175.76 175.19 3l4j n GLY 436 N 3.80 2.85 3.90 0.00 0.00 0.12 -4.86 105.19 111.00 3l4j n GLY 436 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 3l4j n GLY 436 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3l4j s THR 437 N -2.83 2.00 0.40 2.61 -4.23 -1.22 -4.59 115.64 107.78 3l4j s THR 437 Ca 0.00 0.00 0.13 0.00 -1.18 0.00 0.00 61.69 60.64 3l4j s THR 437 Cb 0.00 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.98 3l4j s THR 437 CO 0.00 0.00 1.31 0.11 -0.54 0.00 0.00 174.62 175.50 3l4j h LYS 438 N -1.21 0.00 -0.49 3.99 1.57 -1.91 4.94 116.57 123.46 3l4j h LYS 438 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 3l4j h LYS 438 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3l4j h LYS 438 CO 0.60 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.87 3l4j n GLU 439 N -2.33 2.23 -0.09 3.15 1.02 -1.26 -4.62 120.64 118.74 3l4j n GLU 439 Ca -0.01 -1.90 0.14 0.00 -0.02 0.00 0.00 57.16 55.37 3l4j n GLU 439 Cb 0.57 -1.43 0.53 0.00 -0.02 0.00 0.00 31.44 31.09 3l4j n GLU 439 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3l4j h GLY 440 N 4.81 0.51 1.08 0.62 0.00 0.98 0.21 103.07 111.27 3l4j h GLY 440 Ca 0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3l4j h GLY 440 CO 0.00 0.07 0.52 0.10 0.00 0.00 0.00 176.54 177.23 3l4j h TYR 441 N 0.34 1.19 -0.40 5.60 -0.00 -1.81 0.67 116.97 122.55 3l4j h TYR 441 Ca 0.29 -0.01 -0.13 0.00 -0.00 0.00 0.00 58.73 58.88 3l4j h TYR 441 Cb 0.69 -0.39 -0.01 0.00 -0.00 0.00 0.00 36.73 37.03 3l4j h TYR 441 CO -0.00 0.80 -0.27 0.87 -0.00 0.00 0.00 178.16 179.55 3l4j h LYS 442 N 1.23 0.90 -6.86 0.10 1.57 -0.92 -2.65 116.57 109.93 3l4j h LYS 442 Ca 0.32 -0.43 -0.57 0.00 -1.87 0.00 0.00 60.65 58.10 3l4j h LYS 442 Cb -0.03 -0.01 0.17 0.00 0.08 0.00 0.00 32.23 32.44 3l4j h LYS 442 CO -0.06 1.08 0.12 0.00 -0.57 0.00 0.00 179.45 180.02 3l4j s THR 444 N -1.56 1.52 -0.25 0.00 2.01 -0.05 -1.43 115.64 115.88 3l4j s THR 444 Ca 0.76 -0.75 -0.08 0.00 0.31 0.00 0.00 61.69 61.93 3l4j s THR 444 Cb -0.40 -1.31 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 3l4j s THR 444 CO 0.47 0.44 0.11 -0.22 -0.69 0.00 0.00 174.62 174.72 3l4j s LEU 445 N 0.11 3.69 -0.43 4.42 2.96 0.14 -1.00 118.68 128.56 3l4j s LEU 445 Ca -0.06 -0.09 -0.19 0.00 -0.22 0.00 0.00 54.13 53.57 3l4j s LEU 445 Cb -0.13 -1.99 0.02 0.00 0.50 0.00 0.00 46.19 44.60 3l4j s LEU 445 CO 0.03 -0.00 0.53 -0.69 -1.32 0.00 0.00 176.35 174.90 3l4j s VAL 446 N 1.43 4.98 -0.29 1.68 1.01 0.14 0.36 120.40 129.72 3l4j s VAL 446 Ca 0.06 -0.19 -0.25 0.00 0.00 0.00 0.00 61.98 61.60 3l4j s VAL 446 Cb -0.15 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.12 3l4j s VAL 446 CO 0.05 -0.51 0.88 -0.76 0.00 0.00 0.00 175.10 174.76 3l4j s LEU 447 N 2.42 4.05 -0.04 3.92 1.43 0.97 -1.09 118.68 130.35 3l4j s LEU 447 Ca 0.16 0.89 -0.02 0.00 -1.03 0.00 0.00 54.13 54.13 3l4j s LEU 447 Cb -0.16 -3.24 -0.04 0.00 0.03 0.00 0.00 46.19 42.78 3l4j s LEU 447 CO 0.16 -0.65 0.09 0.42 0.23 0.00 0.00 176.35 176.60 3l4j s THR 448 N 3.09 4.89 -0.73 5.49 -4.23 -0.89 -0.61 115.64 122.66 3l4j s THR 448 Ca 0.37 -0.25 -0.20 0.00 -1.18 0.00 0.00 61.69 60.42 3l4j s THR 448 Cb -0.14 -3.20 0.10 0.00 1.34 0.00 0.00 72.50 70.60 3l4j s THR 448 CO 0.11 0.43 0.95 -0.70 -0.54 0.00 0.00 174.62 174.87 3l4j s GLU 449 N -1.52 3.25 0.00 3.99 2.12 -0.07 0.59 118.70 127.06 3l4j s GLU 449 Ca 0.21 -1.26 0.00 0.00 0.36 0.00 0.00 54.97 54.28 3l4j s GLU 449 Cb -0.12 -4.45 0.00 0.00 0.26 0.00 0.00 34.13 29.82 3l4j s GLU 449 CO 0.11 -1.73 0.00 0.41 -0.54 0.00 0.00 175.26 173.51 3l4j n GLY 450 N 5.34 -0.14 0.20 -1.50 0.00 -1.20 -4.21 105.19 103.67 3l4j n GLY 450 Ca 0.04 -1.75 0.11 0.00 0.00 0.00 0.00 46.02 44.42 3l4j n GLY 450 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3l4j h ASP 451 N 0.00 0.00 0.17 1.61 3.32 -1.91 -1.69 116.42 117.92 3l4j h ASP 451 Ca 0.00 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 3l4j h ASP 451 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3l4j h ASP 451 CO 0.00 0.03 -0.08 -1.28 -1.72 0.00 0.00 179.24 176.18 3l4j h SER 452 N 0.00 -0.19 -0.34 6.45 0.87 -1.86 0.36 113.55 118.85 3l4j h SER 452 Ca -0.00 -0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.42 3l4j h SER 452 Cb 1.02 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 63.01 3l4j h SER 452 CO 0.00 0.05 0.18 0.00 -0.53 0.00 0.00 176.83 176.53 3l4j h ALA 453 N 0.35 0.41 -0.78 6.23 0.00 -1.39 -2.52 119.26 121.57 3l4j h ALA 453 Ca -0.02 0.00 0.09 0.00 0.00 0.00 0.00 54.91 54.98 3l4j h ALA 453 Cb 0.34 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 3l4j h ALA 453 CO 0.04 -0.19 0.44 1.25 0.00 0.00 0.00 179.25 180.79 3l4j h LEU 454 N 0.37 0.62 -1.11 0.00 5.85 -1.11 0.43 115.31 120.36 3l4j h LEU 454 Ca 0.14 0.05 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3l4j h LEU 454 Cb 0.03 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.94 3l4j h LEU 454 CO -0.08 0.36 0.58 0.77 -0.34 0.00 0.00 178.44 179.73 3l4j h SER 455 N 0.74 1.03 -0.46 1.25 4.64 0.07 0.77 113.55 121.59 3l4j h SER 455 Ca 0.37 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.57 3l4j h SER 455 Cb 0.34 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 3l4j h SER 455 CO -0.24 0.75 -0.09 0.25 -0.87 0.00 0.00 176.83 176.63 3l4j h LEU 456 N 1.21 0.87 -0.18 5.97 6.46 -0.61 -1.62 115.31 127.42 3l4j h LEU 456 Ca 0.32 -0.35 0.01 0.00 -0.12 0.00 0.00 57.88 57.74 3l4j h LEU 456 Cb -0.13 -0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 39.55 3l4j h LEU 456 CO -0.07 1.02 0.08 0.00 -0.62 0.00 0.00 178.44 178.86 3l4j h ALA 457 N 0.88 0.21 -0.47 1.25 0.00 0.60 -0.52 119.26 121.20 3l4j h ALA 457 Ca 0.12 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3l4j h ALA 457 Cb 0.63 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3l4j h ALA 457 CO 0.04 -0.35 0.01 -0.39 0.00 0.00 0.00 179.25 178.57 3l4j h VAL 458 N 0.18 1.24 -0.46 0.00 -1.51 -0.88 -0.95 116.25 113.87 3l4j h VAL 458 Ca 0.07 -0.96 -0.02 0.00 -1.23 0.00 0.00 66.70 64.56 3l4j h VAL 458 Cb 0.02 0.87 -0.02 0.00 -2.13 0.00 0.00 31.29 30.02 3l4j h VAL 458 CO -0.05 0.34 0.21 0.00 -1.23 0.00 0.00 177.57 176.84 3l4j h ALA 459 N 1.30 1.52 -0.20 5.19 0.00 -0.95 -2.47 119.26 123.64 3l4j h ALA 459 Ca 0.14 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3l4j h ALA 459 Cb 0.42 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3l4j h ALA 459 CO 0.02 0.39 -0.19 0.78 0.00 0.00 0.00 179.25 180.24 3l4j h GLY 460 N 0.76 0.37 0.42 0.00 0.00 0.29 -2.81 103.07 102.09 3l4j h GLY 460 Ca 0.16 -0.26 0.14 0.00 0.00 0.00 0.00 47.33 47.37 3l4j h GLY 460 CO -0.02 0.24 0.61 1.41 0.00 0.00 0.00 176.54 178.78 3l4j h LEU 461 N 0.31 0.79 0.00 3.11 3.38 -1.00 0.24 115.31 122.14 3l4j h LEU 461 Ca 0.06 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3l4j h LEU 461 Cb 0.52 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3l4j h LEU 461 CO 0.03 0.39 0.00 0.00 0.09 0.00 0.00 178.44 178.95 3l4j n ALA 462 N -2.38 1.25 -0.09 1.53 0.00 -1.06 -0.04 120.51 119.73 3l4j n ALA 462 Ca 0.19 -0.02 -0.15 0.00 0.00 0.00 0.00 53.44 53.46 3l4j n ALA 462 Cb 0.45 -1.08 -0.07 0.00 0.00 0.00 0.00 19.45 18.74 3l4j n ALA 462 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3l4j n VAL 463 N -1.48 0.98 1.00 0.00 0.31 0.74 -4.72 118.33 115.16 3l4j n VAL 463 Ca 0.01 -0.32 0.10 0.00 -0.01 0.00 0.00 64.34 64.12 3l4j n VAL 463 Cb 0.06 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.55 3l4j n VAL 463 CO 0.00 0.00 0.00 1.33 -1.32 0.00 0.00 176.83 176.84 3l4j n VAL 464 N -3.34 0.00 0.00 2.52 0.24 -0.65 -4.98 118.33 112.12 3l4j n VAL 464 Ca -0.32 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 61.91 3l4j n VAL 464 Cb 0.79 1.03 0.00 0.00 -1.47 0.00 0.00 33.84 34.20 3l4j n VAL 464 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3l4j n GLY 465 N 1.48 -0.05 0.18 7.63 0.00 0.94 -4.86 105.19 110.51 3l4j n GLY 465 Ca 0.05 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 3l4j n GLY 465 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3l4j h ARG 466 N 0.00 0.46 -1.01 1.61 -0.00 -1.83 -3.33 114.38 110.29 3l4j h ARG 466 Ca 0.00 -0.40 0.30 0.00 -0.50 0.00 0.00 59.98 59.38 3l4j h ARG 466 Cb 0.00 0.09 -0.14 0.00 0.00 0.00 0.00 29.97 29.92 3l4j h ARG 466 CO 0.00 1.04 0.58 -0.44 0.00 0.00 0.00 179.97 181.15 3l4j h ASP 467 N 0.30 0.56 0.00 7.04 3.32 -1.92 -2.02 116.42 123.71 3l4j h ASP 467 Ca -0.04 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.18 3l4j h ASP 467 Cb 1.38 0.10 0.00 0.00 0.22 0.00 0.00 39.33 41.03 3l4j h ASP 467 CO 0.14 -0.06 -0.01 -1.22 -1.72 0.00 0.00 179.24 176.38 3l4j n TYR 468 N -4.99 0.00 -3.91 4.55 4.01 -1.26 -1.99 117.16 113.57 3l4j n TYR 468 Ca 0.30 -0.55 -0.14 0.00 -0.16 0.00 0.00 57.90 57.35 3l4j n TYR 468 Cb 0.91 -0.06 -0.15 0.00 -0.31 0.00 0.00 39.34 39.73 3l4j n TYR 468 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3l4j s TYR 469 N -1.24 0.15 0.17 -0.72 2.02 -0.79 -0.88 117.35 116.06 3l4j s TYR 469 Ca 0.05 0.01 -0.00 0.00 -0.37 0.00 0.00 57.07 56.76 3l4j s TYR 469 Cb 0.05 -0.18 -0.04 0.00 -0.40 0.00 0.00 41.96 41.38 3l4j s TYR 469 CO 0.00 -0.04 0.07 0.20 -1.57 0.00 0.00 175.55 174.22 3l4j s GLY 470 N 0.39 1.23 -0.02 0.71 0.00 -0.17 -3.61 107.32 105.85 3l4j s GLY 470 Ca -0.03 -1.59 -0.03 0.00 0.00 0.00 0.00 44.72 43.06 3l4j s GLY 470 CO -0.01 -1.42 0.07 0.00 0.00 0.00 0.00 173.10 171.75 3l4j s TYR 472 N -0.44 0.38 0.08 0.00 5.04 -0.25 -2.04 117.35 120.12 3l4j s TYR 472 Ca -0.05 -0.02 -0.30 0.00 -2.44 0.00 0.00 57.07 54.25 3l4j s TYR 472 Cb -0.03 -0.48 -0.06 0.00 0.35 0.00 0.00 41.96 41.74 3l4j s TYR 472 CO 0.00 -0.16 1.17 -1.25 -1.34 0.00 0.00 175.55 173.97 3l4j s PRO 473 N 1.19 4.46 0.04 4.97 0.04 -1.26 -2.09 135.00 142.34 3l4j s PRO 473 Ca -0.07 1.75 -0.30 0.00 0.04 0.00 0.00 61.00 62.41 3l4j s PRO 473 Cb -0.13 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.02 3l4j s PRO 473 CO -0.02 -0.19 1.20 -0.51 0.04 0.00 0.00 177.00 177.52 3l4j s LEU 474 N 0.80 4.35 0.04 -3.56 1.43 0.20 -4.85 118.68 117.09 3l4j s LEU 474 Ca 0.57 1.97 -0.31 0.00 -1.03 0.00 0.00 54.13 55.33 3l4j s LEU 474 Cb -0.29 -3.57 -0.17 0.00 0.03 0.00 0.00 46.19 42.18 3l4j s LEU 474 CO 0.30 -0.49 1.41 0.03 0.23 0.00 0.00 176.35 177.83 3l4j h ARG 475 N 6.96 -1.09 0.00 1.70 -0.00 -1.95 -3.18 114.38 116.83 3l4j h ARG 475 Ca -0.40 0.07 0.00 0.00 -0.50 0.00 0.00 59.98 59.15 3l4j h ARG 475 Cb 1.20 0.25 0.00 0.00 0.00 0.00 0.00 29.97 31.42 3l4j h ARG 475 CO 0.83 -0.73 0.00 0.41 0.00 0.00 0.00 179.97 180.48 3l4j n GLY 476 N -1.39 4.80 3.64 0.04 0.00 -1.26 -4.53 105.19 106.50 3l4j n GLY 476 Ca -0.14 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 3l4j n GLY 476 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l4j s LYS 477 N 4.24 3.86 0.35 1.61 -0.14 -1.26 -4.92 119.74 123.48 3l4j s LYS 477 Ca 0.00 2.46 -0.26 0.00 -1.36 0.00 0.00 55.97 56.81 3l4j s LYS 477 Cb 0.00 -4.23 -0.09 0.00 -1.68 0.00 0.00 37.83 31.83 3l4j s LYS 477 CO 0.00 -1.28 1.10 1.41 -0.76 0.00 0.00 175.35 175.82 3l4j s MET 478 N 5.01 4.32 0.11 1.68 -2.45 -1.26 -4.95 119.30 121.76 3l4j s MET 478 Ca 0.92 1.72 -0.34 0.00 -1.25 0.00 0.00 55.69 56.74 3l4j s MET 478 Cb -0.40 -2.83 -0.13 0.00 1.25 0.00 0.00 34.83 32.72 3l4j s MET 478 CO 0.40 -0.05 1.66 -0.11 1.05 0.00 0.00 175.02 177.97 3l4j n LEU 479 N 0.46 3.26 -4.62 4.11 7.94 -1.26 -4.92 117.00 121.97 3l4j n LEU 479 Ca 0.02 1.05 -0.43 0.00 -1.11 0.00 0.00 56.01 55.55 3l4j n LEU 479 Cb 0.47 -1.43 -0.02 0.00 0.53 0.00 0.00 43.42 42.96 3l4j n LEU 479 CO 0.50 -0.19 1.25 0.21 -1.11 0.00 0.00 177.39 178.05 3l4j s ASN 480 N 1.64 6.42 0.38 1.96 3.84 -1.26 -4.90 114.94 123.02 3l4j s ASN 480 Ca 0.81 1.16 0.21 0.00 0.21 0.00 0.00 52.86 55.25 3l4j s ASN 480 Cb -0.66 -2.54 0.24 0.00 -0.55 0.00 0.00 41.25 37.74 3l4j s ASN 480 CO 0.40 -1.30 1.52 -0.37 -2.79 0.00 0.00 177.10 174.56 3l4j h VAL 481 N 6.26 0.23 -3.37 -5.21 -1.51 -1.91 -3.38 116.25 107.37 3l4j h VAL 481 Ca -0.29 -1.34 -0.59 0.00 -1.23 0.00 0.00 66.70 63.26 3l4j h VAL 481 Cb 1.12 2.09 -0.08 0.00 -2.13 0.00 0.00 31.29 32.28 3l4j h VAL 481 CO 1.05 0.13 0.21 0.00 -1.23 0.00 0.00 177.57 177.73 3l4j s ARG 482 N -3.15 4.26 0.00 5.19 1.70 -1.26 -2.93 118.95 122.76 3l4j s ARG 482 Ca 0.06 0.78 0.00 0.00 -0.47 0.00 0.00 55.73 56.09 3l4j s ARG 482 Cb 0.06 -3.56 0.00 0.00 -0.57 0.00 0.00 34.95 30.88 3l4j s ARG 482 CO 0.70 -0.24 0.00 0.39 -1.08 0.00 0.00 175.30 175.07 3l4j n GLU 483 N 4.99 0.00 -5.04 3.89 -0.58 -1.26 -4.65 120.64 117.99 3l4j n GLU 483 Ca 0.01 0.00 -0.32 0.00 -0.42 0.00 0.00 57.16 56.42 3l4j n GLU 483 Cb 0.50 -0.97 -0.15 0.00 -0.57 0.00 0.00 31.44 30.24 3l4j n GLU 483 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3l4j s ALA 484 N -2.09 2.38 0.42 0.62 0.00 -1.15 -5.09 121.76 116.85 3l4j s ALA 484 Ca 0.00 -0.96 -0.24 0.00 0.00 0.00 0.00 51.96 50.76 3l4j s ALA 484 Cb 0.00 -0.94 -0.08 0.00 0.00 0.00 0.00 23.12 22.10 3l4j s ALA 484 CO 0.00 0.34 1.19 -1.12 0.00 0.00 0.00 175.76 176.17 3l4j s SER 485 N 0.11 6.34 0.33 0.00 0.01 -1.26 -4.80 113.70 114.43 3l4j s SER 485 Ca -0.09 2.38 0.11 0.00 1.31 0.00 0.00 55.95 59.66 3l4j s SER 485 Cb -0.15 -2.61 0.91 0.00 0.21 0.00 0.00 66.02 64.37 3l4j s SER 485 CO 0.06 -0.81 1.74 0.00 0.41 0.00 0.00 173.24 174.64 3l4j h ALA 486 N 2.41 1.86 -0.62 1.44 0.00 -1.99 0.76 119.26 123.12 3l4j h ALA 486 Ca -0.49 0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.43 3l4j h ALA 486 Cb 1.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 3l4j h ALA 486 CO 0.62 -0.31 0.03 0.22 0.00 0.00 0.00 179.25 179.80 3l4j h ASP 487 N 0.57 1.05 -0.69 0.00 3.58 -1.98 0.23 116.42 119.18 3l4j h ASP 487 Ca 0.63 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.72 3l4j h ASP 487 Cb 1.24 -0.28 -0.03 0.00 1.72 0.00 0.00 39.33 41.98 3l4j h ASP 487 CO -0.43 1.08 0.18 -0.61 -2.88 0.00 0.00 179.24 176.59 3l4j h GLN 488 N 0.98 1.10 0.36 0.28 4.15 0.13 0.92 115.11 123.04 3l4j h GLN 488 Ca 0.18 -0.26 -0.02 0.00 0.77 0.00 0.00 58.65 59.32 3l4j h GLN 488 Cb 0.53 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.07 3l4j h GLN 488 CO 0.03 0.97 -0.17 0.82 -1.93 0.00 0.00 178.83 178.54 3l4j h ILE 489 N 1.04 0.65 -0.63 2.39 2.04 -1.15 -2.76 117.51 119.09 3l4j h ILE 489 Ca 0.22 -0.06 0.01 0.00 1.00 0.00 0.00 64.86 66.03 3l4j h ILE 489 Cb 0.35 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.09 3l4j h ILE 489 CO 0.00 0.01 0.42 0.25 0.00 0.00 0.00 178.15 178.83 3l4j h LEU 490 N -0.52 0.71 -1.50 1.44 6.46 -0.61 0.30 115.31 121.60 3l4j h LEU 490 Ca -0.05 -0.02 -0.05 0.00 -0.12 0.00 0.00 57.88 57.64 3l4j h LEU 490 Cb 0.39 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3l4j h LEU 490 CO 0.08 0.51 -0.26 0.50 -0.62 0.00 0.00 178.44 178.66 3l4j h LYS 491 N 0.84 0.00 -6.21 1.25 3.64 -0.77 -3.42 116.57 111.89 3l4j h LYS 491 Ca 0.23 0.00 -0.54 0.00 -1.27 0.00 0.00 60.65 59.07 3l4j h LYS 491 Cb -0.08 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 3l4j h LYS 491 CO -0.05 0.26 1.26 1.21 -2.27 0.00 0.00 179.45 179.86 3l4j s ASN 492 N -6.80 5.75 0.21 4.20 3.04 0.11 -4.87 114.94 116.58 3l4j s ASN 492 Ca -0.03 0.79 -0.08 0.00 0.04 0.00 0.00 52.86 53.58 3l4j s ASN 492 Cb 0.15 -2.53 0.17 0.00 -1.54 0.00 0.00 41.25 37.49 3l4j s ASN 492 CO 0.69 -1.91 1.82 0.00 -3.04 0.00 0.00 177.10 174.65 3l4j h ALA 493 N 13.16 1.04 0.19 1.71 0.00 -1.83 -2.30 119.26 131.23 3l4j h ALA 493 Ca -0.29 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.49 3l4j h ALA 493 Cb 1.15 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3l4j h ALA 493 CO 1.12 0.59 -0.38 1.49 0.00 0.00 0.00 179.25 182.07 3l4j h GLU 494 N 1.14 -0.63 -0.77 0.00 4.57 -1.95 0.40 114.58 117.34 3l4j h GLU 494 Ca 0.28 0.04 -0.01 0.00 -1.18 0.00 0.00 59.36 58.49 3l4j h GLU 494 Cb 0.08 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.78 3l4j h GLU 494 CO -0.04 -0.42 0.43 0.82 -1.18 0.00 0.00 179.01 178.62 3l4j h ILE 495 N -0.66 1.23 0.17 2.32 2.04 -1.88 -1.74 117.51 119.00 3l4j h ILE 495 Ca 0.01 -0.57 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3l4j h ILE 495 Cb 0.66 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3l4j h ILE 495 CO -0.18 0.25 -0.17 1.56 0.00 0.00 0.00 178.15 179.62 3l4j h GLN 496 N 1.07 -0.35 -0.97 2.37 1.08 -1.11 -1.92 115.11 115.28 3l4j h GLN 496 Ca 0.27 0.02 0.22 0.00 -1.45 0.00 0.00 58.65 57.72 3l4j h GLN 496 Cb 0.03 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 27.45 3l4j h GLN 496 CO -0.04 -0.24 0.63 0.00 -0.95 0.00 0.00 178.83 178.23 3l4j h ALA 497 N 0.42 2.11 -0.29 3.87 0.00 0.46 0.27 119.26 126.09 3l4j h ALA 497 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3l4j h ALA 497 Cb 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3l4j h ALA 497 CO -0.04 -0.45 -0.03 0.82 0.00 0.00 0.00 179.25 179.55 3l4j h ILE 498 N 0.48 1.27 -0.20 0.00 2.04 -0.95 -1.62 117.51 118.52 3l4j h ILE 498 Ca 0.53 -1.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.37 3l4j h ILE 498 Cb 1.23 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 38.64 3l4j h ILE 498 CO -0.26 0.32 -0.01 0.11 0.00 0.00 0.00 178.15 178.31 3l4j h LYS 499 N 0.30 0.30 0.10 2.37 1.57 0.25 -1.02 116.57 120.45 3l4j h LYS 499 Ca 0.08 -0.05 -0.23 0.00 -1.87 0.00 0.00 60.65 58.58 3l4j h LYS 499 Cb 0.48 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.76 3l4j h LYS 499 CO 0.02 0.33 -0.95 0.87 -0.57 0.00 0.00 179.45 179.15 3l4j h LYS 500 N 0.29 0.46 -0.38 3.15 1.79 -1.12 1.01 116.57 121.77 3l4j h LYS 500 Ca 0.07 -0.63 -0.07 0.00 -2.18 0.00 0.00 60.65 57.83 3l4j h LYS 500 Cb 0.22 0.21 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 3l4j h LYS 500 CO 0.01 1.27 -0.07 0.82 -1.08 0.00 0.00 179.45 180.39 3l4j h ILE 501 N -0.05 1.24 -0.41 1.86 2.04 -1.09 -2.57 117.51 118.53 3l4j h ILE 501 Ca -0.15 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.69 3l4j h ILE 501 Cb 1.69 1.02 0.00 0.00 -0.74 0.00 0.00 36.82 38.79 3l4j h ILE 501 CO 0.18 0.35 0.00 0.23 0.00 0.00 0.00 178.15 178.91 3l4j n MET 502 N -4.21 2.04 -3.97 2.37 2.81 -0.41 -4.57 117.12 111.19 3l4j n MET 502 Ca 0.01 -1.61 -0.35 0.00 -1.81 0.00 0.00 57.70 53.95 3l4j n MET 502 Cb 0.32 -1.37 -0.00 0.00 -0.71 0.00 0.00 33.22 31.45 3l4j n MET 502 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3l4j n GLY 503 N 1.23 -0.63 3.81 3.03 0.00 -0.97 -2.16 105.19 109.51 3l4j n GLY 503 Ca 0.16 0.30 -0.32 0.00 0.00 0.00 0.00 46.02 46.16 3l4j n GLY 503 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3l4j s LEU 504 N -7.05 3.96 0.04 0.99 1.43 0.35 -4.46 118.68 113.93 3l4j s LEU 504 Ca 0.30 0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.36 3l4j s LEU 504 Cb -0.14 -2.50 0.02 0.00 0.03 0.00 0.00 46.19 43.61 3l4j s LEU 504 CO 0.93 0.21 0.33 -1.10 0.23 0.00 0.00 176.35 176.95 3l4j s GLN 505 N -2.17 0.83 0.33 1.70 -0.21 -1.26 -4.74 119.66 114.13 3l4j s GLN 505 Ca 0.28 -0.45 0.05 0.00 0.02 0.00 0.00 55.36 55.25 3l4j s GLN 505 Cb -0.12 0.36 0.57 0.00 1.00 0.00 0.00 33.01 34.82 3l4j s GLN 505 CO 0.20 -0.27 1.82 0.45 -2.12 0.00 0.00 175.29 175.38 3l4j h HIS 506 N 3.20 0.46 -3.54 0.91 3.86 -2.00 -3.49 115.15 114.56 3l4j h HIS 506 Ca -0.31 -0.07 -0.55 0.00 -1.16 0.00 0.00 60.37 58.28 3l4j h HIS 506 Cb 1.20 -0.13 0.10 0.00 1.06 0.00 0.00 27.41 29.65 3l4j h HIS 506 CO 0.45 0.56 0.70 0.54 0.86 0.00 0.00 177.93 181.03 3l4j n ARG 507 N -4.21 2.47 0.00 2.45 1.74 -1.26 -4.57 116.66 113.28 3l4j n ARG 507 Ca 0.00 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 57.95 3l4j n ARG 507 Cb 0.31 -2.56 0.00 0.00 -1.02 0.00 0.00 32.46 29.20 3l4j n ARG 507 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3l4j n LYS 508 N 0.88 0.00 -4.48 5.56 5.02 -1.26 -4.65 118.16 119.23 3l4j n LYS 508 Ca 0.04 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 56.13 3l4j n LYS 508 Cb 0.37 0.00 -0.14 0.00 -0.02 0.00 0.00 35.03 35.24 3l4j n LYS 508 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3l4j s LYS 509 N 0.00 0.96 -0.19 1.97 2.20 -1.26 -4.59 119.74 118.83 3l4j s LYS 509 Ca 0.00 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 3l4j s LYS 509 Cb 0.00 -0.94 0.00 0.00 -1.51 0.00 0.00 37.83 35.39 3l4j s LYS 509 CO 0.00 0.25 1.05 0.71 -0.36 0.00 0.00 175.35 177.00 3l4j s TYR 510 N -0.46 3.35 -0.22 4.03 2.02 0.92 -4.89 117.35 122.09 3l4j s TYR 510 Ca 0.04 1.47 -0.07 0.00 -0.37 0.00 0.00 57.07 58.13 3l4j s TYR 510 Cb -0.06 -3.27 -0.18 0.00 -0.40 0.00 0.00 41.96 38.05 3l4j s TYR 510 CO 0.00 -0.51 -0.06 -1.91 -1.57 0.00 0.00 175.55 171.50 3l4j n GLU 511 N 5.97 0.65 -3.99 -0.62 4.07 -1.26 -4.37 120.64 121.09 3l4j n GLU 511 Ca 0.11 0.26 -0.11 0.00 -0.06 0.00 0.00 57.16 57.36 3l4j n GLU 511 Cb 0.47 -1.59 -0.12 0.00 -0.06 0.00 0.00 31.44 30.14 3l4j n GLU 511 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3l4j s ASP 512 N -6.92 0.34 0.00 4.31 1.01 -1.26 -4.92 116.67 109.23 3l4j s ASP 512 Ca -0.32 -0.38 0.06 0.00 0.71 0.00 0.00 52.55 52.63 3l4j s ASP 512 Cb 0.09 0.05 0.38 0.00 1.01 0.00 0.00 42.92 44.46 3l4j s ASP 512 CO 0.61 -0.19 0.88 0.35 0.21 0.00 0.00 175.17 177.04 3l4j n THR 513 N 1.98 0.00 0.05 -1.27 -2.24 -1.26 -3.65 114.28 107.88 3l4j n THR 513 Ca -0.20 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.62 3l4j n THR 513 Cb 0.56 -0.40 0.47 0.00 -2.10 0.00 0.00 70.33 68.86 3l4j n THR 513 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3l4j h LYS 514 N 0.00 0.44 0.00 -0.78 1.79 -1.94 -3.19 116.57 112.88 3l4j h LYS 514 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 3l4j h LYS 514 Cb 0.00 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 3l4j h LYS 514 CO 0.00 0.29 0.00 -1.13 -1.08 0.00 0.00 179.45 177.53 3l4j n SER 515 N -4.49 0.58 -4.86 0.86 3.41 -1.24 -4.83 113.62 103.05 3l4j n SER 515 Ca 0.02 0.65 -0.23 0.00 -0.26 0.00 0.00 58.87 59.05 3l4j n SER 515 Cb 0.07 -0.77 -0.04 0.00 -0.26 0.00 0.00 64.21 63.21 3l4j n SER 515 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3l4j s LEU 516 N -4.29 3.98 0.51 1.04 1.43 -1.20 -4.95 118.68 115.20 3l4j s LEU 516 Ca 0.04 -0.11 0.30 0.00 -1.03 0.00 0.00 54.13 53.33 3l4j s LEU 516 Cb 0.09 -2.53 1.18 0.00 0.03 0.00 0.00 46.19 44.96 3l4j s LEU 516 CO 0.36 -0.02 1.92 0.03 0.23 0.00 0.00 176.35 178.87 3l4j h ARG 517 N 1.66 0.00 -4.24 1.70 2.47 -1.65 -3.41 114.38 110.91 3l4j h ARG 517 Ca -0.49 0.00 -0.19 0.00 -1.26 0.00 0.00 59.98 58.04 3l4j h ARG 517 Cb 1.22 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 29.35 3l4j h ARG 517 CO 0.62 0.08 -0.70 0.71 0.56 0.00 0.00 179.97 181.23 3l4j s TYR 518 N -3.65 0.47 -1.01 3.04 2.02 -1.25 0.16 117.35 117.13 3l4j s TYR 518 Ca 0.01 -0.66 0.16 0.00 -0.37 0.00 0.00 57.07 56.22 3l4j s TYR 518 Cb 0.09 -0.31 -0.12 0.00 -0.40 0.00 0.00 41.96 41.22 3l4j s TYR 518 CO 0.58 -0.19 0.75 0.41 -1.57 0.00 0.00 175.55 175.52 3l4j n GLY 519 N 1.14 -0.36 3.13 0.71 0.00 0.23 -4.65 105.19 105.40 3l4j n GLY 519 Ca -0.21 -0.46 -0.12 0.00 0.00 0.00 0.00 46.02 45.23 3l4j n GLY 519 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3l4j s HIS 520 N -2.34 -0.13 -0.14 1.61 3.76 -0.57 -4.79 115.29 112.70 3l4j s HIS 520 Ca 0.09 0.28 0.01 0.00 -0.15 0.00 0.00 55.06 55.28 3l4j s HIS 520 Cb 0.13 0.04 0.02 0.00 1.11 0.00 0.00 32.58 33.88 3l4j s HIS 520 CO 0.58 -0.23 -0.14 -1.17 -0.85 0.00 0.00 174.74 172.93 3l4j s LEU 521 N -0.69 1.65 -0.04 0.89 2.96 -0.53 -0.69 118.68 122.23 3l4j s LEU 521 Ca -0.08 -0.45 0.02 0.00 -0.22 0.00 0.00 54.13 53.40 3l4j s LEU 521 Cb -0.04 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.49 3l4j s LEU 521 CO 0.01 -0.04 -0.08 -0.32 -1.32 0.00 0.00 176.35 174.60 3l4j s MET 522 N 1.38 2.64 -0.36 1.98 -2.45 0.16 -0.20 119.30 122.45 3l4j s MET 522 Ca 0.02 -0.63 -0.05 0.00 -1.25 0.00 0.00 55.69 53.78 3l4j s MET 522 Cb -0.13 -2.53 0.06 0.00 1.25 0.00 0.00 34.83 33.49 3l4j s MET 522 CO -0.08 0.64 0.13 0.42 1.05 0.00 0.00 175.02 177.17 3l4j s ILE 523 N -0.86 3.54 -0.82 10.11 1.01 -0.17 -0.02 121.20 133.98 3l4j s ILE 523 Ca 0.14 -1.45 -0.15 0.00 0.00 0.00 0.00 60.65 59.19 3l4j s ILE 523 Cb -0.11 -3.13 0.20 0.00 0.01 0.00 0.00 42.46 39.43 3l4j s ILE 523 CO 0.03 -0.33 0.81 -0.04 0.00 0.00 0.00 174.94 175.41 3l4j s MET 524 N 1.31 3.55 0.29 2.79 -1.94 0.22 -2.27 119.30 123.26 3l4j s MET 524 Ca 0.00 -2.27 0.08 0.00 -1.71 0.00 0.00 55.69 51.80 3l4j s MET 524 Cb -0.21 -4.49 -0.04 0.00 2.01 0.00 0.00 34.83 32.10 3l4j s MET 524 CO 0.00 -1.38 0.10 0.95 -0.01 0.00 0.00 175.02 174.69 3l4j s THR 525 N 0.72 3.51 -2.00 2.05 -4.23 -1.26 -0.89 115.64 113.55 3l4j s THR 525 Ca 0.19 -1.71 0.09 0.00 -1.18 0.00 0.00 61.69 59.09 3l4j s THR 525 Cb -0.11 -3.02 0.26 0.00 1.34 0.00 0.00 72.50 70.97 3l4j s THR 525 CO -0.08 -0.29 1.00 0.47 -0.54 0.00 0.00 174.62 175.18 3l4j n ASP 526 N -1.07 0.00 -2.57 3.99 10.43 -1.26 -4.80 116.55 121.28 3l4j n ASP 526 Ca -0.05 -0.75 -0.14 0.00 2.57 0.00 0.00 54.79 56.41 3l4j n ASP 526 Cb 0.60 0.00 0.06 0.00 1.84 0.00 0.00 41.12 43.61 3l4j n ASP 526 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 3l4j n GLN 527 N -0.78 -4.98 -4.49 -1.24 -0.06 -1.26 -4.79 117.38 99.78 3l4j n GLN 527 Ca 0.07 0.55 -0.25 0.00 -2.00 0.00 0.00 57.00 55.38 3l4j n GLN 527 Cb 0.03 -4.74 -0.08 0.00 -4.06 0.00 0.00 30.24 21.39 3l4j n GLN 527 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3l4j s ASP 528 N -3.44 2.63 0.23 1.69 -4.77 -1.26 -4.97 116.67 106.77 3l4j s ASP 528 Ca 0.26 -1.66 -0.08 0.00 -3.30 0.00 0.00 52.55 47.77 3l4j s ASP 528 Cb -0.11 0.48 0.26 0.00 -1.09 0.00 0.00 42.92 42.46 3l4j s ASP 528 CO 0.48 -0.93 1.86 0.45 0.70 0.00 0.00 175.17 177.73 3l4j h HIS 529 N 1.85 0.94 0.00 2.11 3.86 -1.96 0.08 115.15 122.03 3l4j h HIS 529 Ca -0.35 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 58.85 3l4j h HIS 529 Cb 1.27 -0.31 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 3l4j h HIS 529 CO 1.46 0.52 -0.21 -0.44 0.86 0.00 0.00 177.93 180.12 3l4j h ASP 530 N 0.96 0.00 -0.34 2.45 3.32 -1.97 -1.26 116.42 119.58 3l4j h ASP 530 Ca 0.33 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.37 3l4j h ASP 530 Cb 0.07 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3l4j h ASP 530 CO -0.13 0.21 0.18 1.23 -1.72 0.00 0.00 179.24 179.00 3l4j h GLY 531 N 0.86 0.51 1.10 2.75 0.00 -1.39 -1.67 103.07 105.22 3l4j h GLY 531 Ca -0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3l4j h GLY 531 CO 0.03 0.23 0.49 1.76 0.00 0.00 0.00 176.54 179.05 3l4j h SER 532 N 0.42 1.06 -0.68 0.19 0.02 -0.59 -1.43 113.55 112.54 3l4j h SER 532 Ca 0.12 -0.08 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3l4j h SER 532 Cb 0.07 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.31 3l4j h SER 532 CO -0.02 0.83 0.45 -0.74 -1.14 0.00 0.00 176.83 176.22 3l4j h HIS 533 N 1.20 0.85 -0.60 3.45 6.17 -1.01 -0.15 115.15 125.07 3l4j h HIS 533 Ca 0.31 0.02 0.01 0.00 0.71 0.00 0.00 60.37 61.42 3l4j h HIS 533 Cb -0.00 -0.29 -0.03 0.00 2.52 0.00 0.00 27.41 29.61 3l4j h HIS 533 CO 0.01 0.53 0.39 0.82 0.71 0.00 0.00 177.93 180.39 3l4j h ILE 534 N 0.92 1.13 -0.02 6.26 1.08 -0.38 -1.32 117.51 125.17 3l4j h ILE 534 Ca 0.25 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3l4j h ILE 534 Cb -0.10 0.28 -0.01 0.00 -3.07 0.00 0.00 36.82 33.92 3l4j h ILE 534 CO -0.06 0.14 -0.04 0.11 -0.69 0.00 0.00 178.15 177.62 3l4j h LYS 535 N 0.79 -0.06 -0.99 2.37 1.57 -0.60 -0.15 116.57 119.50 3l4j h LYS 535 Ca 0.22 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.13 3l4j h LYS 535 Cb -0.07 0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.17 3l4j h LYS 535 CO -0.06 -0.04 0.62 0.78 -0.57 0.00 0.00 179.45 180.19 3l4j h GLY 536 N -0.06 1.59 0.92 3.86 0.00 -0.77 0.49 103.07 109.11 3l4j h GLY 536 Ca 0.03 -0.41 -0.12 0.00 0.00 0.00 0.00 47.33 46.83 3l4j h GLY 536 CO -0.06 0.15 -0.33 1.41 0.00 0.00 0.00 176.54 177.72 3l4j h LEU 537 N 0.96 0.68 -0.38 3.11 3.38 -0.61 0.18 115.31 122.62 3l4j h LEU 537 Ca 0.49 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3l4j h LEU 537 Cb 0.52 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 3l4j h LEU 537 CO -0.26 1.06 0.19 0.40 0.09 0.00 0.00 178.44 179.93 3l4j h ILE 538 N 0.31 0.98 0.56 1.22 2.04 -0.61 0.20 117.51 122.22 3l4j h ILE 538 Ca 0.02 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 3l4j h ILE 538 Cb 0.91 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 3l4j h ILE 538 CO 0.08 0.07 -0.38 0.40 0.00 0.00 0.00 178.15 178.32 3l4j h ILE 539 N 0.39 0.00 -0.99 -0.67 2.04 -0.75 -0.34 117.51 117.20 3l4j h ILE 539 Ca 0.16 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.23 3l4j h ILE 539 Cb 0.06 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 35.96 3l4j h ILE 539 CO -0.11 0.00 -0.21 -1.13 0.00 0.00 0.00 178.15 176.70 3l4j h ASN 540 N -0.89 -0.86 -0.10 1.72 -1.24 -0.52 0.93 115.58 114.62 3l4j h ASN 540 Ca -0.07 0.29 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 3l4j h ASN 540 Cb 0.73 0.60 -0.00 0.00 0.73 0.00 0.00 38.32 40.37 3l4j h ASN 540 CO 0.05 -0.33 0.06 0.15 -1.29 0.00 0.00 177.43 176.07 3l4j h PHE 541 N 0.00 0.14 -0.06 0.67 3.57 -0.28 -1.13 116.94 119.85 3l4j h PHE 541 Ca 0.49 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.99 3l4j h PHE 541 Cb 0.79 -0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.48 3l4j h PHE 541 CO -0.73 0.13 0.03 -0.07 -2.23 0.00 0.00 178.31 175.45 3l4j h LEU 542 N 0.10 0.08 -1.18 0.59 3.38 0.51 0.20 115.31 118.98 3l4j h LEU 542 Ca 0.04 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3l4j h LEU 542 Cb 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 3l4j h LEU 542 CO -0.01 0.15 0.34 -0.08 0.09 0.00 0.00 178.44 178.93 3l4j h GLU 543 N -0.00 0.91 0.00 1.13 4.22 -0.80 -1.70 114.58 118.34 3l4j h GLU 543 Ca 0.02 -0.10 -0.00 0.00 0.08 0.00 0.00 59.36 59.35 3l4j h GLU 543 Cb 0.09 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.16 3l4j h GLU 543 CO -0.00 0.68 -0.07 1.03 -2.18 0.00 0.00 179.01 178.47 3l4j h SER 544 N 0.91 0.00 0.30 1.04 0.87 -1.00 -3.36 113.55 112.32 3l4j h SER 544 Ca 0.23 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3l4j h SER 544 Cb 0.05 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.00 3l4j h SER 544 CO -0.04 0.61 -0.15 0.28 -0.53 0.00 0.00 176.83 177.00 3l4j h SER 545 N -1.00 0.00 -3.37 6.23 0.02 -1.02 -3.40 113.55 111.00 3l4j h SER 545 Ca -0.01 0.00 -0.59 0.00 -0.84 0.00 0.00 61.79 60.35 3l4j h SER 545 Cb 0.21 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.38 3l4j h SER 545 CO -0.00 0.15 -0.81 -0.36 -1.14 0.00 0.00 176.83 174.67 3l4j s PHE 546 N -4.33 2.16 0.18 3.45 0.40 -0.64 -4.66 117.98 114.54 3l4j s PHE 546 Ca -0.03 -1.40 -0.30 0.00 -0.60 0.00 0.00 56.93 54.60 3l4j s PHE 546 Cb 0.14 -1.53 -0.08 0.00 0.51 0.00 0.00 43.02 42.06 3l4j s PHE 546 CO 0.63 -0.70 1.24 -1.25 0.70 0.00 0.00 175.22 175.84 3l4j s PRO 547 N 1.48 4.45 -1.03 0.24 0.04 -1.26 -3.57 135.00 135.35 3l4j s PRO 547 Ca -0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.96 3l4j s PRO 547 Cb -0.16 -3.23 0.00 0.00 0.04 0.00 0.00 34.50 31.15 3l4j s PRO 547 CO -0.08 -0.16 0.00 0.41 0.04 0.00 0.00 177.00 177.21 3l4j n GLY 548 N 2.36 1.11 0.12 0.56 0.00 -1.26 -0.06 105.19 108.02 3l4j n GLY 548 Ca 0.05 -0.48 -0.20 0.00 0.00 0.00 0.00 46.02 45.39 3l4j n GLY 548 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3l4j h LEU 549 N 0.00 0.34 -0.27 0.99 5.85 -1.76 -3.32 115.31 117.13 3l4j h LEU 549 Ca -0.20 -0.86 0.00 0.00 0.84 0.00 0.00 57.88 57.66 3l4j h LEU 549 Cb 0.68 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.61 3l4j h LEU 549 CO 0.29 1.50 0.00 0.18 -0.34 0.00 0.00 178.44 180.07 3l4j n LEU 550 N -4.08 0.49 0.01 2.25 4.77 -1.26 -2.75 117.00 116.43 3l4j n LEU 550 Ca -0.22 0.59 -0.02 0.00 -0.03 0.00 0.00 56.01 56.33 3l4j n LEU 550 Cb 0.83 -0.48 0.24 0.00 -2.33 0.00 0.00 43.42 41.68 3l4j n LEU 550 CO 0.40 -0.32 0.83 0.44 -1.33 0.00 0.00 177.39 177.41 3l4j h ASP 551 N 0.00 0.49 -2.13 -1.43 3.32 -1.92 -3.00 116.42 111.75 3l4j h ASP 551 Ca 0.00 -0.13 -0.58 0.00 0.02 0.00 0.00 57.03 56.33 3l4j h ASP 551 Cb 0.47 -0.13 0.02 0.00 0.22 0.00 0.00 39.33 39.91 3l4j h ASP 551 CO 0.00 0.66 1.17 -0.38 -1.72 0.00 0.00 179.24 178.97 3l4j n ILE 552 N -4.19 0.65 -2.55 0.35 5.41 -1.11 -4.58 119.36 113.34 3l4j n ILE 552 Ca 0.01 -0.13 -0.41 0.00 1.00 0.00 0.00 62.75 63.22 3l4j n ILE 552 Cb 0.33 -2.06 -0.04 0.00 -0.71 0.00 0.00 39.64 37.16 3l4j n ILE 552 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3l4j s GLN 553 N 4.34 4.62 -0.21 0.38 2.00 -1.26 -3.45 119.66 126.08 3l4j s GLN 553 Ca 0.92 1.68 0.00 0.00 -2.00 0.00 0.00 55.36 55.96 3l4j s GLN 553 Cb -0.59 -3.28 0.00 0.00 0.80 0.00 0.00 33.01 29.94 3l4j s GLN 553 CO 0.48 0.12 0.00 0.41 -0.50 0.00 0.00 175.29 175.80 3l4j n GLY 554 N 1.99 0.55 0.12 2.59 0.00 -1.26 -4.95 105.19 104.22 3l4j n GLY 554 Ca 0.02 -0.72 -0.21 0.00 0.00 0.00 0.00 46.02 45.11 3l4j n GLY 554 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3l4j h PHE 555 N 0.00 0.51 -3.61 1.61 3.57 -1.84 -3.46 116.94 113.71 3l4j h PHE 555 Ca -0.04 -0.37 -0.62 0.00 3.53 0.00 0.00 57.97 60.47 3l4j h PHE 555 Cb 0.16 -0.02 -0.13 0.00 2.79 0.00 0.00 35.95 38.75 3l4j h PHE 555 CO 0.08 1.41 -0.23 -1.17 -2.23 0.00 0.00 178.31 176.17 3l4j s LEU 556 N -7.75 4.09 0.22 0.59 2.96 -1.26 -1.45 118.68 116.08 3l4j s LEU 556 Ca -0.16 0.37 0.11 0.00 -0.22 0.00 0.00 54.13 54.24 3l4j s LEU 556 Cb 0.02 -2.45 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 3l4j s LEU 556 CO 0.80 -0.13 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.73 3l4j s LEU 557 N 1.74 2.50 -0.04 -0.68 1.43 0.72 -1.41 118.68 122.94 3l4j s LEU 557 Ca 0.16 -0.94 0.02 0.00 -1.03 0.00 0.00 54.13 52.35 3l4j s LEU 557 Cb -0.15 -1.09 0.01 0.00 0.03 0.00 0.00 46.19 44.99 3l4j s LEU 557 CO 0.09 0.06 -0.09 -0.70 0.23 0.00 0.00 176.35 175.94 3l4j s GLU 558 N -3.05 1.18 -0.25 1.70 2.12 0.21 -1.00 118.70 119.62 3l4j s GLU 558 Ca 0.24 -0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.19 3l4j s GLU 558 Cb -0.06 -1.06 -0.05 0.00 0.26 0.00 0.00 34.13 33.22 3l4j s GLU 558 CO 0.11 0.03 0.15 0.12 -0.54 0.00 0.00 175.26 175.13 3l4j s PHE 559 N 0.57 3.25 0.11 5.30 2.19 -0.96 -1.01 117.98 127.43 3l4j s PHE 559 Ca -0.10 0.10 0.08 0.00 0.33 0.00 0.00 56.93 57.34 3l4j s PHE 559 Cb -0.13 -2.28 -0.04 0.00 -1.31 0.00 0.00 43.02 39.27 3l4j s PHE 559 CO 0.02 -0.04 -0.20 0.96 1.83 0.00 0.00 175.22 177.78 3l4j s ILE 560 N 1.25 1.70 0.11 3.12 -4.36 -0.21 -4.50 121.20 118.30 3l4j s ILE 560 Ca 0.07 -1.57 0.03 0.00 -0.26 0.00 0.00 60.65 58.91 3l4j s ILE 560 Cb -0.14 -1.56 -0.04 0.00 1.25 0.00 0.00 42.46 41.96 3l4j s ILE 560 CO 0.06 -0.09 -0.08 0.42 0.24 0.00 0.00 174.94 175.49 3l4j s THR 561 N -1.26 0.82 1.15 8.37 -4.23 -1.26 -4.75 115.64 114.49 3l4j s THR 561 Ca 0.07 -1.87 -0.12 0.00 -1.18 0.00 0.00 61.69 58.58 3l4j s THR 561 Cb -0.10 -1.61 0.27 0.00 1.34 0.00 0.00 72.50 72.40 3l4j s THR 561 CO 0.04 -0.78 1.04 -2.65 -0.54 0.00 0.00 174.62 171.74 3l4j n PRO 562 N 0.09 -2.23 -0.13 3.99 -0.02 -1.26 -4.92 135.00 130.53 3l4j n PRO 562 Ca -0.13 -0.62 -0.24 0.00 -2.02 0.00 0.00 63.50 60.50 3l4j n PRO 562 Cb 0.60 -2.20 -0.10 0.00 -0.02 0.00 0.00 33.50 31.78 3l4j n PRO 562 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3l4j n ILE 563 N -4.91 1.40 -4.07 4.25 5.41 0.25 -4.91 119.36 116.78 3l4j n ILE 563 Ca 0.04 -0.41 -0.14 0.00 1.00 0.00 0.00 62.75 63.24 3l4j n ILE 563 Cb 0.54 -1.69 -0.14 0.00 -0.71 0.00 0.00 39.64 37.64 3l4j n ILE 563 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3l4j s ILE 564 N -2.47 0.30 -0.12 1.39 1.01 -0.80 -2.37 121.20 118.13 3l4j s ILE 564 Ca -0.35 -0.23 -0.01 0.00 0.00 0.00 0.00 60.65 60.07 3l4j s ILE 564 Cb 0.12 -0.27 -0.02 0.00 0.01 0.00 0.00 42.46 42.30 3l4j s ILE 564 CO 0.48 0.04 -0.11 -0.54 0.00 0.00 0.00 174.94 174.81 3l4j s LYS 565 N -0.21 3.33 -0.08 2.79 1.02 -1.07 -1.30 119.74 124.22 3l4j s LYS 565 Ca 0.00 -0.64 0.01 0.00 0.02 0.00 0.00 55.97 55.37 3l4j s LYS 565 Cb -0.02 -2.67 -0.03 0.00 -0.52 0.00 0.00 37.83 34.59 3l4j s LYS 565 CO -0.00 0.29 -0.09 0.08 -0.92 0.00 0.00 175.35 174.71 3l4j s VAL 566 N 0.17 3.47 -0.15 3.17 1.01 -0.58 -1.84 120.40 125.65 3l4j s VAL 566 Ca -0.06 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.38 3l4j s VAL 566 Cb -0.15 -2.41 0.01 0.00 0.00 0.00 0.00 36.38 33.83 3l4j s VAL 566 CO 0.04 0.58 -0.20 -0.94 0.00 0.00 0.00 175.10 174.58 3l4j s SER 567 N -0.58 3.22 -0.34 3.32 1.04 -1.02 -2.00 113.70 117.34 3l4j s SER 567 Ca 0.09 -0.59 -0.21 0.00 0.48 0.00 0.00 55.95 55.72 3l4j s SER 567 Cb -0.12 -1.47 -0.00 0.00 0.10 0.00 0.00 66.02 64.53 3l4j s SER 567 CO 0.02 0.06 0.65 -0.63 0.98 0.00 0.00 173.24 174.32 3l4j s ILE 568 N 0.91 4.89 -0.24 -1.02 1.01 -1.19 -2.02 121.20 123.55 3l4j s ILE 568 Ca -0.04 0.71 -0.14 0.00 0.00 0.00 0.00 60.65 61.17 3l4j s ILE 568 Cb -0.15 -4.06 -0.16 0.00 0.01 0.00 0.00 42.46 38.10 3l4j s ILE 568 CO -0.04 -0.26 -0.07 0.35 0.00 0.00 0.00 174.94 174.92 3l4j n THR 569 N 5.53 1.55 0.32 2.92 -2.24 0.63 -4.41 114.28 118.59 3l4j n THR 569 Ca -0.01 -0.30 0.07 0.00 -2.27 0.00 0.00 64.05 61.54 3l4j n THR 569 Cb 0.49 -1.88 0.11 0.00 -2.10 0.00 0.00 70.33 66.95 3l4j n THR 569 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3l4j n LYS 570 N -4.14 1.63 0.00 -0.78 5.02 -1.24 -4.93 118.16 113.72 3l4j n LYS 570 Ca -0.44 -1.65 0.00 0.00 -2.02 0.00 0.00 58.31 54.20 3l4j n LYS 570 Cb 0.84 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 3l4j n LYS 570 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3l4j n PRO 571 N 0.82 0.00 -5.03 1.97 -0.04 -1.26 -4.96 135.00 126.50 3l4j n PRO 571 Ca 0.11 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 3l4j n PRO 571 Cb 0.40 0.00 -0.16 0.00 -0.04 0.00 0.00 33.50 33.70 3l4j n PRO 571 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3l4j s THR 572 N 0.10 1.72 -0.32 0.52 -4.23 -1.26 -5.10 115.64 107.07 3l4j s THR 572 Ca 0.00 -0.87 -0.08 0.00 -1.18 0.00 0.00 61.69 59.56 3l4j s THR 572 Cb 0.00 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.38 3l4j s THR 572 CO 0.00 0.49 0.11 -0.75 -0.54 0.00 0.00 174.62 173.93 3l4j s LYS 573 N -0.00 2.98 0.06 3.99 2.20 -1.26 -4.77 119.74 122.93 3l4j s LYS 573 Ca -0.05 -0.94 -0.15 0.00 -0.36 0.00 0.00 55.97 54.47 3l4j s LYS 573 Cb -0.13 -3.46 0.02 0.00 -1.51 0.00 0.00 37.83 32.76 3l4j s LYS 573 CO 0.03 -0.52 0.33 -0.80 -0.36 0.00 0.00 175.35 174.03 3l4j s ASN 574 N 1.50 -0.16 -0.09 1.43 0.01 -1.26 -5.02 114.94 111.34 3l4j s ASN 574 Ca 0.02 -0.19 -0.01 0.00 -0.71 0.00 0.00 52.86 51.97 3l4j s ASN 574 Cb -0.18 0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.84 3l4j s ASN 574 CO 0.03 -0.66 -0.05 0.42 -1.51 0.00 0.00 177.10 175.34 3l4j s THR 575 N -2.75 3.88 -0.18 1.60 -4.23 -1.26 -3.16 115.64 109.54 3l4j s THR 575 Ca -0.04 -0.40 -0.02 0.00 -1.18 0.00 0.00 61.69 60.06 3l4j s THR 575 Cb -0.00 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 71.21 3l4j s THR 575 CO -0.05 0.57 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.89 3l4j s ILE 576 N -0.53 3.09 -0.17 2.99 1.01 -0.85 -4.96 121.20 121.79 3l4j s ILE 576 Ca 0.08 -0.61 -0.15 0.00 0.00 0.00 0.00 60.65 59.98 3l4j s ILE 576 Cb -0.12 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 3l4j s ILE 576 CO 0.02 0.47 0.33 0.00 0.00 0.00 0.00 174.94 175.77 3l4j s ALA 577 N 1.06 3.57 -0.17 9.38 0.00 -1.26 -1.52 121.76 132.81 3l4j s ALA 577 Ca 0.00 -0.46 -0.01 0.00 0.00 0.00 0.00 51.96 51.49 3l4j s ALA 577 Cb -0.15 -2.48 -0.00 0.00 0.00 0.00 0.00 23.12 20.49 3l4j s ALA 577 CO -0.02 -0.03 -0.12 -0.06 0.00 0.00 0.00 175.76 175.53 3l4j s PHE 578 N 0.72 2.84 -1.00 0.00 0.08 -0.42 -4.98 117.98 115.22 3l4j s PHE 578 Ca 0.18 -1.02 0.26 0.00 0.12 0.00 0.00 56.93 56.47 3l4j s PHE 578 Cb -0.14 -1.95 0.74 0.00 -0.57 0.00 0.00 43.02 41.10 3l4j s PHE 578 CO 0.06 -0.50 1.58 0.66 -0.10 0.00 0.00 175.22 176.92 3l4j n TYR 579 N 4.27 0.00 -4.00 0.36 4.02 -1.26 0.86 117.16 121.40 3l4j n TYR 579 Ca -0.19 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.59 3l4j n TYR 579 Cb 0.51 -0.33 -0.04 0.00 -0.02 0.00 0.00 39.34 39.47 3l4j n TYR 579 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 3l4j s ASN 580 N -3.00 0.24 0.02 7.72 2.20 -1.26 -4.48 114.94 116.40 3l4j s ASN 580 Ca 0.12 -1.14 -0.23 0.00 -0.94 0.00 0.00 52.86 50.68 3l4j s ASN 580 Cb 0.18 0.65 -0.16 0.00 -2.00 0.00 0.00 41.25 39.91 3l4j s ASN 580 CO 0.65 -1.26 1.37 0.24 -2.94 0.00 0.00 177.10 175.15 3l4j h MET 581 N 2.18 0.19 -0.75 3.55 2.86 -1.99 -3.06 114.93 117.90 3l4j h MET 581 Ca -0.28 -0.08 0.03 0.00 -2.06 0.00 0.00 59.70 57.31 3l4j h MET 581 Cb 1.25 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.86 3l4j h MET 581 CO 0.37 0.55 0.47 -1.35 1.06 0.00 0.00 176.91 178.02 3l4j h PRO 582 N -0.18 0.90 -0.24 -0.22 0.11 -1.97 0.32 132.00 130.70 3l4j h PRO 582 Ca 0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.05 3l4j h PRO 582 Cb 0.50 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3l4j h PRO 582 CO 0.01 0.59 0.06 -0.44 -0.21 0.00 0.00 178.00 178.02 3l4j h ASP 583 N 0.92 0.37 -0.50 -2.05 3.32 -1.99 0.42 116.42 116.91 3l4j h ASP 583 Ca 0.30 -0.23 -0.02 0.00 0.02 0.00 0.00 57.03 57.10 3l4j h ASP 583 Cb 0.02 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3l4j h ASP 583 CO -0.11 0.50 0.25 0.22 -1.72 0.00 0.00 179.24 178.38 3l4j h TYR 584 N 0.22 0.75 -0.36 4.55 3.20 -1.39 -2.34 116.97 121.59 3l4j h TYR 584 Ca 0.08 -0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.81 3l4j h TYR 584 Cb 0.27 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3l4j h TYR 584 CO 0.01 0.56 -0.21 1.49 -1.64 0.00 0.00 178.16 178.37 3l4j h GLU 585 N 0.76 0.78 -0.49 1.82 4.57 -0.10 -1.19 114.58 120.73 3l4j h GLU 585 Ca 0.19 -0.36 -0.09 0.00 -1.18 0.00 0.00 59.36 57.92 3l4j h GLU 585 Cb 0.09 -0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 3l4j h GLU 585 CO -0.02 0.98 -0.07 -0.22 -1.18 0.00 0.00 179.01 178.49 3l4j h LYS 586 N 0.58 0.88 -0.31 1.92 3.64 -0.74 -2.39 116.57 120.14 3l4j h LYS 586 Ca 0.08 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.10 3l4j h LYS 586 Cb 0.76 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 3l4j h LYS 586 CO 0.06 0.92 -0.07 2.35 -2.27 0.00 0.00 179.45 180.44 3l4j h TRP 587 N 0.80 0.66 -0.64 1.91 7.01 -1.48 -2.22 115.95 121.99 3l4j h TRP 587 Ca 0.14 -0.14 0.09 0.00 2.11 0.00 0.00 58.89 61.09 3l4j h TRP 587 Cb 0.58 -0.16 -0.04 0.00 -2.10 0.00 0.00 29.16 27.44 3l4j h TRP 587 CO 0.03 0.77 0.43 -0.09 -2.79 0.00 0.00 178.44 176.79 3l4j h ARG 588 N 0.37 0.49 0.00 2.65 2.43 -1.02 0.34 114.38 119.64 3l4j h ARG 588 Ca 0.08 -0.03 -0.29 0.00 -0.81 0.00 0.00 59.98 58.93 3l4j h ARG 588 Cb 0.56 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.95 3l4j h ARG 588 CO 0.03 0.32 -1.69 0.93 -1.51 0.00 0.00 179.97 178.05 3l4j h GLU 589 N 0.50 0.01 -0.04 0.20 5.08 -1.45 -3.35 114.58 115.53 3l4j h GLU 589 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3l4j h GLU 589 Cb 0.49 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.74 3l4j h GLU 589 CO -0.09 0.52 0.00 0.39 -1.00 0.00 0.00 179.01 178.83 3l4j n GLU 590 N -3.06 0.56 0.00 2.33 1.02 -0.84 -4.84 120.64 115.81 3l4j n GLU 590 Ca -0.16 -1.15 0.00 0.00 -0.02 0.00 0.00 57.16 55.82 3l4j n GLU 590 Cb 1.05 -1.19 0.00 0.00 -0.02 0.00 0.00 31.44 31.28 3l4j n GLU 590 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3l4j n GLU 591 N 0.52 0.09 0.25 3.49 -0.58 0.12 -4.97 120.64 119.55 3l4j n GLU 591 Ca 0.06 0.00 0.09 0.00 -0.42 0.00 0.00 57.16 56.89 3l4j n GLU 591 Cb 0.25 -0.32 0.64 0.00 -0.57 0.00 0.00 31.44 31.45 3l4j n GLU 591 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3l4j h SER 592 N 0.00 0.00 0.84 1.62 4.64 -1.61 -1.95 113.55 117.09 3l4j h SER 592 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3l4j h SER 592 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3l4j h SER 592 CO 0.00 0.12 -0.03 1.12 -0.87 0.00 0.00 176.83 177.17 3l4j h HIS 593 N 0.00 0.00 -0.00 4.77 2.07 -1.89 -2.89 115.15 117.21 3l4j h HIS 593 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3l4j h HIS 593 Cb 0.26 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.24 3l4j h HIS 593 CO 0.00 0.03 -0.06 1.63 -3.07 0.00 0.00 177.93 176.46 3l4j n LYS 594 N -3.16 0.54 -4.38 5.12 5.02 -0.73 -4.88 118.16 115.69 3l4j n LYS 594 Ca -0.00 -0.11 -0.19 0.00 -2.02 0.00 0.00 58.31 55.99 3l4j n LYS 594 Cb 0.28 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.69 3l4j n LYS 594 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3l4j s PHE 595 N -2.54 1.72 -0.30 2.13 0.40 -1.09 -5.02 117.98 113.28 3l4j s PHE 595 Ca 0.28 -1.10 -0.10 0.00 -0.60 0.00 0.00 56.93 55.41 3l4j s PHE 595 Cb 0.20 -1.06 -0.02 0.00 0.51 0.00 0.00 43.02 42.65 3l4j s PHE 595 CO 0.47 -0.21 0.16 0.95 0.70 0.00 0.00 175.22 177.29 3l4j s THR 596 N -3.55 4.74 0.14 0.64 -4.23 -1.26 -5.00 115.64 107.12 3l4j s THR 596 Ca 0.37 -0.27 -0.14 0.00 -1.18 0.00 0.00 61.69 60.46 3l4j s THR 596 Cb 0.08 -3.37 0.02 0.00 1.34 0.00 0.00 72.50 70.57 3l4j s THR 596 CO 0.15 0.13 0.38 -1.66 -0.54 0.00 0.00 174.62 173.07 3l4j s TRP 597 N 1.65 -0.04 0.14 3.99 1.48 -1.26 0.23 118.94 125.13 3l4j s TRP 597 Ca 0.05 -0.31 0.07 0.00 -1.06 0.00 0.00 56.10 54.85 3l4j s TRP 597 Cb -0.17 0.19 -0.04 0.00 -1.16 0.00 0.00 33.47 32.30 3l4j s TRP 597 CO 0.07 -0.73 -0.15 0.21 -4.06 0.00 0.00 176.95 172.29 3l4j s LYS 598 N -3.85 1.11 -0.14 3.25 2.36 -0.86 -4.96 119.74 116.65 3l4j s LYS 598 Ca 0.07 -1.30 0.01 0.00 -2.55 0.00 0.00 55.97 52.19 3l4j s LYS 598 Cb 0.02 -1.05 -0.00 0.00 -1.05 0.00 0.00 37.83 35.75 3l4j s LYS 598 CO -0.08 0.21 -0.17 1.14 1.55 0.00 0.00 175.35 177.99 3l4j s GLN 599 N -2.74 3.19 -0.11 4.03 -2.07 -1.26 -2.42 119.66 118.27 3l4j s GLN 599 Ca 0.11 -0.77 -0.00 0.00 -1.82 0.00 0.00 55.36 52.88 3l4j s GLN 599 Cb -0.05 -2.55 -0.02 0.00 -1.09 0.00 0.00 33.01 29.30 3l4j s GLN 599 CO 0.04 0.07 -0.10 0.15 -1.32 0.00 0.00 175.29 174.12 3l4j s LYS 600 N 0.68 3.22 0.12 9.60 1.02 -0.77 -4.66 119.74 128.96 3l4j s LYS 600 Ca -0.08 -0.63 -0.31 0.00 0.02 0.00 0.00 55.97 54.96 3l4j s LYS 600 Cb -0.16 -2.65 -0.08 0.00 -0.52 0.00 0.00 37.83 34.43 3l4j s LYS 600 CO 0.02 0.35 1.38 -0.47 -0.92 0.00 0.00 175.35 175.71 3l4j s TYR 601 N 0.02 3.24 0.22 3.18 5.04 -1.26 -2.59 117.35 125.20 3l4j s TYR 601 Ca -0.03 0.97 -0.26 0.00 -2.44 0.00 0.00 57.07 55.31 3l4j s TYR 601 Cb -0.14 -3.68 -0.09 0.00 0.35 0.00 0.00 41.96 38.41 3l4j s TYR 601 CO 0.04 -2.35 0.84 -0.47 -1.34 0.00 0.00 175.55 172.26 3l4j s TYR 602 N 1.01 3.87 0.19 4.97 5.04 -1.00 -4.91 117.35 126.52 3l4j s TYR 602 Ca 0.64 1.71 0.08 0.00 -2.44 0.00 0.00 57.07 57.06 3l4j s TYR 602 Cb -0.37 -2.83 -0.04 0.00 0.35 0.00 0.00 41.96 39.06 3l4j s TYR 602 CO 0.31 0.43 -0.15 0.15 -1.34 0.00 0.00 175.55 174.95 3l4j s LYS 603 N -1.39 1.29 0.00 4.97 1.02 -1.26 -5.01 119.74 119.36 3l4j s LYS 603 Ca 0.40 -1.52 0.00 0.00 0.02 0.00 0.00 55.97 54.87 3l4j s LYS 603 Cb -0.22 -1.14 0.00 0.00 -0.52 0.00 0.00 37.83 35.94 3l4j s LYS 603 CO 0.27 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.31 3l4j n GLY 604 N -0.16 2.04 3.74 -3.33 0.00 -1.26 -4.33 105.19 101.89 3l4j n GLY 604 Ca -0.10 -0.46 -0.24 0.00 0.00 0.00 0.00 46.02 45.22 3l4j n GLY 604 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3l4j n LEU 605 N 0.00 -2.29 0.00 0.99 7.94 -1.26 -4.45 117.00 117.93 3l4j n LEU 605 Ca 0.00 -0.91 0.00 0.00 -1.11 0.00 0.00 56.01 53.99 3l4j n LEU 605 Cb 0.00 -1.84 0.00 0.00 0.53 0.00 0.00 43.42 42.11 3l4j n LEU 605 CO 0.00 0.27 0.00 0.61 -1.11 0.00 0.00 177.39 177.16 3l4j n GLY 606 N -1.71 1.07 2.02 -3.96 0.00 -1.25 -1.88 105.19 99.47 3l4j n GLY 606 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3l4j n GLY 606 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3l4j n THR 607 N 0.00 0.00 -0.84 2.61 5.66 -1.26 -4.79 114.28 115.66 3l4j n THR 607 Ca 0.00 0.00 -0.30 0.00 -3.05 0.00 0.00 64.05 60.70 3l4j n THR 607 Cb 0.00 -0.41 -0.02 0.00 -1.55 0.00 0.00 70.33 68.35 3l4j n THR 607 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3l4j n SER 608 N -3.38 -0.62 -4.63 1.09 3.41 -1.26 -4.47 113.62 103.75 3l4j n SER 608 Ca 0.00 0.68 -0.48 0.00 -0.26 0.00 0.00 58.87 58.80 3l4j n SER 608 Cb 0.00 -0.56 -0.05 0.00 -0.26 0.00 0.00 64.21 63.34 3l4j n SER 608 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3l4j n LEU 609 N 1.14 2.47 0.27 1.04 7.94 -1.26 -4.56 117.00 124.04 3l4j n LEU 609 Ca 0.11 1.11 0.17 0.00 -1.11 0.00 0.00 56.01 56.29 3l4j n LEU 609 Cb 0.13 -1.33 0.93 0.00 0.53 0.00 0.00 43.42 43.68 3l4j n LEU 609 CO 0.34 -0.65 1.15 0.00 -1.11 0.00 0.00 177.39 177.11 3l4j h ALA 610 N 5.06 1.54 -0.03 1.96 0.00 -2.00 0.21 119.26 126.01 3l4j h ALA 610 Ca -0.46 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 3l4j h ALA 610 Cb 1.29 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 3l4j h ALA 610 CO 0.82 -0.14 -0.75 -0.56 0.00 0.00 0.00 179.25 178.62 3l4j h GLN 611 N 0.00 0.20 -0.84 0.00 3.07 -1.97 -0.27 115.11 115.31 3l4j h GLN 611 Ca 0.04 -0.18 -0.00 0.00 0.09 0.00 0.00 58.65 58.60 3l4j h GLN 611 Cb 0.24 0.04 -0.04 0.00 0.08 0.00 0.00 27.48 27.80 3l4j h GLN 611 CO -0.00 0.86 0.52 0.93 0.09 0.00 0.00 178.83 181.23 3l4j h GLU 612 N 0.13 1.12 -1.07 0.06 5.08 -0.89 -2.66 114.58 116.36 3l4j h GLU 612 Ca -0.03 -0.09 0.30 0.00 -1.00 0.00 0.00 59.36 58.54 3l4j h GLU 612 Cb 1.32 -0.24 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 3l4j h GLU 612 CO 0.11 0.77 0.66 0.28 -1.00 0.00 0.00 179.01 179.84 3l4j h VAL 613 N 1.14 0.42 0.00 3.13 2.07 -0.76 1.24 116.25 123.50 3l4j h VAL 613 Ca 0.30 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 3l4j h VAL 613 Cb -0.07 0.01 -0.00 0.00 -1.52 0.00 0.00 31.29 29.71 3l4j h VAL 613 CO -0.06 0.07 -0.02 0.03 0.02 0.00 0.00 177.57 177.61 3l4j h ARG 614 N 0.38 0.00 0.02 1.57 3.08 -1.02 -1.85 114.38 116.55 3l4j h ARG 614 Ca 0.67 0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.50 3l4j h ARG 614 Cb 1.63 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.68 3l4j h ARG 614 CO -0.41 0.02 -0.96 0.93 -1.07 0.00 0.00 179.97 178.48 3l4j h GLU 615 N 0.00 0.28 -0.23 0.04 4.39 0.15 -1.24 114.58 117.97 3l4j h GLU 615 Ca -0.00 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.37 3l4j h GLU 615 Cb 0.05 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3l4j h GLU 615 CO 0.00 1.05 0.14 1.88 -1.16 0.00 0.00 179.01 180.92 3l4j h TYR 616 N 0.14 0.30 -0.48 4.33 0.05 -1.09 -2.64 116.97 117.58 3l4j h TYR 616 Ca -0.07 -0.00 -0.11 0.00 0.05 0.00 0.00 58.73 58.60 3l4j h TYR 616 Cb 1.61 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 39.24 3l4j h TYR 616 CO 0.05 0.23 -0.14 0.74 -1.05 0.00 0.00 178.16 177.99 3l4j h PHE 617 N 0.28 1.01 -0.65 4.88 -1.00 -1.56 -2.75 116.94 117.15 3l4j h PHE 617 Ca 0.08 -0.21 0.09 0.00 2.81 0.00 0.00 57.97 60.74 3l4j h PHE 617 Cb 0.02 -0.25 -0.07 0.00 3.61 0.00 0.00 35.95 39.26 3l4j h PHE 617 CO -0.05 0.98 0.29 0.66 -1.61 0.00 0.00 178.31 178.58 3l4j h SER 618 N 0.80 0.35 -3.79 2.17 4.64 -0.95 -3.23 113.55 113.54 3l4j h SER 618 Ca 0.12 0.07 -0.62 0.00 -0.47 0.00 0.00 61.79 60.89 3l4j h SER 618 Cb 0.67 0.02 -0.40 0.00 -0.31 0.00 0.00 62.40 62.38 3l4j h SER 618 CO 0.05 0.20 -0.70 0.54 -0.87 0.00 0.00 176.83 176.05 3l4j s ASN 619 N -5.45 3.88 -0.04 4.97 2.20 -1.02 -4.90 114.94 114.58 3l4j s ASN 619 Ca -0.13 -2.77 0.11 0.00 -0.94 0.00 0.00 52.86 49.13 3l4j s ASN 619 Cb 0.17 -1.24 -0.17 0.00 -2.00 0.00 0.00 41.25 38.01 3l4j s ASN 619 CO 0.75 -0.25 0.20 0.00 -2.94 0.00 0.00 177.10 174.86 3l4j n LEU 620 N 3.38 0.00 0.12 3.54 -0.00 -1.04 -4.13 117.00 118.86 3l4j n LEU 620 Ca 0.08 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.15 3l4j n LEU 620 Cb 0.34 0.07 0.53 0.00 -0.00 0.00 0.00 43.42 44.36 3l4j n LEU 620 CO 0.28 0.07 1.12 0.44 -0.00 0.00 0.00 177.39 179.29 3l4j h ASP 621 N 0.00 0.24 -0.10 1.45 3.32 -1.88 0.40 116.42 119.85 3l4j h ASP 621 Ca -0.07 -0.01 -0.12 0.00 0.02 0.00 0.00 57.03 56.85 3l4j h ASP 621 Cb 0.83 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.30 3l4j h ASP 621 CO 0.00 0.17 -0.32 0.03 -1.72 0.00 0.00 179.24 177.41 3l4j h ARG 622 N 0.28 0.59 -0.00 3.56 3.08 -1.93 -2.79 114.38 117.17 3l4j h ARG 622 Ca 0.09 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.87 3l4j h ARG 622 Cb 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3l4j h ARG 622 CO -0.02 0.84 -0.13 0.72 -1.07 0.00 0.00 179.97 180.31 3l4j n HIS 623 N -4.07 0.00 -3.32 3.04 8.25 0.11 -4.78 115.22 114.45 3l4j n HIS 623 Ca -0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.07 3l4j n HIS 623 Cb 0.47 -0.41 -0.06 0.00 1.12 0.00 0.00 29.99 31.11 3l4j n HIS 623 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3l4j s LEU 624 N -2.95 4.30 -0.03 2.41 1.43 0.42 -1.04 118.68 123.21 3l4j s LEU 624 Ca 0.15 0.84 0.04 0.00 -1.03 0.00 0.00 54.13 54.13 3l4j s LEU 624 Cb 0.19 -2.70 -0.00 0.00 0.03 0.00 0.00 46.19 43.70 3l4j s LEU 624 CO 0.57 0.02 -0.15 -0.54 0.23 0.00 0.00 176.35 176.48 3l4j s LYS 625 N 0.48 1.45 -0.08 1.70 1.02 -0.18 -4.87 119.74 119.25 3l4j s LYS 625 Ca 0.26 -0.52 -0.05 0.00 0.02 0.00 0.00 55.97 55.68 3l4j s LYS 625 Cb -0.15 -1.31 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 3l4j s LYS 625 CO 0.11 0.23 0.13 0.42 -0.92 0.00 0.00 175.35 175.33 3l4j s ILE 626 N -0.02 5.34 -0.20 2.17 1.01 -1.10 -0.62 121.20 127.78 3l4j s ILE 626 Ca -0.01 0.04 -0.22 0.00 0.00 0.00 0.00 60.65 60.46 3l4j s ILE 626 Cb -0.09 -3.37 -0.02 0.00 0.01 0.00 0.00 42.46 38.99 3l4j s ILE 626 CO 0.01 0.53 0.68 -0.36 0.00 0.00 0.00 174.94 175.80 3l4j s PHE 627 N -1.10 3.37 0.32 3.97 0.40 -0.50 -0.60 117.98 123.85 3l4j s PHE 627 Ca 0.18 0.99 -0.29 0.00 -0.60 0.00 0.00 56.93 57.22 3l4j s PHE 627 Cb -0.12 -2.86 -0.11 0.00 0.51 0.00 0.00 43.02 40.44 3l4j s PHE 627 CO 0.08 -0.22 1.41 -1.58 0.70 0.00 0.00 175.22 175.61 3l4j s HIS 628 N 2.08 2.88 0.99 0.36 5.65 0.14 -4.33 115.29 123.06 3l4j s HIS 628 Ca 0.31 1.21 -0.12 0.00 0.25 0.00 0.00 55.06 56.70 3l4j s HIS 628 Cb -0.16 -3.84 0.12 0.00 -1.18 0.00 0.00 32.58 27.52 3l4j s HIS 628 CO 0.10 -2.51 0.74 -1.13 -0.65 0.00 0.00 174.74 171.29 3l4j n SER 629 N 1.13 -1.12 -4.71 9.88 3.41 -1.26 -4.54 113.62 116.41 3l4j n SER 629 Ca 0.02 0.25 -0.43 0.00 -0.26 0.00 0.00 58.87 58.45 3l4j n SER 629 Cb 0.40 -1.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.03 3l4j n SER 629 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3l4j n LEU 630 N -3.02 3.71 -4.51 1.04 4.77 -1.13 -4.93 117.00 112.92 3l4j n LEU 630 Ca 0.08 1.12 -0.25 0.00 -0.03 0.00 0.00 56.01 56.93 3l4j n LEU 630 Cb 0.54 -1.51 -0.09 0.00 -2.33 0.00 0.00 43.42 40.03 3l4j n LEU 630 CO 0.51 -0.10 -0.23 -1.10 -1.33 0.00 0.00 177.39 175.14 3l4j s GLN 631 N 0.08 1.85 0.04 3.23 -0.21 -1.26 -4.93 119.66 118.46 3l4j s GLN 631 Ca 0.70 -2.10 -0.37 0.00 0.02 0.00 0.00 55.36 53.61 3l4j s GLN 631 Cb -0.57 -0.77 -0.17 0.00 1.00 0.00 0.00 33.01 32.50 3l4j s GLN 631 CO 0.44 -0.37 1.37 0.41 -2.12 0.00 0.00 175.29 175.03 3l4j n GLY 632 N -0.86 0.48 2.44 3.09 0.00 -1.26 -1.00 105.19 108.08 3l4j n GLY 632 Ca -0.06 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.69 3l4j n GLY 632 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3l4j n ASN 633 N 2.78 -2.94 0.12 1.61 4.13 -1.26 -4.88 115.26 114.81 3l4j n ASN 633 Ca 0.19 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.22 3l4j n ASN 633 Cb 0.18 -1.07 -0.15 0.00 -1.54 0.00 0.00 39.78 37.19 3l4j n ASN 633 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3l4j h ASP 634 N 0.00 0.72 0.03 6.41 5.19 -1.48 -3.05 116.42 124.24 3l4j h ASP 634 Ca 0.00 -0.86 -0.15 0.00 -0.62 0.00 0.00 57.03 55.40 3l4j h ASP 634 Cb 0.19 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 3l4j h ASP 634 CO 0.00 1.69 -0.50 0.11 -3.12 0.00 0.00 179.24 177.42 3l4j h LYS 635 N 0.13 0.52 -0.41 3.56 1.57 -1.90 -2.69 116.57 117.35 3l4j h LYS 635 Ca -0.27 -0.31 -0.06 0.00 -1.87 0.00 0.00 60.65 58.14 3l4j h LYS 635 Cb 2.13 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 34.45 3l4j h LYS 635 CO 0.24 0.90 0.01 -0.44 -0.57 0.00 0.00 179.45 179.59 3l4j h ASP 636 N 0.41 0.69 -0.59 0.86 3.32 -1.94 -2.74 116.42 116.45 3l4j h ASP 636 Ca 0.02 -0.30 -0.05 0.00 0.02 0.00 0.00 57.03 56.72 3l4j h ASP 636 Cb 1.02 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 40.36 3l4j h ASP 636 CO 0.09 0.82 0.18 1.88 -1.72 0.00 0.00 179.24 180.50 3l4j h TYR 637 N 0.54 0.98 -0.56 4.55 -1.99 -1.55 -0.40 116.97 118.55 3l4j h TYR 637 Ca 0.12 -0.09 0.01 0.00 2.00 0.00 0.00 58.73 60.76 3l4j h TYR 637 Cb 0.46 -0.29 -0.03 0.00 2.00 0.00 0.00 36.73 38.88 3l4j h TYR 637 CO 0.04 0.79 0.37 0.82 -0.00 0.00 0.00 178.16 180.17 3l4j h ILE 638 N 0.92 1.14 -0.28 -2.88 2.04 -1.46 -2.24 117.51 114.76 3l4j h ILE 638 Ca 0.20 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 3l4j h ILE 638 Cb 0.28 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3l4j h ILE 638 CO -0.01 0.14 -0.03 -0.78 0.00 0.00 0.00 178.15 177.47 3l4j h ASP 639 N 0.75 0.52 -0.85 1.72 -0.00 -1.16 -1.07 116.42 116.33 3l4j h ASP 639 Ca 0.20 -0.33 0.19 0.00 -0.00 0.00 0.00 57.03 57.09 3l4j h ASP 639 Cb -0.08 -0.14 -0.11 0.00 -0.00 0.00 0.00 39.33 38.99 3l4j h ASP 639 CO -0.04 0.73 0.36 0.25 -0.00 0.00 0.00 179.24 180.53 3l4j h LEU 640 N 0.29 0.31 0.10 2.28 5.85 -0.96 0.29 115.31 123.48 3l4j h LEU 640 Ca 0.08 0.14 -0.25 0.00 0.84 0.00 0.00 57.88 58.68 3l4j h LEU 640 Cb 0.48 0.12 0.03 0.00 0.37 0.00 0.00 40.66 41.65 3l4j h LEU 640 CO 0.02 0.04 -1.04 0.00 -0.34 0.00 0.00 178.44 177.12 3l4j h ALA 641 N 1.65 -0.01 -0.13 1.25 0.00 -1.10 -3.39 119.26 117.53 3l4j h ALA 641 Ca 0.51 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3l4j h ALA 641 Cb 0.89 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3l4j h ALA 641 CO -0.48 0.56 0.00 1.19 0.00 0.00 0.00 179.25 180.52 3l4j n PHE 642 N -3.94 0.16 -2.94 0.00 3.01 -0.43 -4.99 117.46 108.34 3l4j n PHE 642 Ca -0.13 -0.21 -0.42 0.00 1.01 0.00 0.00 57.45 57.70 3l4j n PHE 642 Cb 0.90 -0.01 -0.05 0.00 -0.01 0.00 0.00 39.48 40.30 3l4j n PHE 642 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3l4j s SER 643 N -0.87 6.63 0.00 4.37 0.15 1.00 -4.88 113.70 120.11 3l4j s SER 643 Ca 0.14 0.57 0.00 0.00 0.70 0.00 0.00 55.95 57.37 3l4j s SER 643 Cb 0.09 -2.41 0.01 0.00 -1.71 0.00 0.00 66.02 62.00 3l4j s SER 643 CO 0.12 -0.67 0.90 0.29 1.20 0.00 0.00 173.24 175.09 3l4j n LYS 644 N 6.31 0.00 -0.07 5.44 5.02 -1.26 -1.29 118.16 132.31 3l4j n LYS 644 Ca 0.04 0.40 0.12 0.00 -2.02 0.00 0.00 58.31 56.85 3l4j n LYS 644 Cb 0.48 -1.61 0.23 0.00 -0.02 0.00 0.00 35.03 34.11 3l4j n LYS 644 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3l4j n LYS 645 N -1.41 2.24 -0.97 1.97 5.02 -1.26 -4.48 118.16 119.26 3l4j n LYS 645 Ca -0.00 -1.83 0.02 0.00 -2.02 0.00 0.00 58.31 54.48 3l4j n LYS 645 Cb 0.11 -1.47 0.15 0.00 -0.02 0.00 0.00 35.03 33.79 3l4j n LYS 645 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3l4j n LYS 646 N 1.13 1.54 -0.36 1.97 5.02 -0.41 -4.81 118.16 122.23 3l4j n LYS 646 Ca 0.17 -3.18 0.02 0.00 -2.02 0.00 0.00 58.31 53.30 3l4j n LYS 646 Cb 0.54 -1.41 0.17 0.00 -0.02 0.00 0.00 35.03 34.31 3l4j n LYS 646 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3l4j h ALA 647 N 1.17 1.37 -0.74 7.82 0.00 -1.78 -2.29 119.26 124.81 3l4j h ALA 647 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3l4j h ALA 647 Cb 1.22 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 3l4j h ALA 647 CO 0.11 0.43 0.28 -0.44 0.00 0.00 0.00 179.25 179.62 3l4j h ASP 648 N 1.15 1.03 -0.23 0.00 3.32 -1.87 -2.74 116.42 117.07 3l4j h ASP 648 Ca 0.42 -0.16 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 3l4j h ASP 648 Cb 0.16 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3l4j h ASP 648 CO -0.17 0.92 0.08 0.44 -1.72 0.00 0.00 179.24 178.79 3l4j h ASP 649 N 1.08 0.33 -0.99 6.45 3.32 -1.80 -2.76 116.42 122.05 3l4j h ASP 649 Ca 0.25 -0.19 0.17 0.00 0.02 0.00 0.00 57.03 57.28 3l4j h ASP 649 Cb 0.23 -0.09 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 3l4j h ASP 649 CO -0.02 0.44 0.62 0.03 -1.72 0.00 0.00 179.24 178.58 3l4j h ARG 650 N 0.21 0.77 -0.45 3.56 3.08 -1.30 0.39 114.38 120.65 3l4j h ARG 650 Ca 0.08 -0.05 0.07 0.00 0.07 0.00 0.00 59.98 60.15 3l4j h ARG 650 Cb 0.22 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.03 3l4j h ARG 650 CO -0.00 0.51 0.11 0.87 -1.07 0.00 0.00 179.97 180.38 3l4j h LYS 651 N 0.79 0.24 -0.37 0.04 1.57 -1.19 -1.09 116.57 116.56 3l4j h LYS 651 Ca 0.54 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 59.23 3l4j h LYS 651 Cb 0.81 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 3l4j h LYS 651 CO -0.32 0.16 -0.06 1.49 -0.57 0.00 0.00 179.45 180.15 3l4j h GLU 652 N 0.25 0.70 -0.97 3.15 4.57 -0.84 -2.86 114.58 118.58 3l4j h GLU 652 Ca 0.22 -0.25 0.23 0.00 -1.18 0.00 0.00 59.36 58.38 3l4j h GLU 652 Cb 0.26 -0.05 -0.07 0.00 -0.16 0.00 0.00 28.75 28.73 3l4j h GLU 652 CO -0.27 0.83 0.64 2.35 -1.18 0.00 0.00 179.01 181.38 3l4j h TRP 653 N 0.50 0.53 0.01 0.92 7.01 0.24 -0.17 115.95 125.00 3l4j h TRP 653 Ca 0.10 0.02 -0.24 0.00 2.11 0.00 0.00 58.89 60.87 3l4j h TRP 653 Cb 0.56 -0.16 -0.03 0.00 -2.10 0.00 0.00 29.16 27.42 3l4j h TRP 653 CO 0.05 0.10 -1.26 -0.07 -2.79 0.00 0.00 178.44 174.47 3l4j h LEU 654 N 0.37 0.04 -0.73 0.65 3.38 -1.14 -2.97 115.31 114.91 3l4j h LEU 654 Ca 0.52 -0.05 -0.09 0.00 0.09 0.00 0.00 57.88 58.35 3l4j h LEU 654 Cb 1.37 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.08 3l4j h LEU 654 CO -0.20 1.04 0.03 0.03 0.09 0.00 0.00 178.44 179.43 3l4j h ARG 655 N 0.01 1.01 -0.41 1.13 3.08 -0.96 -3.11 114.38 115.12 3l4j h ARG 655 Ca -0.11 -0.29 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 3l4j h ARG 655 Cb 1.87 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 31.79 3l4j h ARG 655 CO 0.12 0.97 0.10 1.96 -1.07 0.00 0.00 179.97 182.05 3l4j h GLN 656 N 0.93 0.66 -5.59 0.04 1.08 -1.09 -3.45 115.11 107.68 3l4j h GLN 656 Ca 0.17 -0.16 -0.61 0.00 -1.45 0.00 0.00 58.65 56.60 3l4j h GLN 656 Cb 0.50 -0.09 0.11 0.00 -0.05 0.00 0.00 27.48 27.96 3l4j h GLN 656 CO 0.02 0.68 -0.59 0.98 -0.95 0.00 0.00 178.83 178.97 3l4j n TYR 657 N -4.55 -0.83 -4.07 2.96 9.36 -1.12 -4.94 117.16 113.98 3l4j n TYR 657 Ca -0.00 0.83 -0.33 0.00 3.32 0.00 0.00 57.90 61.71 3l4j n TYR 657 Cb 0.21 -1.79 -0.15 0.00 -0.63 0.00 0.00 39.34 36.98 3l4j n TYR 657 CO 0.00 0.00 0.00 -2.00 0.22 0.00 0.00 176.86 175.08 3l4j s GLU 658 N -0.93 2.97 0.27 2.98 2.12 -1.26 -5.04 118.70 119.81 3l4j s GLU 658 Ca 0.59 -0.86 -0.28 0.00 0.36 0.00 0.00 54.97 54.78 3l4j s GLU 658 Cb -0.80 -2.70 -0.15 0.00 0.26 0.00 0.00 34.13 30.74 3l4j s GLU 658 CO 0.54 -0.25 0.88 -2.30 -0.54 0.00 0.00 175.26 173.59 3l4j n PRO 659 N 4.64 1.01 -0.54 4.30 -0.02 -1.26 -1.25 135.00 141.87 3l4j n PRO 659 Ca -0.20 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 3l4j n PRO 659 Cb 0.49 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 3l4j n PRO 659 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3l4j n GLY 660 N 1.41 0.99 3.48 -1.23 0.00 -1.26 -4.98 105.19 103.60 3l4j n GLY 660 Ca 0.12 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 3l4j n GLY 660 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3l4j s THR 661 N -3.19 4.24 0.06 2.61 2.01 -0.38 -4.96 115.64 116.03 3l4j s THR 661 Ca 0.00 -0.15 0.02 0.00 0.31 0.00 0.00 61.69 61.87 3l4j s THR 661 Cb 0.00 -4.70 -0.03 0.00 0.01 0.00 0.00 72.50 67.78 3l4j s THR 661 CO 0.00 -1.48 -0.08 -0.69 -0.69 0.00 0.00 174.62 171.69 3l4j s VAL 662 N 4.32 0.61 0.31 3.82 1.01 -1.26 -4.78 120.40 124.43 3l4j s VAL 662 Ca 0.25 -1.38 -0.29 0.00 0.00 0.00 0.00 61.98 60.56 3l4j s VAL 662 Cb -0.15 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.14 3l4j s VAL 662 CO 0.12 -0.54 1.32 -0.22 0.00 0.00 0.00 175.10 175.78 3l4j s LEU 663 N -2.08 4.42 -0.19 3.92 2.96 -1.26 -4.91 118.68 121.54 3l4j s LEU 663 Ca -0.02 2.67 -0.28 0.00 -0.22 0.00 0.00 54.13 56.27 3l4j s LEU 663 Cb -0.05 -3.64 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 3l4j s LEU 663 CO -0.01 -0.55 2.14 -1.81 -1.32 0.00 0.00 176.35 174.79 3l4j s ASP 664 N -0.32 5.66 0.41 3.68 1.01 -1.26 -4.87 116.67 120.98 3l4j s ASP 664 Ca 0.51 1.97 0.25 0.00 0.71 0.00 0.00 52.55 55.98 3l4j s ASP 664 Cb -0.40 -2.52 1.31 0.00 1.01 0.00 0.00 42.92 42.33 3l4j s ASP 664 CO 0.51 -1.79 1.65 -0.65 0.21 0.00 0.00 175.17 175.10 3l4j h PRO 665 N 14.14 0.16 -3.26 8.23 0.11 -1.97 -3.25 132.00 146.17 3l4j h PRO 665 Ca -0.42 -0.01 -0.63 0.00 0.11 0.00 0.00 66.00 65.05 3l4j h PRO 665 Cb 1.23 -0.04 -0.41 0.00 0.11 0.00 0.00 31.00 31.89 3l4j h PRO 665 CO 0.96 0.11 -0.62 0.95 -0.21 0.00 0.00 178.00 179.19 3l4j s THR 666 N -5.41 2.59 0.00 -1.15 -4.23 -1.26 -4.82 115.64 101.37 3l4j s THR 666 Ca -0.08 -3.57 0.00 0.00 -1.18 0.00 0.00 61.69 56.86 3l4j s THR 666 Cb 0.29 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3l4j s THR 666 CO 0.81 -0.87 0.00 0.18 -0.54 0.00 0.00 174.62 174.20 3l4j n LEU 667 N 2.78 1.17 0.00 4.79 4.77 -1.23 -5.02 117.00 124.26 3l4j n LEU 667 Ca 0.10 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3l4j n LEU 667 Cb 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 3l4j n LEU 667 CO 0.31 0.20 0.00 1.17 -1.33 0.00 0.00 177.39 177.74 3l4j n LYS 668 N -1.87 -0.03 -3.69 3.23 3.00 -1.26 -4.89 118.16 112.64 3l4j n LYS 668 Ca 0.00 0.01 -0.14 0.00 -0.00 0.00 0.00 58.31 58.17 3l4j n LYS 668 Cb 0.21 -2.89 -0.14 0.00 0.00 0.00 0.00 35.03 32.20 3l4j n LYS 668 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3l4j s GLU 669 N -0.19 0.11 -0.18 1.64 0.41 -1.26 -2.71 118.70 116.52 3l4j s GLU 669 Ca 0.00 0.57 0.01 0.00 -0.41 0.00 0.00 54.97 55.13 3l4j s GLU 669 Cb 0.00 -0.16 0.02 0.00 -1.78 0.00 0.00 34.13 32.21 3l4j s GLU 669 CO 0.00 -0.25 -0.18 0.42 -0.49 0.00 0.00 175.26 174.76 3l4j s ILE 670 N 1.90 1.95 0.06 -1.63 1.01 0.23 -4.95 121.20 119.78 3l4j s ILE 670 Ca -0.02 -0.90 -0.30 0.00 0.00 0.00 0.00 60.65 59.43 3l4j s ILE 670 Cb -0.12 -1.79 -0.05 0.00 0.01 0.00 0.00 42.46 40.52 3l4j s ILE 670 CO -0.07 0.50 1.04 -2.84 0.00 0.00 0.00 174.94 173.57 3l4j s PRO 671 N 1.33 4.57 0.24 2.79 0.02 -1.26 -0.68 135.00 142.01 3l4j s PRO 671 Ca 0.04 1.55 -0.04 0.00 0.02 0.00 0.00 61.00 62.58 3l4j s PRO 671 Cb -0.13 -3.39 0.45 0.00 0.02 0.00 0.00 34.50 31.45 3l4j s PRO 671 CO -0.12 -0.02 1.75 0.82 -0.33 0.00 0.00 177.00 179.10 3l4j h ILE 672 N 4.40 0.73 -0.97 2.83 2.04 -1.92 -1.10 117.51 123.52 3l4j h ILE 672 Ca -0.42 -0.19 0.19 0.00 1.00 0.00 0.00 64.86 65.44 3l4j h ILE 672 Cb 1.22 0.14 -0.11 0.00 -0.74 0.00 0.00 36.82 37.33 3l4j h ILE 672 CO 0.75 0.10 0.57 0.77 0.00 0.00 0.00 178.15 180.34 3l4j h SER 673 N 0.54 0.71 0.11 1.72 4.64 -1.87 -0.56 113.55 118.84 3l4j h SER 673 Ca 0.41 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.83 3l4j h SER 673 Cb 0.56 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 3l4j h SER 673 CO -0.35 0.24 -0.78 -0.90 -0.87 0.00 0.00 176.83 174.16 3l4j n ASP 674 N -4.81 1.05 -0.03 4.97 5.68 -0.84 -2.33 116.55 120.23 3l4j n ASP 674 Ca 0.22 -0.91 0.00 0.00 -0.50 0.00 0.00 54.79 53.61 3l4j n ASP 674 Cb 0.56 0.72 0.31 0.00 -1.14 0.00 0.00 41.12 41.58 3l4j n ASP 674 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3l4j h PHE 675 N 0.41 0.60 0.17 2.11 3.04 0.10 0.21 116.94 123.59 3l4j h PHE 675 Ca 0.00 -0.04 -0.29 0.00 3.98 0.00 0.00 57.97 61.62 3l4j h PHE 675 Cb 0.54 -0.18 0.03 0.00 2.56 0.00 0.00 35.95 38.90 3l4j h PHE 675 CO 0.00 0.52 -1.25 0.82 -2.02 0.00 0.00 178.31 176.38 3l4j h ILE 676 N 0.59 1.32 -0.01 1.41 2.04 -1.23 0.64 117.51 122.27 3l4j h ILE 676 Ca 0.14 -2.55 0.00 0.00 1.00 0.00 0.00 64.86 63.45 3l4j h ILE 676 Cb 0.21 2.90 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 3l4j h ILE 676 CO -0.01 0.76 -0.24 0.59 0.00 0.00 0.00 178.15 179.26 3l4j n ASN 677 N -3.83 0.99 0.00 1.72 5.03 -0.98 -1.56 115.26 116.63 3l4j n ASN 677 Ca -0.15 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.42 3l4j n ASN 677 Cb 1.00 0.11 0.00 0.00 -1.02 0.00 0.00 39.78 39.87 3l4j n ASN 677 CO 0.00 0.00 0.00 0.29 -1.83 0.00 0.00 177.26 175.72 3l4j n LYS 678 N -0.65 2.10 0.02 3.52 5.02 0.74 -4.78 118.16 124.13 3l4j n LYS 678 Ca 0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.41 3l4j n LYS 678 Cb 0.34 -0.80 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 3l4j n LYS 678 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3l4j n GLU 679 N -1.01 0.00 -0.06 1.97 2.13 -0.47 -4.06 120.64 119.14 3l4j n GLU 679 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 3l4j n GLU 679 Cb 0.00 -0.47 -0.03 0.00 0.27 0.00 0.00 31.44 31.21 3l4j n GLU 679 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 3l4j h LEU 680 N 0.00 0.25 -1.97 4.31 5.85 -0.98 -1.66 115.31 121.11 3l4j h LEU 680 Ca 0.00 -0.00 0.25 0.00 0.84 0.00 0.00 57.88 58.97 3l4j h LEU 680 Cb 0.60 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 3l4j h LEU 680 CO 0.00 0.19 0.63 -0.29 -0.34 0.00 0.00 178.44 178.62 3l4j h ILE 681 N 0.31 0.57 -0.35 4.05 2.10 -1.53 0.80 117.51 123.46 3l4j h ILE 681 Ca 0.09 -0.01 -0.03 0.00 1.08 0.00 0.00 64.86 65.99 3l4j h ILE 681 Cb -0.03 0.55 -0.01 0.00 -1.09 0.00 0.00 36.82 36.24 3l4j h ILE 681 CO -0.03 0.00 0.10 -0.07 -1.08 0.00 0.00 178.15 177.07 3l4j h LEU 682 N 0.02 0.52 -0.49 2.19 3.38 -1.57 -0.21 115.31 119.15 3l4j h LEU 682 Ca 0.42 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.20 3l4j h LEU 682 Cb 1.64 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.22 3l4j h LEU 682 CO -0.01 0.60 0.28 0.15 0.09 0.00 0.00 178.44 179.55 3l4j h PHE 683 N 0.41 0.52 -0.38 1.13 3.04 -0.82 -1.40 116.94 119.43 3l4j h PHE 683 Ca 0.11 0.02 0.03 0.00 3.98 0.00 0.00 57.97 62.11 3l4j h PHE 683 Cb 0.28 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.59 3l4j h PHE 683 CO 0.01 0.29 0.18 0.77 -2.02 0.00 0.00 178.31 177.54 3l4j h SER 684 N 0.56 0.25 -0.57 0.41 0.02 -0.95 1.24 113.55 114.51 3l4j h SER 684 Ca 0.20 0.02 0.03 0.00 -0.84 0.00 0.00 61.79 61.20 3l4j h SER 684 Cb 0.04 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 3l4j h SER 684 CO -0.10 0.18 0.34 -0.07 -1.14 0.00 0.00 176.83 176.04 3l4j h LEU 685 N 0.37 0.55 -1.24 5.07 3.38 -0.91 -1.65 115.31 120.88 3l4j h LEU 685 Ca 0.17 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.06 3l4j h LEU 685 Cb 0.09 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3l4j h LEU 685 CO -0.13 0.38 -0.38 0.00 0.09 0.00 0.00 178.44 178.40 3l4j h ALA 686 N 1.26 1.33 0.02 1.53 0.00 -0.08 -2.47 119.26 120.84 3l4j h ALA 686 Ca 0.23 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 3l4j h ALA 686 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3l4j h ALA 686 CO -0.11 0.47 -0.01 0.22 0.00 0.00 0.00 179.25 179.83 3l4j h ASP 687 N 0.00 -0.02 -0.11 0.00 3.58 0.24 -2.73 116.42 117.38 3l4j h ASP 687 Ca -0.00 -0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.33 3l4j h ASP 687 Cb 0.69 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.73 3l4j h ASP 687 CO 0.05 0.02 -0.17 0.78 -2.88 0.00 0.00 179.24 177.04 3l4j h ASN 688 N -0.06 0.48 -0.75 2.28 2.35 -1.26 -2.32 115.58 116.30 3l4j h ASN 688 Ca -0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.60 3l4j h ASN 688 Cb 0.05 -0.13 -0.04 0.00 0.05 0.00 0.00 38.32 38.26 3l4j h ASN 688 CO 0.00 0.67 0.45 0.40 -1.65 0.00 0.00 177.43 177.30 3l4j h ILE 689 N 0.45 1.22 0.00 2.81 2.04 -1.25 -0.61 117.51 122.17 3l4j h ILE 689 Ca 0.08 -0.49 0.00 0.00 1.00 0.00 0.00 64.86 65.44 3l4j h ILE 689 Cb 0.56 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 3l4j h ILE 689 CO 0.04 0.23 -0.88 -2.11 0.00 0.00 0.00 178.15 175.43 3l4j n ARG 690 N -4.38 0.37 -0.04 2.37 1.85 -1.05 -4.33 116.66 111.46 3l4j n ARG 690 Ca 0.08 0.06 0.01 0.00 -1.00 0.00 0.00 57.85 56.99 3l4j n ARG 690 Cb 0.08 -1.68 -0.13 0.00 -1.05 0.00 0.00 32.46 29.68 3l4j n ARG 690 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 3l4j n SER 691 N -2.19 1.19 -4.40 2.89 7.64 -0.89 -4.62 113.62 113.24 3l4j n SER 691 Ca 0.02 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.57 3l4j n SER 691 Cb 0.47 1.34 -0.14 0.00 -1.01 0.00 0.00 64.21 64.87 3l4j n SER 691 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3l4j s ILE 692 N -2.79 2.92 0.67 0.44 1.01 -0.26 -4.31 121.20 118.89 3l4j s ILE 692 Ca -0.07 -0.74 -0.10 0.00 0.00 0.00 0.00 60.65 59.74 3l4j s ILE 692 Cb 0.08 -2.18 0.01 0.00 0.01 0.00 0.00 42.46 40.38 3l4j s ILE 692 CO 0.67 0.56 1.05 -2.16 0.00 0.00 0.00 174.94 175.05 3l4j s PRO 693 N -0.12 2.96 0.27 2.79 0.04 -1.26 -4.72 135.00 134.96 3l4j s PRO 693 Ca -0.02 0.39 -0.24 0.00 0.04 0.00 0.00 61.00 61.17 3l4j s PRO 693 Cb -0.14 -2.08 -0.09 0.00 0.04 0.00 0.00 34.50 32.23 3l4j s PRO 693 CO 0.04 -0.90 0.86 1.21 0.04 0.00 0.00 177.00 178.24 3l4j s ASN 694 N -4.33 7.28 0.53 6.66 3.84 -0.68 -1.70 114.94 126.55 3l4j s ASN 694 Ca 0.57 1.69 0.31 0.00 0.21 0.00 0.00 52.86 55.64 3l4j s ASN 694 Cb -0.11 -2.52 1.42 0.00 -0.55 0.00 0.00 41.25 39.49 3l4j s ASN 694 CO 0.51 0.02 2.02 1.62 -2.79 0.00 0.00 177.10 178.48 3l4j h VAL 695 N 2.78 0.32 0.14 -5.21 3.04 -1.07 0.13 116.25 116.39 3l4j h VAL 695 Ca -0.47 -0.60 -0.19 0.00 -1.01 0.00 0.00 66.70 64.42 3l4j h VAL 695 Cb 1.19 1.45 0.02 0.00 -2.01 0.00 0.00 31.29 31.95 3l4j h VAL 695 CO 0.65 0.09 -0.85 -0.07 -1.01 0.00 0.00 177.57 176.39 3l4j h LEU 696 N 0.00 0.50 -0.43 3.16 3.38 -1.89 -3.38 115.31 116.65 3l4j h LEU 696 Ca -0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 3l4j h LEU 696 Cb 0.45 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3l4j h LEU 696 CO 0.01 1.41 -0.20 -0.90 0.09 0.00 0.00 178.44 178.85 3l4j n ASP 697 N -4.10 0.74 -1.52 -0.43 5.68 -1.23 -4.39 116.55 111.30 3l4j n ASP 697 Ca -0.14 -0.87 -0.15 0.00 -0.50 0.00 0.00 54.79 53.13 3l4j n ASP 697 Cb 0.83 0.66 -0.03 0.00 -1.14 0.00 0.00 41.12 41.45 3l4j n ASP 697 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3l4j n GLY 698 N 0.90 0.46 3.74 6.12 0.00 0.03 -4.23 105.19 112.20 3l4j n GLY 698 Ca 0.02 -0.27 -0.34 0.00 0.00 0.00 0.00 46.02 45.44 3l4j n GLY 698 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3l4j s PHE 699 N -2.69 3.23 0.36 1.61 0.08 -1.25 -4.80 117.98 114.52 3l4j s PHE 699 Ca 0.00 0.21 -0.10 0.00 0.12 0.00 0.00 56.93 57.16 3l4j s PHE 699 Cb 0.00 -1.76 -0.07 0.00 -0.57 0.00 0.00 43.02 40.62 3l4j s PHE 699 CO 0.00 0.52 0.70 0.15 -0.10 0.00 0.00 175.22 176.50 3l4j s LYS 700 N -1.33 3.78 0.27 0.44 1.02 -1.26 -1.68 119.74 120.98 3l4j s LYS 700 Ca 0.18 0.38 -0.00 0.00 0.02 0.00 0.00 55.97 56.55 3l4j s LYS 700 Cb -0.12 -2.47 0.59 0.00 -0.52 0.00 0.00 37.83 35.31 3l4j s LYS 700 CO 0.08 0.07 1.72 -1.35 -0.92 0.00 0.00 175.35 174.94 3l4j h PRO 701 N 1.57 0.43 -0.49 -1.68 0.11 -1.82 0.22 132.00 130.34 3l4j h PRO 701 Ca -0.47 -0.03 0.08 0.00 0.11 0.00 0.00 66.00 65.69 3l4j h PRO 701 Cb 1.18 -0.10 -0.06 0.00 0.11 0.00 0.00 31.00 32.13 3l4j h PRO 701 CO 0.65 0.28 0.12 0.78 -0.21 0.00 0.00 178.00 179.62 3l4j h GLY 702 N 0.44 0.61 1.03 -0.55 0.00 -1.93 -0.99 103.07 101.68 3l4j h GLY 702 Ca 0.49 -0.04 -0.05 0.00 0.00 0.00 0.00 47.33 47.72 3l4j h GLY 702 CO -0.46 -0.04 0.20 1.46 0.00 0.00 0.00 176.54 177.70 3l4j h GLN 703 N 0.27 1.04 -0.16 4.80 4.20 -1.37 -2.60 115.11 121.29 3l4j h GLN 703 Ca 0.24 -0.23 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3l4j h GLN 703 Cb 0.30 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3l4j h GLN 703 CO -0.30 0.91 -0.21 -0.09 -0.67 0.00 0.00 178.83 178.48 3l4j h ARG 704 N 0.98 0.28 -0.50 1.46 2.43 -0.75 -1.89 114.38 116.39 3l4j h ARG 704 Ca 0.22 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.17 3l4j h ARG 704 Cb 0.30 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.81 3l4j h ARG 704 CO -0.01 0.48 -0.19 0.87 -1.51 0.00 0.00 179.97 179.61 3l4j h LYS 705 N 0.26 1.01 0.07 0.20 1.57 -0.97 -1.29 116.57 117.41 3l4j h LYS 705 Ca 0.04 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.41 3l4j h LYS 705 Cb 0.51 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.78 3l4j h LYS 705 CO 0.03 1.10 -0.05 0.28 -0.57 0.00 0.00 179.45 180.24 3l4j h VAL 706 N 0.87 0.88 -0.64 0.50 2.07 -1.00 0.05 116.25 118.99 3l4j h VAL 706 Ca 0.12 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.59 3l4j h VAL 706 Cb 0.77 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 3l4j h VAL 706 CO 0.06 0.00 0.21 -0.07 0.02 0.00 0.00 177.57 177.80 3l4j h LEU 707 N -0.13 0.92 -0.14 2.57 3.38 -1.35 -0.36 115.31 120.20 3l4j h LEU 707 Ca -0.00 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.80 3l4j h LEU 707 Cb 0.12 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.59 3l4j h LEU 707 CO -0.00 0.87 -0.07 0.22 0.09 0.00 0.00 178.44 179.55 3l4j h TYR 708 N 0.91 -0.16 -0.70 1.13 3.20 -1.14 -0.45 116.97 119.77 3l4j h TYR 708 Ca 0.21 0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.17 3l4j h TYR 708 Cb 0.27 0.09 -0.07 0.00 1.54 0.00 0.00 36.73 38.57 3l4j h TYR 708 CO 0.02 -0.11 0.36 0.78 -1.64 0.00 0.00 178.16 177.57 3l4j h GLY 709 N -0.05 1.04 2.00 1.82 0.00 -0.65 0.17 103.07 107.40 3l4j h GLY 709 Ca 0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.15 3l4j h GLY 709 CO -0.18 0.09 -0.13 0.00 0.00 0.00 0.00 176.54 176.33 3l4j h PHE 711 N 0.00 0.55 0.30 0.00 0.04 0.36 -3.23 116.94 114.96 3l4j h PHE 711 Ca -0.00 -0.40 -0.00 0.00 2.80 0.00 0.00 57.97 60.37 3l4j h PHE 711 Cb 0.47 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.57 3l4j h PHE 711 CO 0.00 1.30 -0.39 -0.22 -0.60 0.00 0.00 178.31 178.40 3l4j h LYS 712 N -0.35 -0.68 -7.27 1.51 3.64 -0.33 -3.40 116.57 109.69 3l4j h LYS 712 Ca -0.14 0.05 -0.52 0.00 -1.27 0.00 0.00 60.65 58.77 3l4j h LYS 712 Cb 1.62 0.16 0.14 0.00 -0.41 0.00 0.00 32.23 33.74 3l4j h LYS 712 CO 0.15 -0.46 0.32 0.21 -2.27 0.00 0.00 179.45 177.40 3l4j s LYS 713 N -5.14 2.09 -0.54 1.90 2.20 -0.42 -4.98 119.74 114.86 3l4j s LYS 713 Ca -0.13 1.34 -0.17 0.00 -0.36 0.00 0.00 55.97 56.65 3l4j s LYS 713 Cb 0.04 -1.87 0.11 0.00 -1.51 0.00 0.00 37.83 34.60 3l4j s LYS 713 CO 0.46 -1.79 0.54 -0.80 -0.36 0.00 0.00 175.35 173.40 3l4j s ASN 714 N -2.98 6.18 -0.96 1.43 0.01 -1.26 -4.71 114.94 112.65 3l4j s ASN 714 Ca 0.64 -1.54 -0.01 0.00 -0.71 0.00 0.00 52.86 51.24 3l4j s ASN 714 Cb -0.20 -2.23 0.31 0.00 0.41 0.00 0.00 41.25 39.54 3l4j s ASN 714 CO 0.53 -0.89 1.54 -0.11 -1.51 0.00 0.00 177.10 176.66 3l4j n LEU 715 N 5.58 6.47 -0.09 0.60 7.94 -1.22 -4.27 117.00 132.02 3l4j n LEU 715 Ca -0.12 -5.38 -0.09 0.00 -1.11 0.00 0.00 56.01 49.31 3l4j n LEU 715 Cb 0.42 -1.08 -0.13 0.00 0.53 0.00 0.00 43.42 43.15 3l4j n LEU 715 CO 0.54 1.99 -1.07 0.29 -1.11 0.00 0.00 177.39 178.02 3l4j n LYS 716 N 0.37 1.14 -4.04 1.96 4.76 -1.26 -0.42 118.16 120.67 3l4j n LYS 716 Ca 0.38 -0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.45 3l4j n LYS 716 Cb 0.31 -1.44 -0.07 0.00 -1.84 0.00 0.00 35.03 31.98 3l4j n LYS 716 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 3l4j s SER 717 N -5.19 5.99 0.54 4.39 1.04 -1.26 -4.78 113.70 114.43 3l4j s SER 717 Ca -0.10 0.35 -0.19 0.00 0.48 0.00 0.00 55.95 56.49 3l4j s SER 717 Cb 0.05 -1.88 -0.06 0.00 0.10 0.00 0.00 66.02 64.24 3l4j s SER 717 CO 0.70 0.39 1.08 -1.83 0.98 0.00 0.00 173.24 174.55 3l4j s GLU 718 N -0.90 3.49 0.14 4.02 -1.05 -1.26 -4.84 118.70 118.29 3l4j s GLU 718 Ca 0.14 1.42 -0.03 0.00 -0.15 0.00 0.00 54.97 56.34 3l4j s GLU 718 Cb -0.12 -2.04 -0.03 0.00 -0.44 0.00 0.00 34.13 31.50 3l4j s GLU 718 CO 0.03 -0.70 0.12 -0.48 0.95 0.00 0.00 175.26 175.18 3l4j s LEU 719 N -3.88 1.58 0.53 1.83 2.34 -1.00 -4.95 118.68 115.12 3l4j s LEU 719 Ca 0.68 -1.09 -0.17 0.00 0.06 0.00 0.00 54.13 53.61 3l4j s LEU 719 Cb -0.19 0.55 -0.07 0.00 -0.56 0.00 0.00 46.19 45.93 3l4j s LEU 719 CO 0.27 -0.77 1.02 -1.59 -1.06 0.00 0.00 176.35 174.22 3l4j s LYS 720 N -4.02 3.71 0.21 1.48 -2.85 -1.26 -1.51 119.74 115.50 3l4j s LYS 720 Ca 0.21 1.13 -0.08 0.00 -1.00 0.00 0.00 55.97 56.23 3l4j s LYS 720 Cb 0.06 -2.09 0.16 0.00 -2.06 0.00 0.00 37.83 33.90 3l4j s LYS 720 CO 0.00 -0.48 1.80 0.28 0.10 0.00 0.00 175.35 177.05 3l4j h VAL 721 N 0.92 1.25 0.00 1.79 2.07 -1.18 0.70 116.25 121.80 3l4j h VAL 721 Ca -0.47 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3l4j h VAL 721 Cb 1.20 0.27 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3l4j h VAL 721 CO 0.59 0.31 0.00 0.00 0.02 0.00 0.00 177.57 178.50 3l4j h ALA 722 N 1.19 1.00 0.04 1.67 0.00 -1.74 -1.52 119.26 119.89 3l4j h ALA 722 Ca 0.27 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.80 3l4j h ALA 722 Cb 0.15 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.89 3l4j h ALA 722 CO -0.03 0.00 -2.31 1.04 0.00 0.00 0.00 179.25 177.95 3l4j n GLN 723 N -2.51 0.68 -0.21 0.00 6.02 -0.45 -4.41 117.38 116.50 3l4j n GLN 723 Ca -0.00 0.18 -0.07 0.00 -0.01 0.00 0.00 57.00 57.09 3l4j n GLN 723 Cb 0.13 -1.58 0.03 0.00 1.02 0.00 0.00 30.24 29.84 3l4j n GLN 723 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 3l4j h LEU 724 N 0.02 0.77 0.06 1.08 5.85 -0.46 -2.88 115.31 119.75 3l4j h LEU 724 Ca -0.52 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.08 3l4j h LEU 724 Cb 1.97 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.77 3l4j h LEU 724 CO -0.02 0.69 -0.19 0.00 -0.34 0.00 0.00 178.44 178.57 3l4j h ALA 725 N 1.11 -0.29 -0.31 1.25 0.00 -1.51 -0.42 119.26 119.10 3l4j h ALA 725 Ca 0.20 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 3l4j h ALA 725 Cb 0.12 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 3l4j h ALA 725 CO -0.03 -0.70 -0.11 -1.35 0.00 0.00 0.00 179.25 177.06 3l4j h PRO 726 N -0.34 0.52 -0.40 0.00 0.11 -1.77 -0.27 132.00 129.85 3l4j h PRO 726 Ca 0.04 -0.15 -0.03 0.00 0.11 0.00 0.00 66.00 65.97 3l4j h PRO 726 Cb 0.38 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 31.42 3l4j h PRO 726 CO -0.14 0.63 0.12 -0.92 -0.21 0.00 0.00 178.00 177.49 3l4j h TYR 727 N 0.48 0.65 -0.21 0.65 3.20 -1.22 0.12 116.97 120.63 3l4j h TYR 727 Ca 0.09 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 3l4j h TYR 727 Cb 0.49 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.56 3l4j h TYR 727 CO 0.02 0.60 0.09 0.28 -1.64 0.00 0.00 178.16 177.51 3l4j h VAL 728 N 0.50 1.15 -0.38 1.81 2.07 -0.94 -2.40 116.25 118.06 3l4j h VAL 728 Ca 0.13 -0.44 0.06 0.00 0.82 0.00 0.00 66.70 67.26 3l4j h VAL 728 Cb 0.26 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 3l4j h VAL 728 CO -0.00 0.15 0.08 -1.28 0.02 0.00 0.00 177.57 176.53 3l4j h SER 729 N 0.20 0.01 -0.75 0.57 0.87 -0.86 -1.57 113.55 112.02 3l4j h SER 729 Ca 0.07 0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.66 3l4j h SER 729 Cb 0.15 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 3l4j h SER 729 CO -0.01 0.04 0.32 -0.08 -0.53 0.00 0.00 176.83 176.57 3l4j h GLU 730 N 0.20 1.12 -0.01 2.24 4.81 -0.68 -2.25 114.58 120.00 3l4j h GLU 730 Ca 0.18 -0.19 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3l4j h GLU 730 Cb 0.21 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3l4j h GLU 730 CO -0.24 0.90 -0.01 0.00 -0.73 0.00 0.00 179.01 178.93 3l4j n THR 732 N -0.13 0.99 -3.89 0.00 -2.24 -0.63 -4.81 114.28 103.57 3l4j n THR 732 Ca 0.20 -1.07 -0.25 0.00 -2.27 0.00 0.00 64.05 60.66 3l4j n THR 732 Cb 0.30 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.94 3l4j n THR 732 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3l4j n ALA 733 N -0.60 -1.96 -2.67 6.98 0.00 -1.01 -4.81 120.51 116.44 3l4j n ALA 733 Ca 0.03 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.83 3l4j n ALA 733 Cb 0.40 -1.77 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 3l4j n ALA 733 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 3l4j s TYR 734 N -3.84 3.40 -2.06 0.00 5.04 -0.88 -4.94 117.35 114.08 3l4j s TYR 734 Ca 0.05 1.50 0.20 0.00 -2.44 0.00 0.00 57.07 56.38 3l4j s TYR 734 Cb -0.03 -3.23 0.38 0.00 0.35 0.00 0.00 41.96 39.43 3l4j s TYR 734 CO 0.87 -0.38 1.32 0.72 -1.34 0.00 0.00 175.55 176.73 3l4j n HIS 735 N 5.83 0.46 -2.90 4.97 8.25 -1.26 -4.84 115.22 125.73 3l4j n HIS 735 Ca 0.11 -0.27 -0.21 0.00 -0.26 0.00 0.00 57.72 57.08 3l4j n HIS 735 Cb 0.47 -0.00 0.09 0.00 1.12 0.00 0.00 29.99 31.66 3l4j n HIS 735 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3l4j s HIS 736 N -1.31 1.24 0.22 4.41 3.76 -1.26 -5.06 115.29 117.30 3l4j s HIS 736 Ca 0.34 -0.64 -0.30 0.00 -0.15 0.00 0.00 55.06 54.31 3l4j s HIS 736 Cb 0.20 -2.45 -0.09 0.00 1.11 0.00 0.00 32.58 31.34 3l4j s HIS 736 CO 0.27 -1.45 1.36 0.20 -0.85 0.00 0.00 174.74 174.26 3l4j s GLY 737 N -4.74 2.43 0.60 -2.22 0.00 -1.26 -4.90 107.32 97.23 3l4j s GLY 737 Ca 0.64 1.19 0.30 0.00 0.00 0.00 0.00 44.72 46.85 3l4j s GLY 737 CO 0.42 2.14 2.13 0.83 0.00 0.00 0.00 173.10 178.61 3l4j h GLU 738 N 5.16 0.00 -0.69 2.90 3.07 -1.96 -1.67 114.58 121.38 3l4j h GLU 738 Ca -0.45 0.00 -0.03 0.00 -0.50 0.00 0.00 59.36 58.37 3l4j h GLU 738 Cb 1.22 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.09 3l4j h GLU 738 CO 0.77 0.00 0.30 0.37 -1.40 0.00 0.00 179.01 179.05 3l4j h GLN 739 N 0.00 1.01 -0.63 2.33 4.15 -1.99 0.47 115.11 120.45 3l4j h GLN 739 Ca 0.07 -0.16 -0.08 0.00 0.77 0.00 0.00 58.65 59.25 3l4j h GLN 739 Cb 0.40 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 27.89 3l4j h GLN 739 CO -0.00 0.80 0.07 1.03 -1.93 0.00 0.00 178.83 178.81 3l4j h SER 740 N 0.99 1.01 0.10 -0.69 0.87 -1.69 -2.48 113.55 111.67 3l4j h SER 740 Ca 0.24 -0.25 -0.13 0.00 -1.23 0.00 0.00 61.79 60.42 3l4j h SER 740 Cb 0.15 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 3l4j h SER 740 CO -0.02 1.02 -0.44 0.25 -0.53 0.00 0.00 176.83 177.11 3l4j h LEU 741 N 0.98 0.45 -0.04 2.23 5.85 -1.40 -2.71 115.31 120.68 3l4j h LEU 741 Ca 0.19 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.70 3l4j h LEU 741 Cb 0.46 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3l4j h LEU 741 CO 0.02 0.83 0.01 0.00 -0.34 0.00 0.00 178.44 178.96 3l4j h ALA 742 N 1.19 0.05 -0.89 1.25 0.00 -0.66 -0.83 119.26 119.36 3l4j h ALA 742 Ca 0.03 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 54.93 3l4j h ALA 742 Cb 0.91 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.62 3l4j h ALA 742 CO 0.08 -0.36 0.58 0.37 0.00 0.00 0.00 179.25 179.91 3l4j h GLN 743 N -0.10 0.91 -0.58 0.00 5.75 -1.46 -1.13 115.11 118.50 3l4j h GLN 743 Ca 0.01 -0.05 -0.09 0.00 -0.15 0.00 0.00 58.65 58.37 3l4j h GLN 743 Cb 0.17 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 3l4j h GLN 743 CO -0.00 0.60 0.01 1.15 -2.65 0.00 0.00 178.83 177.94 3l4j h THR 744 N 0.94 1.26 -0.39 2.39 2.02 -1.13 0.13 112.91 118.13 3l4j h THR 744 Ca 0.40 -1.12 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 3l4j h THR 744 Cb 0.33 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 3l4j h THR 744 CO -0.16 0.40 0.24 0.40 0.37 0.00 0.00 175.52 176.77 3l4j h ILE 745 N 0.90 1.12 -0.92 3.11 2.04 -0.45 -1.51 117.51 121.79 3l4j h ILE 745 Ca 0.16 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.81 3l4j h ILE 745 Cb 0.54 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 37.15 3l4j h ILE 745 CO 0.03 0.12 0.60 0.40 0.00 0.00 0.00 178.15 179.29 3l4j h ILE 746 N 0.51 1.13 -0.46 -0.67 2.04 -0.97 -2.13 117.51 116.96 3l4j h ILE 746 Ca 0.14 -0.39 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 3l4j h ILE 746 Cb -0.02 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 35.93 3l4j h ILE 746 CO -0.03 0.21 0.21 1.23 0.00 0.00 0.00 178.15 179.77 3l4j h GLY 747 N 1.14 0.69 2.00 5.37 0.00 -0.11 -2.16 103.07 109.99 3l4j h GLY 747 Ca 0.38 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.40 3l4j h GLY 747 CO -0.13 0.30 0.00 1.41 0.00 0.00 0.00 176.54 178.11 3l4j h LEU 748 N 0.64 0.00 0.00 3.11 3.38 -0.65 -3.31 115.31 118.48 3l4j h LEU 748 Ca 0.16 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.99 3l4j h LEU 748 Cb 0.08 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3l4j h LEU 748 CO -0.02 0.00 -1.99 0.00 0.09 0.00 0.00 178.44 176.52 3l4j n ALA 749 N -1.96 2.27 -1.62 1.53 0.00 -0.88 -3.15 120.51 116.71 3l4j n ALA 749 Ca 0.04 -0.76 -0.46 0.00 0.00 0.00 0.00 53.44 52.26 3l4j n ALA 749 Cb 0.46 -0.62 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 3l4j n ALA 749 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3l4j n GLN 750 N -2.52 1.53 -0.16 0.00 6.02 -0.87 -3.77 117.38 117.61 3l4j n GLN 750 Ca -0.14 0.54 0.02 0.00 -0.01 0.00 0.00 57.00 57.42 3l4j n GLN 750 Cb 0.79 -2.07 0.03 0.00 1.02 0.00 0.00 30.24 30.01 3l4j n GLN 750 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 3l4j n ASN 751 N 1.86 0.92 -4.82 1.08 6.94 -1.26 -3.92 115.26 116.06 3l4j n ASN 751 Ca 0.12 -1.95 -0.32 0.00 -0.02 0.00 0.00 54.58 52.42 3l4j n ASN 751 Cb 0.29 -0.15 0.03 0.00 -2.36 0.00 0.00 39.78 37.58 3l4j n ASN 751 CO 0.00 0.00 0.00 0.72 -1.03 0.00 0.00 177.26 176.95 3l4j s PHE 752 N -0.83 3.17 0.03 -2.53 -0.12 -1.26 -4.94 117.98 111.50 3l4j s PHE 752 Ca 0.07 1.44 -0.30 0.00 -0.05 0.00 0.00 56.93 58.08 3l4j s PHE 752 Cb 0.06 -2.89 -0.08 0.00 -0.63 0.00 0.00 43.02 39.48 3l4j s PHE 752 CO 0.01 -1.05 1.86 0.08 -0.05 0.00 0.00 175.22 176.07 3l4j s VAL 753 N -2.85 3.06 0.00 -2.49 1.01 -1.26 -1.92 120.40 115.95 3l4j s VAL 753 Ca 0.59 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.77 3l4j s VAL 753 Cb -0.14 -3.13 0.00 0.00 0.00 0.00 0.00 36.38 33.12 3l4j s VAL 753 CO 0.47 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 176.17 3l4j n GLY 754 N 4.38 0.76 0.00 4.51 0.00 -1.26 -4.77 105.19 108.81 3l4j n GLY 754 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3l4j n GLY 754 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3l4j n SER 755 N 0.00 0.00 -4.37 1.61 3.41 -0.81 -4.71 113.62 108.75 3l4j n SER 755 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.26 3l4j n SER 755 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 3l4j n SER 755 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3l4j s ASN 756 N -0.77 4.44 0.16 4.04 0.01 -1.25 -4.98 114.94 116.59 3l4j s ASN 756 Ca 0.00 -0.31 -0.15 0.00 -0.71 0.00 0.00 52.86 51.68 3l4j s ASN 756 Cb 0.00 -1.75 0.04 0.00 0.41 0.00 0.00 41.25 39.95 3l4j s ASN 756 CO 0.00 0.04 1.81 0.78 -1.51 0.00 0.00 177.10 178.23 3l4j h ASN 757 N 7.65 0.46 -3.19 -1.22 -0.26 -1.88 -3.39 115.58 113.76 3l4j h ASN 757 Ca -0.37 -0.00 -0.55 0.00 -0.56 0.00 0.00 56.30 54.81 3l4j h ASN 757 Cb 1.17 -0.11 -0.37 0.00 -1.06 0.00 0.00 38.32 37.96 3l4j h ASN 757 CO 0.60 0.33 -0.81 -0.63 -1.06 0.00 0.00 177.43 175.86 3l4j s ILE 758 N -6.16 1.19 -0.19 2.81 1.01 -1.26 -4.85 121.20 113.76 3l4j s ILE 758 Ca -0.13 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 59.91 3l4j s ILE 758 Cb 0.12 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.35 3l4j s ILE 758 CO 0.73 0.36 0.51 -0.72 0.00 0.00 0.00 174.94 175.82 3l4j s TYR 759 N 1.64 3.40 -0.58 3.97 -0.85 -1.26 -4.95 117.35 118.71 3l4j s TYR 759 Ca 0.04 0.79 0.25 0.00 -0.52 0.00 0.00 57.07 57.63 3l4j s TYR 759 Cb -0.13 -2.64 0.55 0.00 0.38 0.00 0.00 41.96 40.12 3l4j s TYR 759 CO -0.09 -0.05 1.64 -0.07 -1.52 0.00 0.00 175.55 175.46 3l4j h LEU 760 N 7.72 0.00 -8.83 -3.49 3.38 -1.90 -3.44 115.31 108.75 3l4j h LEU 760 Ca -0.35 -0.02 -0.69 0.00 0.09 0.00 0.00 57.88 56.91 3l4j h LEU 760 Cb 1.16 0.00 -0.25 0.00 0.09 0.00 0.00 40.66 41.66 3l4j h LEU 760 CO 0.74 0.01 -0.86 -0.76 0.09 0.00 0.00 178.44 177.66 3l4j s LEU 761 N -5.23 2.30 -0.09 1.67 1.43 -1.21 -1.17 118.68 116.39 3l4j s LEU 761 Ca 0.08 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.39 3l4j s LEU 761 Cb 0.09 -1.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.94 3l4j s LEU 761 CO 0.64 0.24 0.59 -0.76 0.23 0.00 0.00 176.35 177.30 3l4j s LEU 762 N -1.45 4.30 -0.94 1.79 1.43 -0.86 -4.14 118.68 118.80 3l4j s LEU 762 Ca 0.13 1.00 -0.24 0.00 -1.03 0.00 0.00 54.13 53.99 3l4j s LEU 762 Cb -0.10 -2.89 0.02 0.00 0.03 0.00 0.00 46.19 43.24 3l4j s LEU 762 CO 0.04 -0.06 1.59 -2.84 0.23 0.00 0.00 176.35 175.30 3l4j s PRO 763 N 0.73 3.22 -1.14 1.29 0.02 -1.25 -4.14 135.00 133.73 3l4j s PRO 763 Ca 0.32 -0.72 -0.06 0.00 0.02 0.00 0.00 61.00 60.56 3l4j s PRO 763 Cb -0.16 -5.11 0.27 0.00 0.02 0.00 0.00 34.50 29.51 3l4j s PRO 763 CO 0.14 -2.55 1.58 0.09 -0.33 0.00 0.00 177.00 175.93 3l4j n ASN 764 N 10.51 6.04 0.00 2.53 3.02 -0.56 -4.93 115.26 131.86 3l4j n ASN 764 Ca 0.31 -3.32 0.00 0.00 -0.03 0.00 0.00 54.58 51.55 3l4j n ASN 764 Cb 0.50 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 38.33 3l4j n ASN 764 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3l4j n GLY 765 N 1.79 0.13 3.58 7.41 0.00 -1.26 -1.94 105.19 114.90 3l4j n GLY 765 Ca 0.30 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.34 3l4j n GLY 765 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l4j s ALA 766 N -1.00 2.87 -1.18 4.61 0.00 -1.26 -4.75 121.76 121.04 3l4j s ALA 766 Ca 0.00 -2.68 0.09 0.00 0.00 0.00 0.00 51.96 49.38 3l4j s ALA 766 Cb 0.00 -4.65 0.39 0.00 0.00 0.00 0.00 23.12 18.86 3l4j s ALA 766 CO 0.00 -3.85 1.21 1.19 0.00 0.00 0.00 175.76 174.31 3l4j n PHE 767 N 10.09 0.85 0.00 0.00 3.01 -1.26 -0.91 117.46 129.25 3l4j n PHE 767 Ca 0.47 -0.33 0.00 0.00 1.01 0.00 0.00 57.45 58.60 3l4j n PHE 767 Cb 0.46 -0.19 0.00 0.00 -0.01 0.00 0.00 39.48 39.75 3l4j n PHE 767 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3l4j n GLY 768 N 0.65 1.37 3.68 1.37 0.00 -1.26 -4.65 105.19 106.35 3l4j n GLY 768 Ca 0.14 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 3l4j n GLY 768 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3l4j s THR 769 N -2.35 1.40 -0.63 2.61 -4.23 -1.26 -4.72 115.64 106.46 3l4j s THR 769 Ca 0.00 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.72 3l4j s THR 769 Cb 0.00 -2.49 0.21 0.00 1.34 0.00 0.00 72.50 71.56 3l4j s THR 769 CO 0.00 0.00 1.64 -1.14 -0.54 0.00 0.00 174.62 174.58 3l4j n ARG 770 N -1.11 0.14 -0.12 3.99 0.63 -1.26 -1.00 116.66 117.94 3l4j n ARG 770 Ca -0.13 0.37 -0.01 0.00 -0.92 0.00 0.00 57.85 57.17 3l4j n ARG 770 Cb 0.67 -1.77 0.24 0.00 0.45 0.00 0.00 32.46 32.05 3l4j n ARG 770 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3l4j h ALA 771 N 2.33 1.33 0.00 5.13 0.00 -1.95 -3.09 119.26 123.01 3l4j h ALA 771 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3l4j h ALA 771 Cb 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3l4j h ALA 771 CO 0.00 0.49 0.00 0.25 0.00 0.00 0.00 179.25 179.99 3l4j n THR 772 N -4.32 0.49 -2.49 0.00 -2.24 -1.20 -1.44 114.28 103.08 3l4j n THR 772 Ca 0.04 -0.57 -0.06 0.00 -2.27 0.00 0.00 64.05 61.20 3l4j n THR 772 Cb 0.17 0.84 0.01 0.00 -2.10 0.00 0.00 70.33 69.25 3l4j n THR 772 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l4j n GLY 773 N -0.25 0.38 1.30 3.38 0.00 -1.02 -3.60 105.19 105.39 3l4j n GLY 773 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3l4j n GLY 773 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3l4j n GLY 774 N -0.94 2.97 0.19 -0.02 0.00 -0.17 -4.89 105.19 102.33 3l4j n GLY 774 Ca -0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.13 3l4j n GLY 774 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3l4j h LYS 775 N 2.48 0.00 -0.32 1.61 1.57 -1.82 -0.40 116.57 119.69 3l4j h LYS 775 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3l4j h LYS 775 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3l4j h LYS 775 CO 0.00 0.00 0.00 -0.40 -0.57 0.00 0.00 179.45 178.48 3l4j n ASP 776 N -2.41 1.60 -4.73 0.86 5.75 -1.26 -4.92 116.55 111.44 3l4j n ASP 776 Ca -0.02 -2.02 -0.38 0.00 -0.01 0.00 0.00 54.79 52.37 3l4j n ASP 776 Cb 0.05 -0.21 0.06 0.00 -1.03 0.00 0.00 41.12 39.98 3l4j n ASP 776 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3l4j n ALA 777 N 0.34 1.30 -1.94 2.12 0.00 -0.16 -4.51 120.51 117.65 3l4j n ALA 777 Ca 0.10 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.30 3l4j n ALA 777 Cb 0.26 -2.33 0.02 0.00 0.00 0.00 0.00 19.45 17.40 3l4j n ALA 777 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3l4j s ALA 778 N -1.34 3.10 0.90 0.00 0.00 -0.08 -4.87 121.76 119.47 3l4j s ALA 778 Ca 0.77 -0.26 -0.11 0.00 0.00 0.00 0.00 51.96 52.36 3l4j s ALA 778 Cb -0.40 -2.96 0.13 0.00 0.00 0.00 0.00 23.12 19.89 3l4j s ALA 778 CO 0.45 -0.78 1.10 0.00 0.00 0.00 0.00 175.76 176.54 3l4j n ALA 779 N -2.74 -0.81 0.28 0.00 0.00 -1.26 -4.86 120.51 111.12 3l4j n ALA 779 Ca 0.05 -0.52 0.13 0.00 0.00 0.00 0.00 53.44 53.10 3l4j n ALA 779 Cb 0.55 -2.18 0.82 0.00 0.00 0.00 0.00 19.45 18.65 3l4j n ALA 779 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3l4j h ALA 780 N -1.71 1.54 0.00 0.00 0.00 -1.96 -1.74 119.26 115.40 3l4j h ALA 780 Ca -0.44 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3l4j h ALA 780 Cb 1.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3l4j h ALA 780 CO 0.41 0.04 0.00 2.89 0.00 0.00 0.00 179.25 182.60 3l4j n ARG 781 N -3.92 0.60 -0.06 0.00 1.85 -1.26 -2.48 116.66 111.40 3l4j n ARG 781 Ca -0.03 0.03 -0.03 0.00 -1.00 0.00 0.00 57.85 56.82 3l4j n ARG 781 Cb 0.12 -1.50 -0.13 0.00 -1.05 0.00 0.00 32.46 29.91 3l4j n ARG 781 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3l4j n TYR 782 N -1.12 0.00 -4.17 2.89 4.01 -0.65 -4.98 117.16 113.13 3l4j n TYR 782 Ca 0.16 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.63 3l4j n TYR 782 Cb 0.13 -0.66 -0.07 0.00 -0.31 0.00 0.00 39.34 38.42 3l4j n TYR 782 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 3l4j s ILE 783 N -2.61 3.92 0.10 -0.72 -4.36 -1.19 -4.80 121.20 111.54 3l4j s ILE 783 Ca -0.07 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.01 3l4j s ILE 783 Cb 0.06 -2.98 -0.04 0.00 1.25 0.00 0.00 42.46 40.76 3l4j s ILE 783 CO 0.66 -0.11 -0.10 -0.31 0.24 0.00 0.00 174.94 175.31 3l4j s TYR 784 N -1.74 1.08 0.08 1.37 1.51 -0.82 -1.34 117.35 117.49 3l4j s TYR 784 Ca 0.28 -0.65 -0.08 0.00 -1.01 0.00 0.00 57.07 55.62 3l4j s TYR 784 Cb -0.09 -0.59 -0.00 0.00 -0.11 0.00 0.00 41.96 41.16 3l4j s TYR 784 CO 0.20 0.01 0.17 -0.08 -1.11 0.00 0.00 175.55 174.74 3l4j s THR 785 N -2.40 0.15 0.35 -0.71 -1.32 -0.57 -1.50 115.64 109.64 3l4j s THR 785 Ca 0.05 -1.21 -0.05 0.00 -1.21 0.00 0.00 61.69 59.27 3l4j s THR 785 Cb -0.03 -1.31 0.01 0.00 -1.51 0.00 0.00 72.50 69.66 3l4j s THR 785 CO 0.00 -0.67 0.53 -1.83 -2.21 0.00 0.00 174.62 170.45 3l4j s GLU 786 N -3.74 1.96 0.27 7.08 -1.05 -1.26 -2.38 118.70 119.59 3l4j s GLU 786 Ca 0.04 -1.68 -0.29 0.00 -0.15 0.00 0.00 54.97 52.88 3l4j s GLU 786 Cb 0.05 0.48 -0.09 0.00 -0.44 0.00 0.00 34.13 34.12 3l4j s GLU 786 CO -0.10 -0.84 1.16 -0.51 0.95 0.00 0.00 175.26 175.92 3l4j s LEU 787 N -3.20 4.51 0.12 1.83 1.43 0.44 -2.04 118.68 121.77 3l4j s LEU 787 Ca 0.27 2.35 -0.31 0.00 -1.03 0.00 0.00 54.13 55.41 3l4j s LEU 787 Cb -0.01 -3.63 -0.08 0.00 0.03 0.00 0.00 46.19 42.50 3l4j s LEU 787 CO 0.18 -0.27 1.42 0.21 0.23 0.00 0.00 176.35 178.13 3l4j s ASN 788 N -0.61 6.79 0.49 2.29 3.84 -0.32 -4.73 114.94 122.69 3l4j s ASN 788 Ca 0.47 2.37 0.30 0.00 0.21 0.00 0.00 52.86 56.21 3l4j s ASN 788 Cb -0.34 -2.59 1.39 0.00 -0.55 0.00 0.00 41.25 39.16 3l4j s ASN 788 CO 0.43 -0.68 1.81 0.11 -2.79 0.00 0.00 177.10 175.97 3l4j h LYS 789 N 6.82 0.13 0.00 0.43 1.57 -1.94 0.12 116.57 123.70 3l4j h LYS 789 Ca -0.42 -0.01 -0.11 0.00 -1.87 0.00 0.00 60.65 58.24 3l4j h LYS 789 Cb 1.21 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 3l4j h LYS 789 CO 0.87 0.09 -0.52 1.25 -0.57 0.00 0.00 179.45 180.57 3l4j h LEU 790 N 0.13 0.00 -0.65 2.94 5.85 -1.90 -3.33 115.31 118.35 3l4j h LEU 790 Ca 0.55 0.00 0.13 0.00 0.84 0.00 0.00 57.88 59.40 3l4j h LEU 790 Cb 1.92 0.00 -0.09 0.00 0.37 0.00 0.00 40.66 42.85 3l4j h LEU 790 CO -0.11 0.52 0.15 0.74 -0.34 0.00 0.00 178.44 179.41 3l4j h THR 791 N 0.00 0.60 0.00 1.05 2.02 -1.05 0.26 112.91 115.80 3l4j h THR 791 Ca -0.01 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3l4j h THR 791 Cb 0.95 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3l4j h THR 791 CO 0.07 0.05 0.00 -0.09 0.37 0.00 0.00 175.52 175.92 3l4j h ARG 792 N 0.27 0.00 0.02 6.66 9.65 -1.73 0.17 114.38 129.43 3l4j h ARG 792 Ca 0.35 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 59.01 3l4j h ARG 792 Cb 0.55 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 3l4j h ARG 792 CO -0.44 0.00 -1.04 0.87 2.80 0.00 0.00 179.97 182.16 3l4j h LYS 793 N 0.00 0.05 0.00 0.20 1.79 -0.69 -3.28 116.57 114.64 3l4j h LYS 793 Ca 0.00 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.39 3l4j h LYS 793 Cb 0.39 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3l4j h LYS 793 CO 0.00 1.04 -0.01 0.82 -1.08 0.00 0.00 179.45 180.22 3l4j h ILE 794 N 0.01 1.47 -3.49 1.86 2.04 -0.56 -3.40 117.51 115.45 3l4j h ILE 794 Ca -0.03 -2.11 -0.77 0.00 1.00 0.00 0.00 64.86 62.95 3l4j h ILE 794 Cb 1.80 2.79 -0.24 0.00 -0.74 0.00 0.00 36.82 40.43 3l4j h ILE 794 CO 0.14 0.50 0.21 -0.36 0.00 0.00 0.00 178.15 178.64 3l4j s PHE 795 N -2.10 3.59 0.09 1.37 0.40 0.47 -1.57 117.98 120.23 3l4j s PHE 795 Ca -0.16 -1.80 -0.31 0.00 -0.60 0.00 0.00 56.93 54.06 3l4j s PHE 795 Cb -0.02 -3.91 -0.08 0.00 0.51 0.00 0.00 43.02 39.52 3l4j s PHE 795 CO 0.57 -1.09 1.45 -1.58 0.70 0.00 0.00 175.22 175.26 3l4j s HIS 796 N 0.80 3.03 0.40 0.36 2.46 -1.24 -4.50 115.29 116.61 3l4j s HIS 796 Ca 0.19 0.80 0.09 0.00 0.47 0.00 0.00 55.06 56.62 3l4j s HIS 796 Cb -0.11 -3.74 0.88 0.00 -0.13 0.00 0.00 32.58 29.48 3l4j s HIS 796 CO -0.08 -2.71 2.00 -1.35 -2.47 0.00 0.00 174.74 170.13 3l4j h PRO 797 N 7.23 0.55 0.00 2.88 0.11 -1.97 -1.61 132.00 139.19 3l4j h PRO 797 Ca -0.41 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3l4j h PRO 797 Cb 1.20 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.19 3l4j h PRO 797 CO 0.89 0.36 0.08 0.00 -0.21 0.00 0.00 178.00 179.12 3l4j h ALA 798 N 1.68 1.07 0.00 -0.75 0.00 -1.96 -0.57 119.26 118.73 3l4j h ALA 798 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3l4j h ALA 798 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.05 3l4j h ALA 798 CO -0.07 -0.07 -0.60 -0.44 0.00 0.00 0.00 179.25 178.07 3l4j h ASP 799 N 0.00 0.00 -0.64 0.00 3.32 -1.68 -3.38 116.42 114.04 3l4j h ASP 799 Ca 0.00 -0.14 0.13 0.00 0.02 0.00 0.00 57.03 57.05 3l4j h ASP 799 Cb 0.15 0.00 -0.10 0.00 0.22 0.00 0.00 39.33 39.60 3l4j h ASP 799 CO 0.00 0.07 0.07 0.44 -1.72 0.00 0.00 179.24 178.10 3l4j h ASP 800 N 0.00 -0.16 0.36 6.45 5.19 -1.21 -0.47 116.42 126.58 3l4j h ASP 800 Ca 0.00 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.55 3l4j h ASP 800 Cb 0.81 0.23 0.00 0.00 0.18 0.00 0.00 39.33 40.56 3l4j h ASP 800 CO 0.00 -0.08 0.00 -0.65 -3.12 0.00 0.00 179.24 175.39 3l4j h PRO 801 N 0.18 0.00 0.00 3.56 0.11 -1.77 -2.78 132.00 131.29 3l4j h PRO 801 Ca 0.35 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.37 3l4j h PRO 801 Cb 0.56 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 3l4j h PRO 801 CO -0.50 0.00 -0.42 -0.07 -0.21 0.00 0.00 178.00 176.80 3l4j h LEU 802 N 0.00 0.00-10.33 2.35 3.38 -1.35 -3.47 115.31 105.88 3l4j h LEU 802 Ca 0.00 0.00 -0.50 0.00 0.09 0.00 0.00 57.88 57.47 3l4j h LEU 802 Cb 0.18 0.00 0.13 0.00 0.09 0.00 0.00 40.66 41.06 3l4j h LEU 802 CO 0.00 0.42 0.30 -0.31 0.09 0.00 0.00 178.44 178.94 3l4j s TYR 803 N -3.04 2.59 -0.55 1.13 2.02 -1.05 -5.00 117.35 113.45 3l4j s TYR 803 Ca 0.04 1.40 -0.13 0.00 -0.37 0.00 0.00 57.07 58.01 3l4j s TYR 803 Cb 0.07 -3.07 0.14 0.00 -0.40 0.00 0.00 41.96 38.70 3l4j s TYR 803 CO 0.73 -1.91 0.47 0.21 -1.57 0.00 0.00 175.55 173.48 3l4j s LYS 804 N -4.96 2.87 -0.15 -0.62 2.20 -1.26 -5.04 119.74 112.79 3l4j s LYS 804 Ca 0.61 -1.82 -0.29 0.00 -0.36 0.00 0.00 55.97 54.11 3l4j s LYS 804 Cb -0.17 -4.18 -0.02 0.00 -1.51 0.00 0.00 37.83 31.96 3l4j s LYS 804 CO 0.56 -1.28 1.23 0.71 -0.36 0.00 0.00 175.35 176.21 3l4j s TYR 805 N 1.34 2.96 0.30 4.03 1.51 -1.26 -2.06 117.35 124.17 3l4j s TYR 805 Ca 0.06 1.09 -0.30 0.00 -1.01 0.00 0.00 57.07 56.91 3l4j s TYR 805 Cb -0.27 -3.47 -0.12 0.00 -0.11 0.00 0.00 41.96 38.00 3l4j s TYR 805 CO 0.00 -1.52 1.50 -0.89 -1.11 0.00 0.00 175.55 173.54 3l4j n ILE 806 N 5.20 1.28 -3.43 2.71 5.41 -0.49 -4.74 119.36 125.29 3l4j n ILE 806 Ca 0.13 -0.32 -0.41 0.00 1.00 0.00 0.00 62.75 63.16 3l4j n ILE 806 Cb 0.45 -1.81 -0.10 0.00 -0.71 0.00 0.00 39.64 37.47 3l4j n ILE 806 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 3l4j s GLN 807 N -0.90 3.57 -0.01 0.38 2.00 -1.26 -1.03 119.66 122.41 3l4j s GLN 807 Ca 0.62 -0.45 0.00 0.00 -2.00 0.00 0.00 55.36 53.54 3l4j s GLN 807 Cb -0.53 -3.80 0.01 0.00 0.80 0.00 0.00 33.01 29.49 3l4j s GLN 807 CO 0.53 -0.49 -0.00 -2.00 -0.50 0.00 0.00 175.29 172.82 3l4j s GLU 808 N 1.95 0.12 -1.27 1.67 2.12 0.23 -4.88 118.70 118.64 3l4j s GLU 808 Ca 0.11 0.02 -0.03 0.00 0.36 0.00 0.00 54.97 55.42 3l4j s GLU 808 Cb -0.17 -0.20 0.01 0.00 0.26 0.00 0.00 34.13 34.03 3l4j s GLU 808 CO 0.11 -0.03 1.03 -0.25 -0.54 0.00 0.00 175.26 175.57 3l4j n ASP 809 N 3.44 -3.26 -3.12 -1.70 9.92 -1.26 -1.98 116.55 118.59 3l4j n ASP 809 Ca -0.18 -0.62 -0.22 0.00 -0.53 0.00 0.00 54.79 53.24 3l4j n ASP 809 Cb 0.56 -4.97 0.02 0.00 -0.64 0.00 0.00 41.12 36.09 3l4j n ASP 809 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3l4j n GLU 810 N -4.41 -4.06 -3.53 -1.24 2.13 -1.26 -4.90 120.64 103.37 3l4j n GLU 810 Ca -0.20 0.71 -0.12 0.00 0.66 0.00 0.00 57.16 58.21 3l4j n GLU 810 Cb 0.64 -5.49 -0.04 0.00 0.27 0.00 0.00 31.44 26.82 3l4j n GLU 810 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3l4j s LYS 811 N -5.78 1.15 -0.03 5.31 2.20 -0.84 -5.07 119.74 116.68 3l4j s LYS 811 Ca 0.32 -0.48 -0.13 0.00 -0.36 0.00 0.00 55.97 55.32 3l4j s LYS 811 Cb -0.16 0.52 -0.05 0.00 -1.51 0.00 0.00 37.83 36.63 3l4j s LYS 811 CO 0.40 -0.47 0.35 0.99 -0.36 0.00 0.00 175.35 176.26 3l4j s THR 812 N -3.43 5.14 0.00 3.43 2.01 -1.26 0.75 115.64 122.28 3l4j s THR 812 Ca 0.00 0.70 0.00 0.00 0.31 0.00 0.00 61.69 62.70 3l4j s THR 812 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.87 3l4j s THR 812 CO -0.10 0.58 0.00 1.33 -0.69 0.00 0.00 174.62 175.74 3l4j n VAL 813 N 1.95 0.00 -0.84 3.82 0.24 -0.20 -4.91 118.33 118.40 3l4j n VAL 813 Ca -0.15 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.84 3l4j n VAL 813 Cb 0.53 0.00 0.16 0.00 -1.47 0.00 0.00 33.84 33.05 3l4j n VAL 813 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 3l4j s GLU 814 N 1.45 1.14 0.93 7.34 1.03 -1.26 -4.00 118.70 125.32 3l4j s GLU 814 Ca 0.00 1.37 -0.12 0.00 0.03 0.00 0.00 54.97 56.25 3l4j s GLU 814 Cb 0.00 -1.75 0.15 0.00 -0.80 0.00 0.00 34.13 31.72 3l4j s GLU 814 CO 0.00 -2.49 1.10 -2.14 -1.33 0.00 0.00 175.26 170.41 3l4j s PRO 815 N -4.71 0.98 0.21 -4.83 0.02 -1.26 -1.40 135.00 124.02 3l4j s PRO 815 Ca 0.65 0.53 -0.08 0.00 0.02 0.00 0.00 61.00 62.13 3l4j s PRO 815 Cb -0.21 -1.80 0.16 0.00 0.02 0.00 0.00 34.50 32.67 3l4j s PRO 815 CO 0.58 -2.36 1.79 0.93 -0.33 0.00 0.00 177.00 177.61 3l4j h GLU 816 N -1.62 1.17 -2.33 5.54 5.08 -1.78 -3.44 114.58 117.20 3l4j h GLU 816 Ca -0.52 -0.19 -0.05 0.00 -1.00 0.00 0.00 59.36 57.61 3l4j h GLU 816 Cb 1.31 -0.20 -0.17 0.00 0.50 0.00 0.00 28.75 30.20 3l4j h GLU 816 CO 0.58 0.93 0.20 1.67 -1.00 0.00 0.00 179.01 181.39 3l4j s TRP 817 N -5.63 -0.62 0.69 4.33 1.48 -1.26 -5.03 118.94 112.90 3l4j s TRP 817 Ca -0.12 0.87 -0.05 0.00 -1.06 0.00 0.00 56.10 55.73 3l4j s TRP 817 Cb 0.16 0.46 0.07 0.00 -1.16 0.00 0.00 33.47 33.00 3l4j s TRP 817 CO 0.83 -0.69 0.99 0.71 -4.06 0.00 0.00 176.95 174.73 3l4j s TYR 818 N -2.03 2.69 -0.45 1.66 2.02 -1.26 -4.83 117.35 115.15 3l4j s TYR 818 Ca -0.07 0.28 0.05 0.00 -0.37 0.00 0.00 57.07 56.96 3l4j s TYR 818 Cb -0.00 -3.15 0.20 0.00 -0.40 0.00 0.00 41.96 38.60 3l4j s TYR 818 CO 0.02 -1.42 0.43 -0.11 -1.57 0.00 0.00 175.55 172.91 3l4j n LEU 819 N -2.86 0.32 -4.62 -1.29 7.94 -1.26 -3.97 117.00 111.25 3l4j n LEU 819 Ca 0.09 -4.62 -0.31 0.00 -1.11 0.00 0.00 56.01 50.07 3l4j n LEU 819 Cb 0.60 0.37 0.18 0.00 0.53 0.00 0.00 43.42 45.11 3l4j n LEU 819 CO 0.49 1.92 0.61 -0.81 -1.11 0.00 0.00 177.39 178.50 3l4j n PRO 820 N 2.21 -0.83 0.00 1.96 -0.04 -1.26 -4.80 135.00 132.23 3l4j n PRO 820 Ca 0.26 -0.18 0.13 0.00 -0.04 0.00 0.00 63.50 63.67 3l4j n PRO 820 Cb 0.48 -2.32 0.74 0.00 -0.04 0.00 0.00 33.50 32.36 3l4j n PRO 820 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 3l4j n ILE 821 N -4.38 0.02 -3.69 0.52 -5.35 -0.61 -4.68 119.36 101.20 3l4j n ILE 821 Ca 0.10 0.01 -0.12 0.00 -0.27 0.00 0.00 62.75 62.47 3l4j n ILE 821 Cb 0.52 -0.61 -0.06 0.00 -1.74 0.00 0.00 39.64 37.75 3l4j n ILE 821 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 3l4j s LEU 822 N -2.06 0.56 -0.48 7.28 2.34 -1.26 -4.98 118.68 120.08 3l4j s LEU 822 Ca 0.37 -0.12 -0.28 0.00 0.06 0.00 0.00 54.13 54.15 3l4j s LEU 822 Cb 0.17 1.63 0.01 0.00 -0.56 0.00 0.00 46.19 47.44 3l4j s LEU 822 CO 0.30 -0.68 1.45 -2.16 -1.06 0.00 0.00 176.35 174.19 3l4j s PRO 823 N -2.76 3.41 0.45 1.48 0.04 -1.26 -4.77 135.00 131.59 3l4j s PRO 823 Ca -0.04 0.74 0.25 0.00 0.04 0.00 0.00 61.00 62.00 3l4j s PRO 823 Cb -0.00 -4.09 0.89 0.00 0.04 0.00 0.00 34.50 31.34 3l4j s PRO 823 CO -0.04 -1.78 1.81 0.52 0.04 0.00 0.00 177.00 177.54 3l4j h MET 824 N 11.11 0.00 0.00 4.56 2.86 -1.81 -1.73 114.93 129.93 3l4j h MET 824 Ca -0.27 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.36 3l4j h MET 824 Cb 1.10 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.76 3l4j h MET 824 CO 1.13 0.19 -0.05 0.97 1.06 0.00 0.00 176.91 180.21 3l4j h ILE 825 N 0.00 0.28 0.03 -1.22 2.10 -1.84 -1.77 117.51 115.10 3l4j h ILE 825 Ca -0.00 -0.31 -0.32 0.00 1.08 0.00 0.00 64.86 65.31 3l4j h ILE 825 Cb 0.78 1.23 -0.04 0.00 -1.09 0.00 0.00 36.82 37.70 3l4j h ILE 825 CO 0.02 0.05 -1.84 0.18 -1.08 0.00 0.00 178.15 175.48 3l4j n LEU 826 N -3.39 1.31 -0.06 2.19 4.77 -0.67 -1.54 117.00 119.61 3l4j n LEU 826 Ca -0.02 0.32 -0.10 0.00 -0.03 0.00 0.00 56.01 56.19 3l4j n LEU 826 Cb 0.18 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.08 3l4j n LEU 826 CO 0.26 0.53 0.96 0.58 -1.33 0.00 0.00 177.39 178.39 3l4j h VAL 827 N 0.02 1.08 0.00 4.08 2.07 -1.20 0.18 116.25 122.48 3l4j h VAL 827 Ca -0.34 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.01 3l4j h VAL 827 Cb 2.03 0.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.56 3l4j h VAL 827 CO 0.07 0.07 -1.57 0.59 0.02 0.00 0.00 177.57 176.76 3l4j n ASN 828 N -4.91 2.05 -0.48 0.57 3.02 -0.73 -3.30 115.26 111.49 3l4j n ASN 828 Ca -0.03 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.51 3l4j n ASN 828 Cb 0.04 1.57 0.00 0.00 -0.61 0.00 0.00 39.78 40.78 3l4j n ASN 828 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3l4j n GLY 829 N 1.77 -0.86 3.54 7.41 0.00 -0.59 -4.15 105.19 112.30 3l4j n GLY 829 Ca -0.02 -1.09 -0.10 0.00 0.00 0.00 0.00 46.02 44.81 3l4j n GLY 829 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3l4j s ALA 830 N -1.68 -1.88 -0.02 4.61 0.00 0.39 -4.90 121.76 118.27 3l4j s ALA 830 Ca 0.00 1.33 0.01 0.00 0.00 0.00 0.00 51.96 53.30 3l4j s ALA 830 Cb 0.00 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.97 3l4j s ALA 830 CO 0.00 -0.48 -0.02 -1.21 0.00 0.00 0.00 175.76 174.04 3l4j s GLU 831 N -2.01 0.43 0.08 0.00 2.02 -1.26 -0.56 118.70 117.41 3l4j s GLU 831 Ca 0.01 -0.04 -0.25 0.00 0.02 0.00 0.00 54.97 54.71 3l4j s GLU 831 Cb -0.01 -0.51 0.07 0.00 0.10 0.00 0.00 34.13 33.78 3l4j s GLU 831 CO -0.03 -0.05 0.62 0.20 0.02 0.00 0.00 175.26 176.02 3l4j s GLY 832 N 0.65 -0.59 -0.15 -1.39 0.00 -0.85 -4.99 107.32 100.00 3l4j s GLY 832 Ca -0.07 0.76 -0.00 0.00 0.00 0.00 0.00 44.72 45.41 3l4j s GLY 832 CO -0.01 0.42 -0.08 -0.42 0.00 0.00 0.00 173.10 173.02 3l4j s ILE 833 N -2.84 1.19 0.00 0.90 1.01 -1.26 -1.14 121.20 119.05 3l4j s ILE 833 Ca -0.03 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3l4j s ILE 833 Cb -0.01 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.21 3l4j s ILE 833 CO -0.05 0.27 0.00 0.61 0.00 0.00 0.00 174.94 175.77 3l4j n GLY 834 N 4.87 2.44 3.17 6.18 0.00 -0.86 -4.85 105.19 116.13 3l4j n GLY 834 Ca -0.13 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.74 3l4j n GLY 834 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3l4j s THR 835 N 4.26 1.81 0.00 2.61 2.01 -1.26 -4.74 115.64 120.33 3l4j s THR 835 Ca 0.00 -0.88 0.00 0.00 0.31 0.00 0.00 61.69 61.12 3l4j s THR 835 Cb 0.00 -1.58 0.00 0.00 0.01 0.00 0.00 72.50 70.93 3l4j s THR 835 CO 0.00 0.50 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 3l4j n GLY 836 N 3.57 1.05 3.95 4.40 0.00 -1.26 -4.78 105.19 112.12 3l4j n GLY 836 Ca -0.20 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 3l4j n GLY 836 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3l4j s TRP 837 N 0.00 3.40 0.25 1.61 0.52 -1.26 -4.67 118.94 118.79 3l4j s TRP 837 Ca 0.00 0.20 -0.12 0.00 0.02 0.00 0.00 56.10 56.20 3l4j s TRP 837 Cb 0.00 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.40 3l4j s TRP 837 CO 0.00 0.09 0.47 0.45 0.02 0.00 0.00 176.95 177.98 3l4j s SER 838 N -4.07 -0.05 -0.17 2.95 0.15 -1.26 -2.04 113.70 109.22 3l4j s SER 838 Ca 0.41 -0.97 -0.16 0.00 0.70 0.00 0.00 55.95 55.92 3l4j s SER 838 Cb -0.10 0.58 0.04 0.00 -1.71 0.00 0.00 66.02 64.84 3l4j s SER 838 CO 0.34 -1.14 0.46 0.28 1.20 0.00 0.00 173.24 174.38 3l4j s THR 839 N -3.98 0.00 -0.04 6.45 -1.32 -0.29 -4.48 115.64 111.98 3l4j s THR 839 Ca 0.23 -0.01 -0.02 0.00 -1.21 0.00 0.00 61.69 60.68 3l4j s THR 839 Cb -0.00 -0.65 0.03 0.00 -1.51 0.00 0.00 72.50 70.37 3l4j s THR 839 CO 0.10 -0.01 0.08 -0.47 -2.21 0.00 0.00 174.62 172.11 3l4j s TYR 840 N 0.18 -0.03 -0.07 9.09 5.04 0.73 -2.00 117.35 130.29 3l4j s TYR 840 Ca -0.01 0.31 -0.01 0.00 -2.44 0.00 0.00 57.07 54.93 3l4j s TYR 840 Cb -0.03 -0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.02 3l4j s TYR 840 CO 0.01 -0.16 -0.01 0.42 -1.34 0.00 0.00 175.55 174.47 3l4j s ILE 841 N 1.61 0.41 0.67 3.14 1.01 0.28 -3.87 121.20 124.45 3l4j s ILE 841 Ca -0.03 0.08 -0.12 0.00 0.00 0.00 0.00 60.65 60.58 3l4j s ILE 841 Cb -0.12 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.80 3l4j s ILE 841 CO -0.04 0.26 1.05 -2.16 0.00 0.00 0.00 174.94 174.05 3l4j s PRO 842 N 1.79 3.09 0.63 2.79 0.04 -1.26 -0.46 135.00 141.62 3l4j s PRO 842 Ca 0.02 0.97 -0.15 0.00 0.04 0.00 0.00 61.00 61.89 3l4j s PRO 842 Cb -0.13 -2.01 -0.01 0.00 0.04 0.00 0.00 34.50 32.39 3l4j s PRO 842 CO -0.05 -0.98 1.09 -2.14 0.04 0.00 0.00 177.00 174.96 3l4j s PRO 843 N -4.88 3.01 0.31 0.56 0.02 -1.26 -4.06 135.00 128.70 3l4j s PRO 843 Ca 0.59 1.29 0.03 0.00 0.02 0.00 0.00 61.00 62.92 3l4j s PRO 843 Cb -0.14 -1.99 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 3l4j s PRO 843 CO 0.51 -1.07 0.11 -0.06 -0.33 0.00 0.00 177.00 176.16 3l4j s PHE 844 N -2.43 1.68 -0.26 6.54 0.40 0.62 -0.94 117.98 123.60 3l4j s PHE 844 Ca 0.65 -1.19 -0.25 0.00 -0.60 0.00 0.00 56.93 55.54 3l4j s PHE 844 Cb -0.18 -1.01 -0.00 0.00 0.51 0.00 0.00 43.02 42.34 3l4j s PHE 844 CO 0.40 -0.30 0.84 1.21 0.70 0.00 0.00 175.22 178.07 3l4j s ASN 845 N -3.41 6.81 0.33 1.36 3.84 -1.26 -4.52 114.94 118.09 3l4j s ASN 845 Ca 0.35 0.97 0.09 0.00 0.21 0.00 0.00 52.86 54.48 3l4j s ASN 845 Cb 0.07 -2.44 0.84 0.00 -0.55 0.00 0.00 41.25 39.17 3l4j s ASN 845 CO 0.15 -0.56 1.78 -0.65 -2.79 0.00 0.00 177.10 175.03 3l4j h PRO 846 N 7.79 0.64 -0.23 0.43 0.11 -1.93 0.11 132.00 138.91 3l4j h PRO 846 Ca -0.23 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3l4j h PRO 846 Cb 1.09 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.05 3l4j h PRO 846 CO 0.89 0.42 0.07 -0.07 -0.21 0.00 0.00 178.00 179.10 3l4j h LEU 847 N 0.66 0.34 -0.77 2.35 3.38 -1.99 -0.25 115.31 119.03 3l4j h LEU 847 Ca 0.58 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 3l4j h LEU 847 Cb 1.04 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3l4j h LEU 847 CO -0.36 0.46 0.19 -0.33 0.09 0.00 0.00 178.44 178.49 3l4j h GLU 848 N 0.21 1.12 -0.63 1.13 4.39 -1.65 -1.53 114.58 117.61 3l4j h GLU 848 Ca 0.07 -0.25 0.01 0.00 0.34 0.00 0.00 59.36 59.54 3l4j h GLU 848 Cb 0.24 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 3l4j h GLU 848 CO -0.00 0.97 0.41 0.82 -1.16 0.00 0.00 179.01 180.05 3l4j h ILE 849 N 1.07 1.13 0.00 3.13 2.04 -0.56 -1.72 117.51 122.60 3l4j h ILE 849 Ca 0.23 -0.28 -0.07 0.00 1.00 0.00 0.00 64.86 65.73 3l4j h ILE 849 Cb 0.34 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 3l4j h ILE 849 CO -0.00 0.15 -0.34 0.40 0.00 0.00 0.00 178.15 178.36 3l4j h ILE 850 N 0.83 0.87 0.24 -0.67 2.04 -0.76 -2.33 117.51 117.73 3l4j h ILE 850 Ca 0.24 -1.36 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 3l4j h ILE 850 Cb -0.05 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3l4j h ILE 850 CO -0.07 0.33 -0.12 0.50 0.00 0.00 0.00 178.15 178.79 3l4j h LYS 851 N 0.00 -0.32 -0.70 2.37 3.64 -0.41 -2.24 116.57 118.91 3l4j h LYS 851 Ca -0.00 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3l4j h LYS 851 Cb 0.80 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 3l4j h LYS 851 CO 0.04 -0.06 0.37 -0.91 -2.27 0.00 0.00 179.45 176.63 3l4j h ASN 852 N -0.54 0.89 -0.85 4.20 4.21 -1.31 -0.62 115.58 121.57 3l4j h ASN 852 Ca -0.03 -0.11 0.14 0.00 1.21 0.00 0.00 56.30 57.51 3l4j h ASN 852 Cb 0.40 -0.23 -0.09 0.00 -1.12 0.00 0.00 38.32 37.28 3l4j h ASN 852 CO 0.05 0.74 0.44 0.40 -1.29 0.00 0.00 177.43 177.78 3l4j h ILE 853 N 0.97 0.75 -0.65 2.81 2.04 -1.42 0.24 117.51 122.26 3l4j h ILE 853 Ca 0.25 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.84 3l4j h ILE 853 Cb 0.06 0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 3l4j h ILE 853 CO -0.04 0.12 0.23 0.03 0.00 0.00 0.00 178.15 178.49 3l4j h ARG 854 N 0.64 0.98 -0.37 2.37 -0.00 -0.69 -0.66 114.38 116.67 3l4j h ARG 854 Ca 0.46 -0.19 0.05 0.00 -0.50 0.00 0.00 59.98 59.79 3l4j h ARG 854 Cb 0.62 -0.15 -0.05 0.00 0.00 0.00 0.00 29.97 30.39 3l4j h ARG 854 CO -0.35 0.84 0.10 0.45 0.00 0.00 0.00 179.97 181.01 3l4j h HIS 855 N 0.92 0.17 -0.57 3.04 3.86 0.54 -2.36 115.15 120.75 3l4j h HIS 855 Ca 0.21 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.42 3l4j h HIS 855 Cb 0.25 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3l4j h HIS 855 CO 0.02 0.05 0.26 -0.07 0.86 0.00 0.00 177.93 179.05 3l4j h LEU 856 N 0.23 0.76 -2.24 2.43 3.38 -0.43 0.20 115.31 119.65 3l4j h LEU 856 Ca 0.17 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 58.02 3l4j h LEU 856 Cb 0.18 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3l4j h LEU 856 CO -0.20 0.70 0.25 0.24 0.09 0.00 0.00 178.44 179.52 3l4j h MET 857 N 0.78 0.00 0.00 1.13 2.86 -0.67 -2.51 114.93 116.52 3l4j h MET 857 Ca 0.19 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.83 3l4j h MET 857 Cb 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.80 3l4j h MET 857 CO -0.02 0.00 -0.13 0.09 1.06 0.00 0.00 176.91 177.91 3l4j n ASN 858 N -3.20 2.10 -3.88 1.22 3.02 -0.61 -4.98 115.26 108.94 3l4j n ASN 858 Ca -0.00 -3.18 -0.29 0.00 -0.03 0.00 0.00 54.58 51.07 3l4j n ASN 858 Cb 0.34 -0.44 0.03 0.00 -0.61 0.00 0.00 39.78 39.10 3l4j n ASN 858 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3l4j n ASP 859 N -1.29 -4.66 -4.70 6.41 8.00 -0.88 -4.95 116.55 114.47 3l4j n ASP 859 Ca 0.16 -0.77 -0.24 0.00 0.71 0.00 0.00 54.79 54.65 3l4j n ASP 859 Cb 0.66 -3.97 -0.07 0.00 -0.02 0.00 0.00 41.12 37.72 3l4j n ASP 859 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3l4j s GLU 860 N -6.56 2.51 0.40 -1.24 2.02 0.60 -5.03 118.70 111.41 3l4j s GLU 860 Ca 0.61 -1.20 -0.26 0.00 0.02 0.00 0.00 54.97 54.15 3l4j s GLU 860 Cb -0.30 -2.35 -0.09 0.00 0.10 0.00 0.00 34.13 31.49 3l4j s GLU 860 CO 0.82 0.41 1.25 -2.00 0.02 0.00 0.00 175.26 175.76 3l4j s GLU 861 N -3.44 4.00 0.29 1.61 2.12 -1.26 -4.31 118.70 117.70 3l4j s GLU 861 Ca 0.30 2.02 -0.28 0.00 0.36 0.00 0.00 54.97 57.38 3l4j s GLU 861 Cb -0.08 -2.73 -0.10 0.00 0.26 0.00 0.00 34.13 31.49 3l4j s GLU 861 CO 0.21 -0.42 0.95 -0.51 -0.54 0.00 0.00 175.26 174.95 3l4j s LEU 862 N -2.45 4.46 0.48 2.70 1.43 -1.26 -4.92 118.68 119.11 3l4j s LEU 862 Ca 0.57 1.90 -0.17 0.00 -1.03 0.00 0.00 54.13 55.40 3l4j s LEU 862 Cb -0.35 -3.86 -0.08 0.00 0.03 0.00 0.00 46.19 41.93 3l4j s LEU 862 CO 0.45 0.00 0.94 -1.61 0.23 0.00 0.00 176.35 176.36 3l4j s GLU 863 N -1.72 3.99 0.15 1.70 2.02 -1.26 -5.06 118.70 118.51 3l4j s GLU 863 Ca 0.47 0.91 -0.23 0.00 0.02 0.00 0.00 54.97 56.14 3l4j s GLU 863 Cb -0.22 -2.19 -0.08 0.00 0.10 0.00 0.00 34.13 31.74 3l4j s GLU 863 CO 0.28 -0.17 0.72 -1.14 0.02 0.00 0.00 175.26 174.96 3l4j s GLN 864 N -3.81 4.45 0.15 1.61 0.74 -1.26 -4.99 119.66 116.55 3l4j s GLN 864 Ca 0.58 1.03 0.06 0.00 0.05 0.00 0.00 55.36 57.08 3l4j s GLN 864 Cb -0.10 -3.23 -0.04 0.00 1.10 0.00 0.00 33.01 30.75 3l4j s GLN 864 CO 0.27 0.58 0.06 -1.64 -0.55 0.00 0.00 175.29 174.01 3l4j s MET 865 N -1.20 2.66 0.07 1.67 -1.94 -1.26 -5.13 119.30 114.17 3l4j s MET 865 Ca 0.35 -0.95 0.07 0.00 -1.71 0.00 0.00 55.69 53.45 3l4j s MET 865 Cb -0.22 -2.52 -0.03 0.00 2.01 0.00 0.00 34.83 34.07 3l4j s MET 865 CO 0.24 0.49 -0.18 -1.01 -0.01 0.00 0.00 175.02 174.55 3l4j s HIS 866 N -1.66 1.53 0.18 -0.03 0.09 -1.26 -5.03 115.29 109.12 3l4j s HIS 866 Ca 0.29 -0.41 -0.31 0.00 -0.00 0.00 0.00 55.06 54.62 3l4j s HIS 866 Cb -0.10 -0.87 -0.17 0.00 -0.00 0.00 0.00 32.58 31.45 3l4j s HIS 866 CO 0.21 0.12 0.83 -2.30 -0.00 0.00 0.00 174.74 173.59 3l4j n PRO 867 N 1.38 0.48 -3.79 8.40 -0.02 -1.26 -4.57 135.00 135.62 3l4j n PRO 867 Ca -0.19 0.17 -0.14 0.00 -2.02 0.00 0.00 63.50 61.32 3l4j n PRO 867 Cb 0.54 -1.42 -0.15 0.00 -0.02 0.00 0.00 33.50 32.45 3l4j n PRO 867 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 3l4j s TRP 868 N -0.68 -0.07 -0.16 6.00 -0.00 -0.12 -4.95 118.94 118.96 3l4j s TRP 868 Ca 0.69 0.26 0.01 0.00 -0.00 0.00 0.00 56.10 57.07 3l4j s TRP 868 Cb -0.93 -0.10 0.01 0.00 -0.00 0.00 0.00 33.47 32.45 3l4j s TRP 868 CO 0.56 -0.10 -0.20 -0.06 -0.00 0.00 0.00 176.95 177.15 3l4j s PHE 869 N 0.78 2.73 0.04 5.86 0.40 -1.26 -3.77 117.98 122.76 3l4j s PHE 869 Ca -0.06 -1.44 -0.36 0.00 -0.60 0.00 0.00 56.93 54.47 3l4j s PHE 869 Cb -0.09 -1.87 -0.15 0.00 0.51 0.00 0.00 43.02 41.42 3l4j s PHE 869 CO -0.03 -0.69 1.53 -2.13 0.70 0.00 0.00 175.22 174.61 3l4j n ARG 870 N 4.33 1.57 -0.90 0.44 0.63 -1.26 -1.88 116.66 119.60 3l4j n ARG 870 Ca -0.20 0.57 0.00 0.00 -0.92 0.00 0.00 57.85 57.30 3l4j n ARG 870 Cb 0.51 -2.28 0.00 0.00 0.45 0.00 0.00 32.46 31.14 3l4j n ARG 870 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3l4j n GLY 871 N 3.24 0.53 3.82 5.14 0.00 -1.26 -4.48 105.19 112.19 3l4j n GLY 871 Ca 0.20 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3l4j n GLY 871 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3l4j s TRP 872 N -2.45 3.76 -0.13 1.61 -0.00 -0.79 -4.99 118.94 115.96 3l4j s TRP 872 Ca 0.00 1.12 0.19 0.00 -0.00 0.00 0.00 56.10 57.41 3l4j s TRP 872 Cb 0.00 -2.38 0.29 0.00 -0.00 0.00 0.00 33.47 31.38 3l4j s TRP 872 CO 0.00 0.61 1.15 0.25 -0.00 0.00 0.00 176.95 178.96 3l4j n THR 873 N 1.74 1.88 -0.96 5.86 -2.24 -1.26 -4.92 114.28 114.38 3l4j n THR 873 Ca -0.12 -2.27 0.00 0.00 -2.27 0.00 0.00 64.05 59.39 3l4j n THR 873 Cb 0.52 -0.23 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 3l4j n THR 873 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3l4j n GLY 874 N -1.42 0.45 3.15 3.38 0.00 -1.26 -4.96 105.19 104.52 3l4j n GLY 874 Ca 0.16 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 44.15 3l4j n GLY 874 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3l4j s THR 875 N 0.86 1.20 -0.11 2.61 -1.32 -1.08 -4.99 115.64 112.80 3l4j s THR 875 Ca 0.00 -0.94 -0.00 0.00 -1.21 0.00 0.00 61.69 59.53 3l4j s THR 875 Cb 0.00 -1.06 0.02 0.00 -1.51 0.00 0.00 72.50 69.96 3l4j s THR 875 CO 0.00 0.10 -0.07 -0.63 -2.21 0.00 0.00 174.62 171.81 3l4j s ILE 876 N -0.73 0.97 -0.01 5.08 1.01 -1.26 -0.95 121.20 125.31 3l4j s ILE 876 Ca 0.03 -0.26 0.07 0.00 0.00 0.00 0.00 60.65 60.50 3l4j s ILE 876 Cb -0.07 -1.00 -0.02 0.00 0.01 0.00 0.00 42.46 41.37 3l4j s ILE 876 CO 0.01 0.36 -0.24 -1.83 0.00 0.00 0.00 174.94 173.24 3l4j s GLU 877 N 1.70 2.13 -0.08 2.79 -1.05 -0.54 -4.95 118.70 118.69 3l4j s GLU 877 Ca 0.04 -0.92 -0.22 0.00 -0.15 0.00 0.00 54.97 53.73 3l4j s GLU 877 Cb -0.13 -2.10 -0.04 0.00 -0.44 0.00 0.00 34.13 31.43 3l4j s GLU 877 CO -0.08 0.56 0.64 -2.00 0.95 0.00 0.00 175.26 175.34 3l4j s GLU 878 N -0.75 4.41 -0.23 -4.83 2.12 -1.26 -0.48 118.70 117.68 3l4j s GLU 878 Ca 0.11 0.77 -0.14 0.00 0.36 0.00 0.00 54.97 56.07 3l4j s GLU 878 Cb -0.10 -3.44 -0.10 0.00 0.26 0.00 0.00 34.13 30.75 3l4j s GLU 878 CO -0.00 0.10 -0.33 -0.89 -0.54 0.00 0.00 175.26 173.60 3l4j n ILE 879 N 3.72 1.43 -4.53 -3.70 5.41 -0.81 -4.97 119.36 115.91 3l4j n ILE 879 Ca -0.03 -0.24 -0.25 0.00 1.00 0.00 0.00 62.75 63.24 3l4j n ILE 879 Cb 0.51 -1.96 -0.10 0.00 -0.71 0.00 0.00 39.64 37.38 3l4j n ILE 879 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 3l4j s GLU 880 N -2.56 1.81 0.30 0.38 2.02 -1.22 -5.05 118.70 114.37 3l4j s GLU 880 Ca -0.34 -2.03 -0.29 0.00 0.02 0.00 0.00 54.97 52.33 3l4j s GLU 880 Cb 0.11 -1.15 -0.10 0.00 0.10 0.00 0.00 34.13 33.09 3l4j s GLU 880 CO 0.44 -0.17 1.38 -2.14 0.02 0.00 0.00 175.26 174.79 3l4j s PRO 881 N -3.82 4.30 -0.06 0.39 0.02 -1.26 -2.15 135.00 132.42 3l4j s PRO 881 Ca 0.33 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.63 3l4j s PRO 881 Cb 0.08 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.52 3l4j s PRO 881 CO 0.16 -0.32 0.00 1.28 -0.33 0.00 0.00 177.00 177.79 3l4j n LEU 882 N 1.47 0.18 -3.79 -5.54 4.77 -1.26 -4.99 117.00 107.84 3l4j n LEU 882 Ca 0.03 0.01 -0.14 0.00 -0.03 0.00 0.00 56.01 55.88 3l4j n LEU 882 Cb 0.41 -0.99 -0.15 0.00 -2.33 0.00 0.00 43.42 40.35 3l4j n LEU 882 CO 0.60 -0.24 -0.32 -0.13 -1.33 0.00 0.00 177.39 175.96 3l4j s ARG 883 N -0.69 0.00 0.09 3.23 0.52 -0.91 -0.60 118.95 120.59 3l4j s ARG 883 Ca 0.00 0.18 0.02 0.00 -0.52 0.00 0.00 55.73 55.41 3l4j s ARG 883 Cb 0.00 -0.17 -0.04 0.00 0.52 0.00 0.00 34.95 35.26 3l4j s ARG 883 CO 0.00 -0.13 -0.07 0.71 0.02 0.00 0.00 175.30 175.83 3l4j s TYR 884 N 0.83 0.87 -0.03 -0.53 1.51 -0.83 -1.92 117.35 117.25 3l4j s TYR 884 Ca -0.07 -0.86 0.04 0.00 -1.01 0.00 0.00 57.07 55.17 3l4j s TYR 884 Cb -0.09 -0.50 -0.03 0.00 -0.11 0.00 0.00 41.96 41.22 3l4j s TYR 884 CO -0.03 -0.14 -0.13 1.03 -1.11 0.00 0.00 175.55 175.17 3l4j s ARG 885 N -3.52 2.47 -0.12 -0.62 0.52 0.37 -1.58 118.95 116.47 3l4j s ARG 885 Ca 0.09 -0.73 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 3l4j s ARG 885 Cb 0.03 -2.38 0.01 0.00 0.52 0.00 0.00 34.95 33.13 3l4j s ARG 885 CO -0.04 0.61 -0.20 1.41 0.02 0.00 0.00 175.30 177.10 3l4j s MET 886 N -0.93 2.76 -0.04 3.54 -2.45 0.13 -1.47 119.30 120.84 3l4j s MET 886 Ca 0.13 -0.77 0.04 0.00 -1.25 0.00 0.00 55.69 53.84 3l4j s MET 886 Cb -0.11 -2.21 -0.03 0.00 1.25 0.00 0.00 34.83 33.74 3l4j s MET 886 CO 0.02 0.03 -0.15 0.71 1.05 0.00 0.00 175.02 176.68 3l4j s TYR 887 N 0.72 2.67 0.00 4.11 2.02 -0.13 -1.24 117.35 125.51 3l4j s TYR 887 Ca -0.10 -0.18 0.00 0.00 -0.37 0.00 0.00 57.07 56.42 3l4j s TYR 887 Cb -0.16 -1.61 0.00 0.00 -0.40 0.00 0.00 41.96 39.79 3l4j s TYR 887 CO 0.01 0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.59 3l4j n GLY 888 N 2.24 -0.16 2.83 0.71 0.00 -0.66 -2.63 105.19 107.52 3l4j n GLY 888 Ca -0.17 -1.69 -0.26 0.00 0.00 0.00 0.00 46.02 43.90 3l4j n GLY 888 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3l4j s ARG 889 N 0.56 1.07 -0.08 1.61 3.52 0.11 -4.71 118.95 121.03 3l4j s ARG 889 Ca 0.00 -0.16 0.03 0.00 -0.13 0.00 0.00 55.73 55.47 3l4j s ARG 889 Cb 0.00 -1.46 0.00 0.00 -1.56 0.00 0.00 34.95 31.94 3l4j s ARG 889 CO 0.00 -0.34 -0.18 -1.50 -0.81 0.00 0.00 175.30 172.47 3l4j s ILE 890 N 1.82 1.59 0.02 4.11 2.07 -1.26 -0.17 121.20 129.38 3l4j s ILE 890 Ca 0.04 -0.76 0.04 0.00 -1.41 0.00 0.00 60.65 58.57 3l4j s ILE 890 Cb -0.13 -1.40 -0.02 0.00 0.13 0.00 0.00 42.46 41.04 3l4j s ILE 890 CO -0.07 0.46 -0.13 -0.70 -1.91 0.00 0.00 174.94 172.58 3l4j s GLU 891 N 0.42 0.93 -0.46 3.50 2.12 0.37 -4.95 118.70 120.61 3l4j s GLU 891 Ca -0.15 -0.66 -0.21 0.00 0.36 0.00 0.00 54.97 54.32 3l4j s GLU 891 Cb -0.16 -0.92 0.03 0.00 0.26 0.00 0.00 34.13 33.35 3l4j s GLU 891 CO 0.06 0.23 0.68 -1.14 -0.54 0.00 0.00 175.26 174.55 3l4j s GLN 892 N -0.89 3.26 0.00 4.30 0.74 -1.26 0.86 119.66 126.66 3l4j s GLN 892 Ca 0.02 -0.45 0.23 0.00 0.05 0.00 0.00 55.36 55.21 3l4j s GLN 892 Cb -0.07 -3.99 0.13 0.00 1.10 0.00 0.00 33.01 30.18 3l4j s GLN 892 CO 0.01 -1.10 1.18 0.44 -0.55 0.00 0.00 175.29 175.26 3l4j n ILE 893 N 5.86 0.00 -3.71 -2.34 -5.35 -0.42 -4.97 119.36 108.42 3l4j n ILE 893 Ca -0.02 -0.43 -0.07 0.00 -0.27 0.00 0.00 62.75 61.96 3l4j n ILE 893 Cb 0.47 1.41 -0.02 0.00 -1.74 0.00 0.00 39.64 39.77 3l4j n ILE 893 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3l4j s GLY 894 N -2.07 -0.27 -0.12 3.28 0.00 -1.04 -4.98 107.32 102.13 3l4j s GLY 894 Ca 0.24 0.10 -0.33 0.00 0.00 0.00 0.00 44.72 44.73 3l4j s GLY 894 CO 0.37 0.03 1.97 1.22 0.00 0.00 0.00 173.10 176.68 3l4j n ASP 895 N -0.43 3.35 -0.21 1.64 8.00 -1.26 -1.53 116.55 126.12 3l4j n ASP 895 Ca -0.07 0.81 -0.03 0.00 0.71 0.00 0.00 54.79 56.20 3l4j n ASP 895 Cb 0.61 -1.40 -0.01 0.00 -0.02 0.00 0.00 41.12 40.30 3l4j n ASP 895 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3l4j n ASN 896 N 7.75 -4.09 -3.93 -2.24 3.02 -1.26 -4.99 115.26 109.52 3l4j n ASN 896 Ca 0.25 0.07 -0.24 0.00 -0.03 0.00 0.00 54.58 54.63 3l4j n ASN 896 Cb 0.32 -1.83 -0.17 0.00 -0.61 0.00 0.00 39.78 37.49 3l4j n ASN 896 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3l4j s VAL 897 N -1.85 0.91 0.15 2.41 1.01 -0.58 -1.99 120.40 120.45 3l4j s VAL 897 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 61.98 61.75 3l4j s VAL 897 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3l4j s VAL 897 CO 0.00 0.33 0.06 -0.76 0.00 0.00 0.00 175.10 174.73 3l4j s LEU 898 N 1.22 3.59 -0.08 3.92 1.43 -0.34 -1.30 118.68 127.12 3l4j s LEU 898 Ca -0.05 -0.21 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 3l4j s LEU 898 Cb -0.14 -2.24 0.02 0.00 0.03 0.00 0.00 46.19 43.86 3l4j s LEU 898 CO -0.02 0.10 -0.09 -0.70 0.23 0.00 0.00 176.35 175.87 3l4j s GLU 899 N -2.85 1.49 -0.23 1.70 2.12 0.25 -1.31 118.70 119.87 3l4j s GLU 899 Ca 0.29 -0.30 -0.15 0.00 0.36 0.00 0.00 54.97 55.17 3l4j s GLU 899 Cb -0.10 -1.39 -0.04 0.00 0.26 0.00 0.00 34.13 32.86 3l4j s GLU 899 CO 0.21 -0.11 0.37 0.42 -0.54 0.00 0.00 175.26 175.61 3l4j s ILE 900 N 1.12 5.21 0.00 -3.70 1.01 -0.36 -0.48 121.20 124.00 3l4j s ILE 900 Ca -0.06 0.61 0.00 0.00 0.00 0.00 0.00 60.65 61.20 3l4j s ILE 900 Cb -0.14 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.63 3l4j s ILE 900 CO -0.01 0.23 0.19 0.35 0.00 0.00 0.00 174.94 175.70 3l4j n THR 901 N 4.57 0.00 -3.70 2.92 -2.24 0.76 -1.45 114.28 115.14 3l4j n THR 901 Ca -0.09 -0.50 -0.14 0.00 -2.27 0.00 0.00 64.05 61.05 3l4j n THR 901 Cb 0.51 1.00 -0.09 0.00 -2.10 0.00 0.00 70.33 69.65 3l4j n THR 901 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 3l4j s GLU 902 N -0.61 0.62 0.22 -0.78 2.56 -1.19 -4.08 118.70 115.45 3l4j s GLU 902 Ca 0.00 0.52 0.09 0.00 0.00 0.00 0.00 54.97 55.57 3l4j s GLU 902 Cb 0.00 0.30 -0.04 0.00 2.00 0.00 0.00 34.13 36.39 3l4j s GLU 902 CO 0.00 -0.11 -0.03 -0.51 -0.56 0.00 0.00 175.26 174.06 3l4j s LEU 903 N -0.09 3.17 0.33 2.70 1.43 -1.26 0.08 118.68 125.03 3l4j s LEU 903 Ca -0.03 -0.57 -0.28 0.00 -1.03 0.00 0.00 54.13 52.21 3l4j s LEU 903 Cb -0.03 -1.76 -0.12 0.00 0.03 0.00 0.00 46.19 44.31 3l4j s LEU 903 CO 0.02 0.05 1.35 -2.65 0.23 0.00 0.00 176.35 175.35 3l4j n PRO 904 N -0.49 2.25 -1.71 1.29 -0.02 -1.26 -4.52 135.00 130.53 3l4j n PRO 904 Ca -0.08 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 3l4j n PRO 904 Cb 0.57 -2.42 -0.01 0.00 -0.02 0.00 0.00 33.50 31.63 3l4j n PRO 904 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3l4j n ALA 905 N 0.62 1.53 -0.98 3.55 0.00 -1.26 -1.27 120.51 122.70 3l4j n ALA 905 Ca 0.05 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3l4j n ALA 905 Cb 0.36 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.52 3l4j n ALA 905 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3l4j n ARG 906 N 0.60 -0.11 -3.48 0.00 3.00 -1.26 -5.02 116.66 110.40 3l4j n ARG 906 Ca 0.04 0.03 -0.40 0.00 -0.01 0.00 0.00 57.85 57.50 3l4j n ARG 906 Cb 0.36 -2.97 -0.10 0.00 0.00 0.00 0.00 32.46 29.75 3l4j n ARG 906 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 3l4j s THR 907 N -2.68 5.24 0.26 0.55 2.01 -0.40 -5.08 115.64 115.54 3l4j s THR 907 Ca 0.00 -0.11 -0.23 0.00 0.31 0.00 0.00 61.69 61.65 3l4j s THR 907 Cb 0.00 -3.76 -0.09 0.00 0.01 0.00 0.00 72.50 68.66 3l4j s THR 907 CO 0.00 -0.04 0.83 0.26 -0.69 0.00 0.00 174.62 174.98 3l4j s TRP 908 N 1.84 3.71 0.30 4.92 0.23 -1.26 -4.81 118.94 123.87 3l4j s TRP 908 Ca 0.08 1.60 0.06 0.00 -2.03 0.00 0.00 56.10 55.82 3l4j s TRP 908 Cb -0.17 -2.78 0.77 0.00 0.03 0.00 0.00 33.47 31.32 3l4j s TRP 908 CO 0.11 0.31 1.75 1.15 0.96 0.00 0.00 176.95 181.23 3l4j h THR 909 N 2.77 0.62 -0.17 2.01 2.02 -1.47 -0.12 112.91 118.57 3l4j h THR 909 Ca -0.47 -0.22 -0.05 0.00 0.77 0.00 0.00 66.41 66.44 3l4j h THR 909 Cb 1.19 -0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3l4j h THR 909 CO 0.65 0.12 -0.12 0.77 0.37 0.00 0.00 175.52 177.31 3l4j h SER 910 N 0.64 0.25 -0.27 4.18 4.64 -1.54 -0.51 113.55 120.95 3l4j h SER 910 Ca 0.59 -0.05 -0.00 0.00 -0.47 0.00 0.00 61.79 61.85 3l4j h SER 910 Cb 1.01 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3l4j h SER 910 CO -0.43 0.41 0.16 0.74 -0.87 0.00 0.00 176.83 176.83 3l4j h THR 911 N 0.26 1.11 -0.02 2.95 2.02 -1.25 -0.86 112.91 117.13 3l4j h THR 911 Ca 0.05 -0.28 -0.14 0.00 0.77 0.00 0.00 66.41 66.81 3l4j h THR 911 Cb 0.37 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.57 3l4j h THR 911 CO 0.02 0.11 -0.63 0.40 0.37 0.00 0.00 175.52 175.79 3l4j h ILE 912 N 0.33 1.44 0.46 3.11 1.08 -1.45 -2.62 117.51 119.87 3l4j h ILE 912 Ca 0.10 -2.13 -0.02 0.00 -0.39 0.00 0.00 64.86 62.41 3l4j h ILE 912 Cb 0.04 2.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.93 3l4j h ILE 912 CO -0.02 0.61 -0.22 0.50 -0.69 0.00 0.00 178.15 178.33 3l4j h LYS 913 N 0.05 -0.60 -0.95 2.37 3.64 -0.80 0.15 116.57 120.42 3l4j h LYS 913 Ca -0.01 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.52 3l4j h LYS 913 Cb 1.13 0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 3l4j h LYS 913 CO 0.09 -0.36 0.61 0.93 -2.27 0.00 0.00 179.45 178.44 3l4j h GLU 914 N -0.70 0.91 -0.19 1.90 5.08 -1.18 0.24 114.58 120.64 3l4j h GLU 914 Ca -0.06 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 3l4j h GLU 914 Cb 0.52 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 3l4j h GLU 914 CO 0.10 0.60 0.07 -0.92 -1.00 0.00 0.00 179.01 177.87 3l4j h TYR 915 N 0.93 0.29 -0.47 4.33 5.03 -1.17 -1.10 116.97 124.81 3l4j h TYR 915 Ca 0.46 -0.02 -0.08 0.00 2.58 0.00 0.00 58.73 61.67 3l4j h TYR 915 Cb 0.47 -0.09 -0.02 0.00 1.55 0.00 0.00 36.73 38.65 3l4j h TYR 915 CO -0.00 0.35 -0.01 -0.07 -1.32 0.00 0.00 178.16 177.11 3l4j h LEU 916 N 0.15 0.82 -1.57 2.82 3.38 -0.20 -2.18 115.31 118.53 3l4j h LEU 916 Ca 0.06 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.83 3l4j h LEU 916 Cb 0.19 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 3l4j h LEU 916 CO -0.00 0.94 0.46 -0.07 0.09 0.00 0.00 178.44 179.85 3l4j h LEU 917 N 0.69 0.43 0.11 1.67 3.38 -0.45 -0.23 115.31 120.91 3l4j h LEU 917 Ca 0.13 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3l4j h LEU 917 Cb 0.52 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3l4j h LEU 917 CO 0.03 0.24 -0.05 0.25 0.09 0.00 0.00 178.44 179.00 3l4j h LEU 918 N 0.47 -0.12 -1.60 1.67 5.85 -0.60 -2.39 115.31 118.58 3l4j h LEU 918 Ca 0.32 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3l4j h LEU 918 Cb 0.63 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3l4j h LEU 918 CO -0.10 0.19 0.16 1.23 -0.34 0.00 0.00 178.44 179.57 3l4j h GLY 919 N -0.45 0.45 1.13 3.75 0.00 -0.84 0.69 103.07 107.81 3l4j h GLY 919 Ca -0.01 -0.19 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 3l4j h GLY 919 CO 0.02 0.18 -0.44 -2.00 0.00 0.00 0.00 176.54 174.30 3l4j h LEU 920 N 0.42 0.99 -0.59 3.11 5.85 -0.95 -0.72 115.31 123.42 3l4j h LEU 920 Ca 0.11 -0.49 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3l4j h LEU 920 Cb 0.04 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.78 3l4j h LEU 920 CO -0.02 1.29 -0.41 -1.20 -0.34 0.00 0.00 178.44 177.76 3l4j n SER 921 N -4.05 1.26 -0.58 1.25 7.64 -0.91 -4.78 113.62 113.44 3l4j n SER 921 Ca -0.03 -1.13 0.03 0.00 1.01 0.00 0.00 58.87 58.75 3l4j n SER 921 Cb 0.58 0.63 -0.01 0.00 -1.01 0.00 0.00 64.21 64.40 3l4j n SER 921 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3l4j n GLY 922 N 1.16 -1.68 3.34 0.23 0.00 0.24 -4.77 105.19 103.70 3l4j n GLY 922 Ca 0.05 -1.25 -0.12 0.00 0.00 0.00 0.00 46.02 44.71 3l4j n GLY 922 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3l4j s ASN 923 N -4.21 -0.30 0.32 1.61 2.47 0.28 -4.85 114.94 110.26 3l4j s ASN 923 Ca 0.00 -0.15 0.07 0.00 0.42 0.00 0.00 52.86 53.20 3l4j s ASN 923 Cb 0.00 0.48 0.92 0.00 -1.45 0.00 0.00 41.25 41.20 3l4j s ASN 923 CO 0.00 -0.81 1.58 -0.78 -3.72 0.00 0.00 177.10 173.37 3l4j h ASP 924 N 2.52 -0.22 0.21 -4.21 3.58 -2.00 -2.44 116.42 113.86 3l4j h ASP 924 Ca -0.33 0.27 -0.34 0.00 0.42 0.00 0.00 57.03 57.05 3l4j h ASP 924 Cb 1.24 0.41 -0.05 0.00 1.72 0.00 0.00 39.33 42.65 3l4j h ASP 924 CO 0.45 -0.37 -2.07 0.29 -2.88 0.00 0.00 179.24 174.66 3l4j n LYS 925 N -5.41 0.67 -5.07 0.28 5.02 -1.26 -4.96 118.16 107.43 3l4j n LYS 925 Ca 0.27 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.46 3l4j n LYS 925 Cb 0.91 -1.66 -0.16 0.00 -0.02 0.00 0.00 35.03 34.10 3l4j n LYS 925 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3l4j s ILE 926 N -2.55 1.74 0.37 -0.18 1.01 -0.92 -5.12 121.20 115.56 3l4j s ILE 926 Ca -0.13 -0.91 -0.25 0.00 0.00 0.00 0.00 60.65 59.35 3l4j s ILE 926 Cb 0.07 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.98 3l4j s ILE 926 CO 0.79 0.49 1.06 -1.59 0.00 0.00 0.00 174.94 175.69 3l4j s LYS 927 N -0.26 4.26 0.35 2.79 -2.85 -1.26 0.99 119.74 123.75 3l4j s LYS 927 Ca 0.02 1.58 -0.29 0.00 -1.00 0.00 0.00 55.97 56.28 3l4j s LYS 927 Cb -0.11 -2.68 -0.12 0.00 -2.06 0.00 0.00 37.83 32.86 3l4j s LYS 927 CO 0.01 -0.07 1.46 -0.35 0.10 0.00 0.00 175.35 176.51 3l4j n PRO 928 N 0.20 2.53 -0.01 1.78 -0.04 -1.26 -4.77 135.00 133.43 3l4j n PRO 928 Ca 0.04 0.89 0.00 0.00 -0.04 0.00 0.00 63.50 64.39 3l4j n PRO 928 Cb 0.49 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.35 3l4j n PRO 928 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 3l4j n TRP 929 N 0.82 0.00 -4.74 0.54 4.27 -0.34 -4.94 117.44 113.04 3l4j n TRP 929 Ca 0.04 -0.28 -0.27 0.00 -3.89 0.00 0.00 57.50 53.10 3l4j n TRP 929 Cb 0.37 -0.03 -0.17 0.00 -1.36 0.00 0.00 31.31 30.13 3l4j n TRP 929 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 3l4j s ILE 930 N -0.57 1.44 -0.10 -1.67 1.01 -0.80 -4.78 121.20 115.74 3l4j s ILE 930 Ca 0.00 -0.65 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 3l4j s ILE 930 Cb 0.00 -1.29 -0.28 0.00 0.01 0.00 0.00 42.46 40.90 3l4j s ILE 930 CO 0.00 0.42 0.74 0.50 0.00 0.00 0.00 174.94 176.60 3l4j h LYS 931 N 6.97 0.19 -2.81 2.79 3.64 -1.53 -3.37 116.57 122.45 3l4j h LYS 931 Ca -0.28 -0.32 -0.09 0.00 -1.27 0.00 0.00 60.65 58.69 3l4j h LYS 931 Cb 1.20 0.12 -0.18 0.00 -0.41 0.00 0.00 32.23 32.96 3l4j h LYS 931 CO 0.47 1.16 -0.10 0.34 -2.27 0.00 0.00 179.45 179.05 3l4j s ASP 932 N -6.79 -0.34 -0.03 4.20 2.15 -1.11 -5.00 116.67 109.75 3l4j s ASP 932 Ca -0.17 0.18 -0.02 0.00 0.43 0.00 0.00 52.55 52.97 3l4j s ASP 932 Cb 0.01 0.41 0.02 0.00 -0.30 0.00 0.00 42.92 43.06 3l4j s ASP 932 CO 0.76 -0.58 0.07 -0.32 -0.17 0.00 0.00 175.17 174.93 3l4j s MET 933 N -1.82 0.06 0.04 4.34 -2.45 -1.26 -0.41 119.30 117.79 3l4j s MET 933 Ca -0.09 0.16 0.04 0.00 -1.25 0.00 0.00 55.69 54.55 3l4j s MET 933 Cb -0.02 -0.06 -0.02 0.00 1.25 0.00 0.00 34.83 35.98 3l4j s MET 933 CO 0.02 -0.07 -0.11 -1.21 1.05 0.00 0.00 175.02 174.70 3l4j s GLU 934 N 0.44 0.74 -0.21 4.11 2.02 0.01 -5.00 118.70 120.82 3l4j s GLU 934 Ca -0.03 -0.73 -0.05 0.00 0.02 0.00 0.00 54.97 54.17 3l4j s GLU 934 Cb -0.05 -0.68 -0.03 0.00 0.10 0.00 0.00 34.13 33.47 3l4j s GLU 934 CO -0.02 0.16 0.01 -1.21 0.02 0.00 0.00 175.26 174.22 3l4j s GLU 935 N -1.27 3.63 -0.17 1.61 2.02 -1.26 -0.88 118.70 122.38 3l4j s GLU 935 Ca -0.02 -0.51 0.17 0.00 0.02 0.00 0.00 54.97 54.63 3l4j s GLU 935 Cb -0.08 -3.12 0.45 0.00 0.10 0.00 0.00 34.13 31.48 3l4j s GLU 935 CO 0.01 -0.01 1.18 1.04 0.02 0.00 0.00 175.26 177.50 3l4j n GLN 936 N 4.32 1.51 -1.88 1.61 6.02 -0.28 -5.02 117.38 123.65 3l4j n GLN 936 Ca -0.17 -3.10 -0.41 0.00 -0.01 0.00 0.00 57.00 53.30 3l4j n GLN 936 Cb 0.52 -1.24 -0.02 0.00 1.02 0.00 0.00 30.24 30.52 3l4j n GLN 936 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 3l4j s HIS 937 N -2.41 2.82 0.00 1.08 3.76 -1.25 -4.67 115.29 114.62 3l4j s HIS 937 Ca 0.37 0.99 0.00 0.00 -0.15 0.00 0.00 55.06 56.27 3l4j s HIS 937 Cb 0.37 -3.95 0.00 0.00 1.11 0.00 0.00 32.58 30.11 3l4j s HIS 937 CO -0.07 -3.05 0.00 -0.25 -0.85 0.00 0.00 174.74 170.52 3l4j n ASP 938 N 1.72 0.00 -0.37 1.40 8.00 -1.26 -4.85 116.55 121.19 3l4j n ASP 938 Ca 0.05 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.63 3l4j n ASP 938 Cb 0.39 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.67 3l4j n ASP 938 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3l4j n ASP 939 N -0.15 2.17 -1.85 -2.24 8.00 -1.26 -5.02 116.55 116.20 3l4j n ASP 939 Ca 0.00 -3.44 -0.06 0.00 0.71 0.00 0.00 54.79 51.99 3l4j n ASP 939 Cb 0.00 -0.48 -0.01 0.00 -0.02 0.00 0.00 41.12 40.60 3l4j n ASP 939 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3l4j n ASN 940 N -1.26 -0.57 -4.52 -2.24 0.23 -1.26 -5.08 115.26 100.56 3l4j n ASN 940 Ca 0.18 -1.81 -0.35 0.00 -0.53 0.00 0.00 54.58 52.07 3l4j n ASN 940 Cb 0.69 1.07 -0.12 0.00 -2.08 0.00 0.00 39.78 39.34 3l4j n ASN 940 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3l4j s ILE 941 N -2.59 4.36 -0.33 1.53 1.01 -1.26 -4.58 121.20 119.34 3l4j s ILE 941 Ca 0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 60.65 60.60 3l4j s ILE 941 Cb -0.00 -2.99 0.13 0.00 0.01 0.00 0.00 42.46 39.61 3l4j s ILE 941 CO 0.09 0.42 0.25 -0.75 0.00 0.00 0.00 174.94 174.94 3l4j s LYS 942 N 0.90 0.46 -0.27 2.79 2.20 -1.23 -3.79 119.74 120.80 3l4j s LYS 942 Ca 0.03 -0.86 -0.09 0.00 -0.36 0.00 0.00 55.97 54.68 3l4j s LYS 942 Cb -0.14 -1.03 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 3l4j s LYS 942 CO 0.02 -1.14 0.14 -0.06 -0.36 0.00 0.00 175.35 173.95 3l4j s PHE 943 N 1.58 3.16 -0.38 4.03 0.08 -0.53 -1.13 117.98 124.79 3l4j s PHE 943 Ca 0.15 -0.17 -0.13 0.00 0.12 0.00 0.00 56.93 56.89 3l4j s PHE 943 Cb -0.18 -2.32 0.01 0.00 -0.57 0.00 0.00 43.02 39.96 3l4j s PHE 943 CO -0.13 -0.27 0.26 0.42 -0.10 0.00 0.00 175.22 175.39 3l4j s ILE 944 N 1.69 5.13 -0.08 0.64 -1.09 -0.06 -1.22 121.20 126.20 3l4j s ILE 944 Ca 0.07 -0.55 0.02 0.00 -2.23 0.00 0.00 60.65 57.96 3l4j s ILE 944 Cb -0.16 -3.78 -0.02 0.00 -1.58 0.00 0.00 42.46 36.92 3l4j s ILE 944 CO 0.07 -0.19 -0.15 -0.63 -1.23 0.00 0.00 174.94 172.81 3l4j s ILE 945 N 1.67 2.95 -0.14 2.92 1.01 -0.43 -0.81 121.20 128.38 3l4j s ILE 945 Ca 0.05 -0.73 -0.00 0.00 0.00 0.00 0.00 60.65 59.96 3l4j s ILE 945 Cb -0.18 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 40.09 3l4j s ILE 945 CO 0.09 0.56 -0.13 -0.89 0.00 0.00 0.00 174.94 174.58 3l4j s THR 946 N -0.23 3.06 -0.03 2.92 2.01 0.45 -1.20 115.64 122.62 3l4j s THR 946 Ca 0.01 -0.66 0.07 0.00 0.31 0.00 0.00 61.69 61.42 3l4j s THR 946 Cb -0.13 -2.29 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 3l4j s THR 946 CO 0.03 0.52 -0.22 -0.76 -0.69 0.00 0.00 174.62 173.50 3l4j s LEU 947 N 0.42 2.28 0.56 4.42 1.43 -0.84 -1.36 118.68 125.58 3l4j s LEU 947 Ca -0.10 -0.38 -0.21 0.00 -1.03 0.00 0.00 54.13 52.40 3l4j s LEU 947 Cb -0.16 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.61 3l4j s LEU 947 CO 0.05 0.33 1.35 -0.94 0.23 0.00 0.00 176.35 177.36 3l4j s SER 948 N -0.68 5.21 0.49 2.29 1.04 -1.26 -4.75 113.70 116.04 3l4j s SER 948 Ca 0.11 2.74 0.29 0.00 0.48 0.00 0.00 55.95 59.56 3l4j s SER 948 Cb -0.10 -2.63 1.37 0.00 0.10 0.00 0.00 66.02 64.75 3l4j s SER 948 CO -0.00 -1.61 1.82 -0.65 0.98 0.00 0.00 173.24 173.78 3l4j h PRO 949 N 1.37 0.14 -0.57 4.02 0.11 -2.00 0.30 132.00 135.37 3l4j h PRO 949 Ca -0.51 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3l4j h PRO 949 Cb 1.30 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 3l4j h PRO 949 CO 0.57 0.09 0.37 0.93 -0.21 0.00 0.00 178.00 179.75 3l4j h GLU 950 N 0.15 0.76 -0.05 1.05 3.07 -2.02 -3.05 114.58 114.49 3l4j h GLU 950 Ca 0.54 -0.05 -0.21 0.00 -0.50 0.00 0.00 59.36 59.13 3l4j h GLU 950 Cb 1.83 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 29.58 3l4j h GLU 950 CO -0.11 0.52 -0.84 0.93 -1.40 0.00 0.00 179.01 178.11 3l4j h GLU 951 N 0.78 0.48 -0.42 2.33 4.39 -0.76 -3.01 114.58 118.36 3l4j h GLU 951 Ca 0.21 -0.44 0.08 0.00 0.34 0.00 0.00 59.36 59.54 3l4j h GLU 951 Cb -0.07 0.11 -0.09 0.00 -0.10 0.00 0.00 28.75 28.59 3l4j h GLU 951 CO -0.04 1.08 -0.37 0.52 -1.16 0.00 0.00 179.01 179.04 3l4j h MET 952 N 0.30 -0.26 -0.38 2.33 2.86 -1.33 0.34 114.93 118.79 3l4j h MET 952 Ca -0.06 0.02 0.02 0.00 -2.06 0.00 0.00 59.70 57.62 3l4j h MET 952 Cb 1.45 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 33.14 3l4j h MET 952 CO 0.15 -0.17 0.21 0.00 1.06 0.00 0.00 176.91 178.16 3l4j h ALA 953 N 0.66 0.47 -0.77 6.32 0.00 -1.55 -1.56 119.26 122.82 3l4j h ALA 953 Ca 0.17 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.11 3l4j h ALA 953 Cb 0.56 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.20 3l4j h ALA 953 CO -0.57 -0.13 0.49 -0.22 0.00 0.00 0.00 179.25 178.82 3l4j h LYS 954 N 0.44 0.91 -0.29 0.00 3.64 -1.25 -1.80 116.57 118.22 3l4j h LYS 954 Ca 0.15 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3l4j h LYS 954 Cb 0.02 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.62 3l4j h LYS 954 CO -0.08 0.60 0.07 1.15 -2.27 0.00 0.00 179.45 178.92 3l4j h THR 955 N 0.94 1.14 -0.39 1.00 2.02 0.34 -2.37 112.91 115.59 3l4j h THR 955 Ca 0.32 -0.51 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3l4j h THR 955 Cb 0.04 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.29 3l4j h THR 955 CO -0.12 0.18 -0.12 0.03 0.37 0.00 0.00 175.52 175.86 3l4j h ARG 956 N 0.42 0.69 -0.36 6.66 3.08 -0.43 0.45 114.38 124.89 3l4j h ARG 956 Ca 0.10 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.78 3l4j h ARG 956 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3l4j h ARG 956 CO -0.00 0.79 -0.35 -0.22 -1.07 0.00 0.00 179.97 179.11 3l4j h LYS 957 N 0.62 0.82 0.11 0.04 3.64 -1.18 -3.22 116.57 117.40 3l4j h LYS 957 Ca 0.11 -0.41 -0.27 0.00 -1.27 0.00 0.00 60.65 58.81 3l4j h LYS 957 Cb 0.57 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3l4j h LYS 957 CO 0.04 1.04 -1.28 0.82 -2.27 0.00 0.00 179.45 177.80 3l4j h ILE 958 N 0.68 1.45 0.00 2.00 2.04 -1.21 -3.50 117.51 118.97 3l4j h ILE 958 Ca 0.06 -3.05 0.00 0.00 1.00 0.00 0.00 64.86 62.87 3l4j h ILE 958 Cb 0.91 2.89 0.00 0.00 -0.74 0.00 0.00 36.82 39.88 3l4j h ILE 958 CO 0.08 0.88 0.00 0.61 0.00 0.00 0.00 178.15 179.72 3l4j n GLY 959 N 1.54 2.21 0.31 5.37 0.00 0.16 -4.61 105.19 110.17 3l4j n GLY 959 Ca -0.09 -1.36 -0.06 0.00 0.00 0.00 0.00 46.02 44.50 3l4j n GLY 959 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3l4j h PHE 960 N 0.00 1.10 -0.10 1.61 -1.00 -1.87 0.22 116.94 116.90 3l4j h PHE 960 Ca 0.00 -0.08 -0.13 0.00 2.81 0.00 0.00 57.97 60.58 3l4j h PHE 960 Cb 0.00 -0.33 0.01 0.00 3.61 0.00 0.00 35.95 39.23 3l4j h PHE 960 CO 0.00 0.84 -0.43 1.88 -1.61 0.00 0.00 178.31 178.99 3l4j h TYR 961 N 1.05 0.63 -0.32 -0.55 -1.99 -1.93 -2.45 116.97 111.41 3l4j h TYR 961 Ca 0.25 -0.27 0.03 0.00 2.00 0.00 0.00 58.73 60.74 3l4j h TYR 961 Cb 0.19 -0.10 -0.03 0.00 2.00 0.00 0.00 36.73 38.78 3l4j h TYR 961 CO 0.01 1.03 0.12 0.93 -0.00 0.00 0.00 178.16 180.25 3l4j h GLU 962 N 0.05 0.25 0.00 4.88 3.07 -1.81 -0.09 114.58 120.92 3l4j h GLU 962 Ca -0.03 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3l4j h GLU 962 Cb 1.07 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.92 3l4j h GLU 962 CO 0.09 0.16 0.00 -0.09 -1.40 0.00 0.00 179.01 177.77 3l4j h ARG 963 N 0.26 0.00 -0.64 2.33 2.43 -1.01 -3.20 114.38 114.55 3l4j h ARG 963 Ca 0.14 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 3l4j h ARG 963 Cb 0.11 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.66 3l4j h ARG 963 CO -0.14 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.51 3l4j n PHE 964 N -3.05 0.93 -3.38 2.20 3.72 -0.92 -4.97 117.46 111.98 3l4j n PHE 964 Ca 0.03 -0.52 -0.19 0.00 -0.05 0.00 0.00 57.45 56.73 3l4j n PHE 964 Cb 0.49 -0.04 0.07 0.00 -0.94 0.00 0.00 39.48 39.06 3l4j n PHE 964 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3l4j n LYS 965 N 1.32 -6.50 -1.04 -1.08 4.76 -0.76 -4.92 118.16 109.94 3l4j n LYS 965 Ca 0.22 0.70 -0.15 0.00 -2.87 0.00 0.00 58.31 56.21 3l4j n LYS 965 Cb 0.61 -5.35 0.19 0.00 -1.84 0.00 0.00 35.03 28.65 3l4j n LYS 965 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3l4j n LEU 966 N -4.17 5.56 -3.79 -0.35 4.77 -0.12 -4.83 117.00 114.08 3l4j n LEU 966 Ca -0.04 -3.70 -0.18 0.00 -0.03 0.00 0.00 56.01 52.06 3l4j n LEU 966 Cb 0.57 -0.75 -0.17 0.00 -2.33 0.00 0.00 43.42 40.74 3l4j n LEU 966 CO 0.54 1.15 -0.37 -0.63 -1.33 0.00 0.00 177.39 176.75 3l4j s ILE 967 N -3.28 0.17 0.03 -0.08 1.01 -1.26 -1.65 121.20 116.13 3l4j s ILE 967 Ca 0.51 0.14 0.03 0.00 0.00 0.00 0.00 60.65 61.34 3l4j s ILE 967 Cb 0.45 -0.30 -0.02 0.00 0.01 0.00 0.00 42.46 42.60 3l4j s ILE 967 CO 0.06 0.17 -0.09 -0.44 0.00 0.00 0.00 174.94 174.64 3l4j s SER 968 N 1.36 1.02 0.44 3.58 0.01 -0.37 -4.96 113.70 114.78 3l4j s SER 968 Ca -0.05 -0.39 -0.03 0.00 1.31 0.00 0.00 55.95 56.78 3l4j s SER 968 Cb -0.13 -0.04 -0.03 0.00 0.21 0.00 0.00 66.02 66.03 3l4j s SER 968 CO -0.02 -0.06 0.71 -2.84 0.41 0.00 0.00 173.24 171.44 3l4j s PRO 969 N -1.04 3.48 -0.13 12.44 0.02 -1.26 0.21 135.00 148.72 3l4j s PRO 969 Ca -0.03 0.00 -0.01 0.00 0.02 0.00 0.00 61.00 60.98 3l4j s PRO 969 Cb -0.07 -2.47 0.03 0.00 0.02 0.00 0.00 34.50 32.02 3l4j s PRO 969 CO 0.00 -0.12 -0.04 0.42 -0.33 0.00 0.00 177.00 176.93 3l4j s ILE 970 N -2.62 0.89 -0.16 2.83 1.01 -0.61 -4.87 121.20 117.67 3l4j s ILE 970 Ca 0.45 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.63 3l4j s ILE 970 Cb -0.10 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 3l4j s ILE 970 CO 0.42 0.21 0.23 -0.55 0.00 0.00 0.00 174.94 175.25 3l4j s SER 971 N 1.74 6.37 -0.15 3.58 0.15 -1.26 -1.96 113.70 122.17 3l4j s SER 971 Ca 0.03 0.42 0.16 0.00 0.70 0.00 0.00 55.95 57.26 3l4j s SER 971 Cb -0.14 -2.14 0.62 0.00 -1.71 0.00 0.00 66.02 62.65 3l4j s SER 971 CO -0.07 0.16 1.53 0.18 1.20 0.00 0.00 173.24 176.24 3l4j n LEU 972 N 3.34 4.41 -0.17 3.45 4.77 0.23 -4.58 117.00 128.45 3l4j n LEU 972 Ca -0.14 -2.69 0.14 0.00 -0.03 0.00 0.00 56.01 53.28 3l4j n LEU 972 Cb 0.52 -0.54 0.56 0.00 -2.33 0.00 0.00 43.42 41.63 3l4j n LEU 972 CO 0.38 0.71 0.83 0.23 -1.33 0.00 0.00 177.39 178.21 3l4j n MET 973 N 0.34 0.81 -3.25 3.23 2.81 -1.26 -4.12 117.12 115.69 3l4j n MET 973 Ca 0.23 -0.34 -0.25 0.00 -1.81 0.00 0.00 57.70 55.53 3l4j n MET 973 Cb 0.89 -1.49 -0.07 0.00 -0.71 0.00 0.00 33.22 31.84 3l4j n MET 973 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3l4j n ASN 974 N -0.80 1.58 -4.16 7.83 4.05 -1.26 -5.03 115.26 117.48 3l4j n ASN 974 Ca 0.15 -3.01 -0.39 0.00 0.45 0.00 0.00 54.58 51.78 3l4j n ASN 974 Cb 0.29 -0.64 -0.08 0.00 1.23 0.00 0.00 39.78 40.58 3l4j n ASN 974 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 177.26 174.17 3l4j s MET 975 N -1.83 2.62 -0.03 1.20 -1.94 -1.25 -0.19 119.30 117.88 3l4j s MET 975 Ca 0.38 -2.24 0.06 0.00 -1.71 0.00 0.00 55.69 52.17 3l4j s MET 975 Cb 0.19 -3.86 -0.02 0.00 2.01 0.00 0.00 34.83 33.14 3l4j s MET 975 CO -0.08 -1.18 -0.19 0.08 -0.01 0.00 0.00 175.02 173.64 3l4j s VAL 976 N 0.47 2.65 0.18 -6.03 1.01 -1.26 -1.36 120.40 116.06 3l4j s VAL 976 Ca 0.13 -0.92 -0.23 0.00 0.00 0.00 0.00 61.98 60.96 3l4j s VAL 976 Cb -0.20 -2.01 0.06 0.00 0.00 0.00 0.00 36.38 34.23 3l4j s VAL 976 CO -0.04 0.56 0.66 0.00 0.00 0.00 0.00 175.10 176.28 3l4j s ALA 977 N -0.71 -1.52 0.18 5.51 0.00 -0.73 -4.72 121.76 119.77 3l4j s ALA 977 Ca 0.11 0.31 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 3l4j s ALA 977 Cb -0.10 0.84 -0.07 0.00 0.00 0.00 0.00 23.12 23.78 3l4j s ALA 977 CO 0.00 -0.84 1.03 -0.06 0.00 0.00 0.00 175.76 175.90 3l4j s PHE 978 N -3.74 3.72 0.98 0.00 0.08 -0.69 -0.70 117.98 117.64 3l4j s PHE 978 Ca 0.04 1.72 -0.17 0.00 0.12 0.00 0.00 56.93 58.64 3l4j s PHE 978 Cb -0.02 -3.16 0.23 0.00 -0.57 0.00 0.00 43.02 39.49 3l4j s PHE 978 CO -0.07 -0.19 1.25 -0.40 -0.10 0.00 0.00 175.22 175.71 3l4j n ASP 979 N 2.26 -0.24 0.06 1.36 5.68 -0.07 -0.48 116.55 125.11 3l4j n ASP 979 Ca 0.02 -1.41 0.19 0.00 -0.50 0.00 0.00 54.79 53.08 3l4j n ASP 979 Cb 0.47 -0.98 0.71 0.00 -1.14 0.00 0.00 41.12 40.17 3l4j n ASP 979 CO 0.00 0.00 0.00 -0.65 -1.33 0.00 0.00 177.20 175.22 3l4j h PRO 980 N 0.00 0.00 -0.47 0.11 0.11 -1.95 -1.17 132.00 128.63 3l4j h PRO 980 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3l4j h PRO 980 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3l4j h PRO 980 CO 0.29 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 178.80 3l4j n HIS 981 N -4.28 0.63 -1.00 0.65 8.25 -1.26 -4.92 115.22 113.29 3l4j n HIS 981 Ca 0.07 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.22 3l4j n HIS 981 Cb 0.53 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.64 3l4j n HIS 981 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3l4j n GLY 982 N 1.34 0.44 3.59 -1.41 0.00 -0.44 -5.04 105.19 103.67 3l4j n GLY 982 Ca 0.18 -0.99 -0.35 0.00 0.00 0.00 0.00 46.02 44.85 3l4j n GLY 982 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3l4j s LYS 983 N -2.01 3.90 0.24 1.61 -0.14 -1.26 -4.80 119.74 117.28 3l4j s LYS 983 Ca 0.00 -0.37 -0.30 0.00 -1.36 0.00 0.00 55.97 53.93 3l4j s LYS 983 Cb 0.00 -3.26 -0.10 0.00 -1.68 0.00 0.00 37.83 32.79 3l4j s LYS 983 CO 0.00 0.15 1.49 -1.50 -0.76 0.00 0.00 175.35 174.73 3l4j s ILE 984 N 0.72 2.55 0.01 2.17 2.07 -1.26 -0.89 121.20 126.56 3l4j s ILE 984 Ca 0.04 0.45 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 3l4j s ILE 984 Cb -0.13 -3.29 -0.01 0.00 0.13 0.00 0.00 42.46 39.16 3l4j s ILE 984 CO 0.02 0.07 -0.02 -0.75 -1.91 0.00 0.00 174.94 172.34 3l4j s LYS 985 N -0.11 0.19 -0.23 3.50 2.20 0.13 -4.90 119.74 120.52 3l4j s LYS 985 Ca 0.62 -0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 55.93 3l4j s LYS 985 Cb -0.43 -0.08 -0.04 0.00 -1.51 0.00 0.00 37.83 35.77 3l4j s LYS 985 CO 0.42 0.02 0.10 0.21 -0.36 0.00 0.00 175.35 175.73 3l4j s LYS 986 N -0.42 3.84 -0.16 4.03 2.20 -1.26 -1.77 119.74 126.19 3l4j s LYS 986 Ca -0.03 -0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 55.05 3l4j s LYS 986 Cb -0.03 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.87 3l4j s LYS 986 CO -0.00 -0.03 0.27 0.71 -0.36 0.00 0.00 175.35 175.94 3l4j s TYR 987 N 1.22 3.47 -1.25 4.03 1.51 -0.47 -4.98 117.35 120.88 3l4j s TYR 987 Ca 0.05 0.57 0.26 0.00 -1.01 0.00 0.00 57.07 56.94 3l4j s TYR 987 Cb -0.14 -2.30 0.62 0.00 -0.11 0.00 0.00 41.96 40.03 3l4j s TYR 987 CO 0.04 0.27 1.49 0.09 -1.11 0.00 0.00 175.55 176.33 3l4j n ASN 988 N 3.46 0.64 -3.68 2.29 3.02 -1.26 -4.46 115.26 115.27 3l4j n ASN 988 Ca -0.13 -0.43 -0.14 0.00 -0.03 0.00 0.00 54.58 53.85 3l4j n ASN 988 Cb 0.52 0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.81 3l4j n ASN 988 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3l4j s SER 989 N -2.83 -0.29 0.20 6.41 1.04 -1.26 -4.98 113.70 111.99 3l4j s SER 989 Ca 0.16 0.11 -0.10 0.00 0.48 0.00 0.00 55.95 56.60 3l4j s SER 989 Cb 0.18 0.40 0.14 0.00 0.10 0.00 0.00 66.02 66.84 3l4j s SER 989 CO 0.63 -0.58 1.81 0.58 0.98 0.00 0.00 173.24 176.66 3l4j h VAL 990 N 3.32 1.23 0.00 5.02 2.07 -1.96 -2.33 116.25 123.61 3l4j h VAL 990 Ca -0.30 -0.62 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 3l4j h VAL 990 Cb 1.19 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3l4j h VAL 990 CO 0.42 0.27 -0.15 0.78 0.02 0.00 0.00 177.57 178.91 3l4j h ASN 991 N 1.04 0.00 -0.05 0.57 2.35 -1.96 -1.47 115.58 116.06 3l4j h ASN 991 Ca 0.26 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3l4j h ASN 991 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 3l4j h ASN 991 CO -0.04 0.15 0.02 -0.08 -1.65 0.00 0.00 177.43 175.83 3l4j h GLU 992 N 0.00 0.07 -0.60 0.81 4.81 -1.83 0.23 114.58 118.07 3l4j h GLU 992 Ca -0.00 -0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.29 3l4j h GLU 992 Cb 0.35 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.65 3l4j h GLU 992 CO 0.02 0.20 0.27 0.82 -0.73 0.00 0.00 179.01 179.59 3l4j h ILE 993 N -0.07 0.86 -0.44 2.32 2.04 -1.26 -0.81 117.51 120.14 3l4j h ILE 993 Ca 0.02 -0.17 -0.05 0.00 1.00 0.00 0.00 64.86 65.66 3l4j h ILE 993 Cb 0.16 0.32 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 3l4j h ILE 993 CO -0.00 0.09 0.08 0.25 0.00 0.00 0.00 178.15 178.57 3l4j h LEU 994 N 0.50 0.70 -0.85 1.44 6.46 -1.05 -2.20 115.31 120.31 3l4j h LEU 994 Ca 0.29 -0.25 -0.06 0.00 -0.12 0.00 0.00 57.88 57.73 3l4j h LEU 994 Cb 0.28 -0.19 -0.03 0.00 -0.73 0.00 0.00 40.66 40.00 3l4j h LEU 994 CO -0.24 0.78 0.17 0.28 -0.62 0.00 0.00 178.44 178.80 3l4j h SER 995 N 0.59 0.96 0.04 1.25 0.02 -0.10 0.47 113.55 116.79 3l4j h SER 995 Ca 0.14 -0.19 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 3l4j h SER 995 Cb 0.37 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.65 3l4j h SER 995 CO 0.01 0.92 -0.37 -0.08 -1.14 0.00 0.00 176.83 176.16 3l4j h GLU 996 N 0.98 0.44 0.01 3.45 4.81 -1.04 -2.80 114.58 120.43 3l4j h GLU 996 Ca 0.21 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3l4j h GLU 996 Cb 0.33 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3l4j h GLU 996 CO -0.00 0.75 -0.00 0.35 -0.73 0.00 0.00 179.01 179.38 3l4j h PHE 997 N 0.37 -0.01 -0.46 0.92 3.57 -0.99 -3.28 116.94 117.06 3l4j h PHE 997 Ca 0.04 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.63 3l4j h PHE 997 Cb 0.83 0.00 -0.08 0.00 2.79 0.00 0.00 35.95 39.49 3l4j h PHE 997 CO 0.03 0.27 -0.03 -0.92 -2.23 0.00 0.00 178.31 175.43 3l4j h TYR 998 N -0.29 -0.08 -0.18 0.41 3.20 -0.66 -0.18 116.97 119.18 3l4j h TYR 998 Ca -0.00 0.04 -0.13 0.00 3.14 0.00 0.00 58.73 61.77 3l4j h TYR 998 Cb 0.29 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 3l4j h TYR 998 CO 0.02 -0.12 -0.45 1.88 -1.64 0.00 0.00 178.16 177.85 3l4j h TYR 999 N 0.08 0.53 -0.33 -3.82 0.05 -1.62 0.22 116.97 112.08 3l4j h TYR 999 Ca 0.23 -0.16 -0.17 0.00 0.05 0.00 0.00 58.73 58.68 3l4j h TYR 999 Cb 0.34 -0.11 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3l4j h TYR 999 CO -0.32 0.81 -0.45 0.28 -1.05 0.00 0.00 178.16 177.43 3l4j h VAL 1000N 0.36 1.27 -0.65 -2.88 2.07 -1.51 -2.15 116.25 112.76 3l4j h VAL 1000Ca 0.02 -1.63 -0.06 0.00 0.82 0.00 0.00 66.70 65.86 3l4j h VAL 1000Cb 0.93 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 3l4j h VAL 1000CO 0.08 0.54 0.19 -0.09 0.02 0.00 0.00 177.57 178.30 3l4j h ARG 1001N 0.69 1.02 -0.48 1.57 9.65 -0.71 -1.84 114.38 124.29 3l4j h ARG 1001Ca 0.04 -0.23 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 3l4j h ARG 1001Cb 1.06 -0.14 -0.02 0.00 -1.39 0.00 0.00 29.97 29.47 3l4j h ARG 1001CO 0.11 0.91 0.30 1.25 2.80 0.00 0.00 179.97 185.33 3l4j h LEU 1002N 0.95 0.57 -0.71 3.80 5.85 -0.57 -2.46 115.31 122.74 3l4j h LEU 1002Ca 0.21 -0.04 0.06 0.00 0.84 0.00 0.00 57.88 58.95 3l4j h LEU 1002Cb 0.32 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.15 3l4j h LEU 1002CO -0.00 0.44 0.40 -0.08 -0.34 0.00 0.00 178.44 178.86 3l4j h GLU 1003N 0.64 0.71 0.00 1.25 4.81 -1.16 -2.59 114.58 118.23 3l4j h GLU 1003Ca 0.17 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 3l4j h GLU 1003Cb -0.03 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.19 3l4j h GLU 1003CO -0.03 0.47 0.00 0.66 -0.73 0.00 0.00 179.01 179.38 3l4j n TYR 1004N -4.76 0.69 -0.02 0.92 4.02 -0.71 -2.08 117.16 115.23 3l4j n TYR 1004Ca 0.10 0.22 -0.16 0.00 -0.01 0.00 0.00 57.90 58.05 3l4j n TYR 1004Cb 0.19 -0.86 -0.11 0.00 -0.02 0.00 0.00 39.34 38.54 3l4j n TYR 1004CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 3l4j h TYR 1005N 0.00 0.47 -0.66 -0.72 0.05 -1.04 0.21 116.97 115.28 3l4j h TYR 1005Ca 0.00 -0.24 -0.02 0.00 0.05 0.00 0.00 58.73 58.52 3l4j h TYR 1005Cb 0.57 -0.06 -0.03 0.00 1.01 0.00 0.00 36.73 38.22 3l4j h TYR 1005CO 0.00 1.03 0.32 0.37 -1.05 0.00 0.00 178.16 178.83 3l4j h GLN 1006N -0.22 0.94 -0.67 4.88 5.75 -1.50 -2.07 115.11 122.22 3l4j h GLN 1006Ca -0.05 -0.12 -0.08 0.00 -0.15 0.00 0.00 58.65 58.25 3l4j h GLN 1006Cb 1.12 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.47 3l4j h GLN 1006CO 0.08 0.72 0.09 -0.22 -2.65 0.00 0.00 178.83 176.86 3l4j h LYS 1007N 0.94 1.11 -0.65 1.69 3.64 -1.36 -1.45 116.57 120.49 3l4j h LYS 1007Ca 0.23 -0.31 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3l4j h LYS 1007Cb 0.09 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 3l4j h LYS 1007CO -0.03 1.03 0.20 -0.09 -2.27 0.00 0.00 179.45 178.28 3l4j h ARG 1008N 1.04 1.02 -0.04 1.90 2.43 -0.07 -2.11 114.38 118.55 3l4j h ARG 1008Ca 0.20 -0.22 -0.21 0.00 -0.81 0.00 0.00 59.98 58.93 3l4j h ARG 1008Cb 0.47 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.87 3l4j h ARG 1008CO 0.02 0.89 -0.86 1.57 -1.51 0.00 0.00 179.97 180.08 3l4j h LYS 1009N 0.95 0.45 -0.40 0.20 2.10 -1.28 -0.47 116.57 118.12 3l4j h LYS 1009Ca 0.21 -0.44 -0.08 0.00 -2.00 0.00 0.00 60.65 58.35 3l4j h LYS 1009Cb 0.31 0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.73 3l4j h LYS 1009CO -0.01 1.08 -0.07 -0.44 -2.00 0.00 0.00 179.45 178.02 3l4j h ASP 1010N 0.28 0.66 -0.29 7.07 3.32 -1.24 0.06 116.42 126.28 3l4j h ASP 1010Ca -0.06 -0.17 -0.19 0.00 0.02 0.00 0.00 57.03 56.63 3l4j h ASP 1010Cb 1.48 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3l4j h ASP 1010CO 0.15 0.77 -0.55 -0.74 -1.72 0.00 0.00 179.24 177.15 3l4j h HIS 1011N 0.63 1.11 -0.32 4.55 2.76 -1.26 -2.65 115.15 119.97 3l4j h HIS 1011Ca 0.12 -0.40 -0.04 0.00 -2.20 0.00 0.00 60.37 57.85 3l4j h HIS 1011Cb 0.50 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 3l4j h HIS 1011CO 0.02 1.23 0.04 0.52 -1.30 0.00 0.00 177.93 178.45 3l4j h MET 1012N 0.67 0.53 -0.81 5.26 2.86 -0.80 -1.28 114.93 121.36 3l4j h MET 1012Ca 0.01 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3l4j h MET 1012Cb 1.17 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.73 3l4j h MET 1012CO 0.12 0.63 0.46 0.66 1.06 0.00 0.00 176.91 179.84 3l4j h SER 1013N 0.35 1.00 0.42 1.22 4.64 -1.05 0.19 113.55 120.33 3l4j h SER 1013Ca 0.10 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.31 3l4j h SER 1013Cb 0.36 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 3l4j h SER 1013CO 0.01 0.80 -0.22 -0.08 -0.87 0.00 0.00 176.83 176.47 3l4j h GLU 1014N 1.13 -0.57 -0.75 4.77 4.81 -1.33 -0.22 114.58 122.41 3l4j h GLU 1014Ca 0.29 0.04 0.09 0.00 -0.13 0.00 0.00 59.36 59.65 3l4j h GLU 1014Cb 0.01 0.13 -0.07 0.00 0.63 0.00 0.00 28.75 29.45 3l4j h GLU 1014CO -0.05 -0.38 0.40 -0.09 -0.73 0.00 0.00 179.01 178.16 3l4j h ARG 1015N -0.59 0.65 -0.59 1.92 2.43 -0.96 -1.83 114.38 115.42 3l4j h ARG 1015Ca -0.05 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 58.98 3l4j h ARG 1015Cb 0.46 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.85 3l4j h ARG 1015CO 0.08 0.43 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.88 3l4j h LEU 1016N 0.67 1.02 -0.52 3.80 3.38 -0.48 -2.00 115.31 121.18 3l4j h LEU 1016Ca 0.36 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3l4j h LEU 1016Cb 0.36 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3l4j h LEU 1016CO -0.26 1.08 0.30 1.56 0.09 0.00 0.00 178.44 181.22 3l4j h GLN 1017N 0.94 0.57 -0.86 1.13 4.20 -0.38 -1.21 115.11 119.50 3l4j h GLN 1017Ca 0.16 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.82 3l4j h GLN 1017Cb 0.57 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.19 3l4j h GLN 1017CO 0.03 0.38 0.47 -1.49 -0.67 0.00 0.00 178.83 177.55 3l4j h TRP 1018N 0.59 1.18 -0.54 2.96 6.55 -1.14 -2.06 115.95 123.47 3l4j h TRP 1018Ca 0.22 -0.03 -0.03 0.00 0.95 0.00 0.00 58.89 60.00 3l4j h TRP 1018Cb 0.06 -0.38 -0.02 0.00 -0.86 0.00 0.00 29.16 27.96 3l4j h TRP 1018CO -0.08 0.82 0.24 0.93 -1.05 0.00 0.00 178.44 179.30 3l4j h GLU 1019N 1.20 0.80 -0.88 0.49 5.08 -0.78 0.63 114.58 121.11 3l4j h GLU 1019Ca 0.30 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3l4j h GLU 1019Cb 0.03 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3l4j h GLU 1019CO -0.05 0.68 0.59 0.28 -1.00 0.00 0.00 179.01 179.51 3l4j h VAL 1020N 0.74 1.21 -0.40 3.13 2.07 -1.03 0.17 116.25 122.13 3l4j h VAL 1020Ca 0.18 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.28 3l4j h VAL 1020Cb 0.17 -0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 29.85 3l4j h VAL 1020CO -0.02 0.22 0.17 -0.33 0.02 0.00 0.00 177.57 177.63 3l4j h GLU 1021N 1.18 0.60 -0.57 1.57 5.08 -0.66 0.32 114.58 122.10 3l4j h GLU 1021Ca 0.33 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.55 3l4j h GLU 1021Cb -0.11 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 3l4j h GLU 1021CO -0.08 0.55 0.21 -0.22 -1.00 0.00 0.00 179.01 178.48 3l4j h LYS 1022N 0.51 0.86 -0.51 2.33 3.64 -0.07 -1.62 116.57 121.71 3l4j h LYS 1022Ca 0.14 -0.17 -0.07 0.00 -1.27 0.00 0.00 60.65 59.28 3l4j h LYS 1022Cb 0.17 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 3l4j h LYS 1022CO -0.01 0.76 0.04 1.88 -2.27 0.00 0.00 179.45 179.84 3l4j h TYR 1023N 0.79 0.95 -0.68 1.91 0.05 -0.59 -1.97 116.97 117.43 3l4j h TYR 1023Ca 0.19 -0.15 -0.05 0.00 0.05 0.00 0.00 58.73 58.77 3l4j h TYR 1023Cb 0.23 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 37.69 3l4j h TYR 1023CO 0.01 0.87 0.25 0.77 -1.05 0.00 0.00 178.16 179.01 3l4j h SER 1024N 0.75 0.97 1.94 3.88 0.02 -0.75 -1.02 113.55 119.34 3l4j h SER 1024Ca 0.15 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3l4j h SER 1024Cb 0.47 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.76 3l4j h SER 1024CO 0.02 0.90 -0.04 -0.26 -1.14 0.00 0.00 176.83 176.30 3l4j h PHE 1025N 0.98 0.00 -0.12 3.45 0.04 -1.27 -0.88 116.94 119.15 3l4j h PHE 1025Ca 0.22 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.76 3l4j h PHE 1025Cb 0.25 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.41 3l4j h PHE 1025CO 0.02 0.04 -0.84 1.96 -0.60 0.00 0.00 178.31 178.90 3l4j h GLN 1026N 0.00 0.76 -0.54 1.51 4.20 -1.10 -1.88 115.11 118.06 3l4j h GLN 1026Ca -0.00 -0.66 -0.06 0.00 0.06 0.00 0.00 58.65 57.99 3l4j h GLN 1026Cb 1.03 0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 3l4j h GLN 1026CO 0.01 1.26 0.10 0.28 -0.67 0.00 0.00 178.83 179.80 3l4j h VAL 1027N 0.50 1.25 -0.80 -0.54 2.07 -0.97 -0.91 116.25 116.85 3l4j h VAL 1027Ca -0.07 -0.93 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 3l4j h VAL 1027Cb 1.47 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.03 3l4j h VAL 1027CO 0.17 0.34 0.38 0.50 0.02 0.00 0.00 177.57 178.98 3l4j h LYS 1028N 0.77 1.14 0.03 1.57 3.64 -1.22 0.22 116.57 122.73 3l4j h LYS 1028Ca 0.16 -0.16 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3l4j h LYS 1028Cb 0.39 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 3l4j h LYS 1028CO 0.01 0.88 -0.02 0.35 -2.27 0.00 0.00 179.45 178.40 3l4j h PHE 1029N 1.13 -0.04 -0.19 1.91 3.04 -0.83 -0.42 116.94 121.55 3l4j h PHE 1029Ca 0.27 -0.00 -0.09 0.00 3.98 0.00 0.00 57.97 62.13 3l4j h PHE 1029Cb 0.11 0.01 -0.00 0.00 2.56 0.00 0.00 35.95 38.64 3l4j h PHE 1029CO 0.01 0.02 -0.25 0.82 -2.02 0.00 0.00 178.31 176.90 3l4j h ILE 1030N -0.10 1.34 -0.33 1.41 1.08 -0.99 -2.49 117.51 117.44 3l4j h ILE 1030Ca -0.00 -1.45 0.04 0.00 -0.39 0.00 0.00 64.86 63.06 3l4j h ILE 1030Cb 0.09 1.82 -0.04 0.00 -3.07 0.00 0.00 36.82 35.62 3l4j h ILE 1030CO 0.01 0.44 0.08 0.50 -0.69 0.00 0.00 178.15 178.49 3l4j h LYS 1031N 0.17 0.20 -0.74 2.37 3.64 -0.55 0.35 116.57 122.02 3l4j h LYS 1031Ca 0.02 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3l4j h LYS 1031Cb 0.82 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.56 3l4j h LYS 1031CO 0.06 0.13 0.43 0.52 -2.27 0.00 0.00 179.45 178.32 3l4j h MET 1032N 0.21 1.01 -0.42 1.90 2.86 -1.08 0.11 114.93 119.52 3l4j h MET 1032Ca 0.15 -0.10 -0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3l4j h MET 1032Cb 0.15 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 3l4j h MET 1032CO -0.18 0.73 0.09 0.82 1.06 0.00 0.00 176.91 179.43 3l4j h ILE 1033N 1.01 1.24 0.11 -1.22 2.04 -0.96 0.68 117.51 120.40 3l4j h ILE 1033Ca 0.26 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.28 3l4j h ILE 1033Cb -0.01 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 3l4j h ILE 1033CO -0.05 0.29 -0.05 0.40 0.00 0.00 0.00 178.15 178.74 3l4j h ILE 1034N 0.54 0.94 0.00 -0.67 2.04 -0.68 -1.40 117.51 118.28 3l4j h ILE 1034Ca 0.13 -0.16 0.00 0.00 1.00 0.00 0.00 64.86 65.83 3l4j h ILE 1034Cb 0.34 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 3l4j h ILE 1034CO 0.00 0.04 0.00 -0.62 0.00 0.00 0.00 178.15 177.57 3l4j n GLU 1035N -5.12 0.01 -2.33 2.37 1.02 0.36 -4.80 120.64 112.15 3l4j n GLU 1035Ca -0.08 0.27 -0.17 0.00 -0.02 0.00 0.00 57.16 57.16 3l4j n GLU 1035Cb 0.11 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.03 3l4j n GLU 1035CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3l4j n LYS 1036N -1.28 -1.41 0.09 3.49 5.02 -0.53 -4.89 118.16 118.65 3l4j n LYS 1036Ca 0.00 0.81 0.12 0.00 -2.02 0.00 0.00 58.31 57.22 3l4j n LYS 1036Cb 0.00 -5.25 0.18 0.00 -0.02 0.00 0.00 35.03 29.94 3l4j n LYS 1036CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 3l4j h GLU 1037N -0.03 0.00 -3.31 1.97 5.08 0.14 -3.47 114.58 114.97 3l4j h GLU 1037Ca -0.40 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.77 3l4j h GLU 1037Cb 1.30 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.28 3l4j h GLU 1037CO 0.47 0.00 -0.52 -1.17 -1.00 0.00 0.00 179.01 176.79 3l4j s LEU 1038N -4.70 1.30 -0.04 1.33 2.96 -1.09 -4.95 118.68 113.49 3l4j s LEU 1038Ca 0.06 0.35 0.02 0.00 -0.22 0.00 0.00 54.13 54.34 3l4j s LEU 1038Cb 0.12 0.59 0.01 0.00 0.50 0.00 0.00 46.19 47.40 3l4j s LEU 1038CO 0.71 -0.06 -0.10 0.42 -1.32 0.00 0.00 176.35 176.00 3l4j s THR 1039N 0.15 0.86 -0.02 3.68 -4.23 -1.26 -4.32 115.64 110.49 3l4j s THR 1039Ca -0.00 -0.38 0.04 0.00 -1.18 0.00 0.00 61.69 60.17 3l4j s THR 1039Cb -0.02 -0.78 -0.06 0.00 1.34 0.00 0.00 72.50 72.99 3l4j s THR 1039CO -0.00 0.27 0.06 0.52 -0.54 0.00 0.00 174.62 174.93 3l4j n VAL 1040N 3.45 0.11 -1.74 2.29 0.31 -1.26 -4.97 118.33 116.52 3l4j n VAL 1040Ca -0.20 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.59 3l4j n VAL 1040Cb 0.53 -0.10 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 3l4j n VAL 1040CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3l4j s THR 1041N -2.22 2.61 0.00 2.52 2.01 -1.26 -4.40 115.64 114.90 3l4j s THR 1041Ca -0.02 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.09 3l4j s THR 1041Cb 0.02 -3.07 0.00 0.00 0.01 0.00 0.00 72.50 69.46 3l4j s THR 1041CO 0.17 -0.00 0.00 0.59 -0.69 0.00 0.00 174.62 174.69 3l4j n ASN 1042N 5.72 -0.64 -2.62 3.53 3.02 -1.26 -5.04 115.26 117.98 3l4j n ASN 1042Ca 0.18 0.00 -0.06 0.00 -0.03 0.00 0.00 54.58 54.66 3l4j n ASN 1042Cb 0.39 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.56 3l4j n ASN 1042CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3l4j n LYS 1043N 0.00 -1.89 -1.67 3.52 4.76 -1.26 -4.81 118.16 116.81 3l4j n LYS 1043Ca 0.00 1.80 -0.44 0.00 -2.87 0.00 0.00 58.31 56.80 3l4j n LYS 1043Cb 0.00 -4.94 -0.02 0.00 -1.84 0.00 0.00 35.03 28.23 3l4j n LYS 1043CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 3l4j n PRO 1044N -0.43 1.99 -0.25 1.97 -0.04 -1.26 -3.81 135.00 133.17 3l4j n PRO 1044Ca 0.09 0.71 0.25 0.00 -0.04 0.00 0.00 63.50 64.50 3l4j n PRO 1044Cb 0.39 -2.32 0.46 0.00 -0.04 0.00 0.00 33.50 31.98 3l4j n PRO 1044CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 3l4j n ARG 1045N 1.59 -0.05 -0.24 0.54 1.85 -1.26 0.22 116.66 119.32 3l4j n ARG 1045Ca 0.10 1.06 0.02 0.00 -1.00 0.00 0.00 57.85 58.02 3l4j n ARG 1045Cb 0.32 -1.91 0.14 0.00 -1.05 0.00 0.00 32.46 29.96 3l4j n ARG 1045CO 0.00 0.00 0.00 -0.91 -0.01 0.00 0.00 177.63 176.71 3l4j h ASN 1046N 0.00 0.36 1.67 2.89 2.35 -2.00 0.26 115.58 121.11 3l4j h ASN 1046Ca 0.65 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 56.48 3l4j h ASN 1046Cb 1.74 0.02 0.00 0.00 0.05 0.00 0.00 38.32 40.14 3l4j h ASN 1046CO -0.59 0.20 0.00 0.00 -1.65 0.00 0.00 177.43 175.39 3l4j h ALA 1047N 1.45 1.00 0.16 -0.83 0.00 0.25 -2.92 119.26 118.36 3l4j h ALA 1047Ca 0.35 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.96 3l4j h ALA 1047Cb 0.42 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3l4j h ALA 1047CO -0.31 0.00 -1.42 0.82 0.00 0.00 0.00 179.25 178.35 3l4j h ILE 1048N 0.00 1.31 -0.59 0.00 2.04 -1.04 -3.26 117.51 115.97 3l4j h ILE 1048Ca 0.00 -2.87 -0.01 0.00 1.00 0.00 0.00 64.86 62.98 3l4j h ILE 1048Cb 0.84 2.90 -0.03 0.00 -0.74 0.00 0.00 36.82 39.79 3l4j h ILE 1048CO 0.00 0.85 0.34 0.40 0.00 0.00 0.00 178.15 179.74 3l4j h ILE 1049N 0.09 1.18 -0.58 -0.67 2.04 -0.43 -2.58 117.51 116.56 3l4j h ILE 1049Ca -0.21 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.22 3l4j h ILE 1049Cb 2.04 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.49 3l4j h ILE 1049CO 0.20 0.19 0.39 1.56 0.00 0.00 0.00 178.15 180.49 3l4j h GLN 1050N 0.80 0.77 -0.68 2.37 1.08 -1.63 -2.52 115.11 115.29 3l4j h GLN 1050Ca 0.21 -0.05 0.04 0.00 -1.45 0.00 0.00 58.65 57.40 3l4j h GLN 1050Cb 0.01 -0.17 -0.05 0.00 -0.05 0.00 0.00 27.48 27.22 3l4j h GLN 1050CO -0.04 0.51 0.41 0.93 -0.95 0.00 0.00 178.83 179.70 3l4j h GLU 1051N 0.79 0.77 -0.23 1.46 5.08 -1.55 -0.94 114.58 119.96 3l4j h GLU 1051Ca 0.21 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3l4j h GLU 1051Cb -0.09 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 28.98 3l4j h GLU 1051CO -0.05 0.51 0.09 -0.07 -1.00 0.00 0.00 179.01 178.50 3l4j h LEU 1052N 0.79 0.31 -1.08 1.33 3.38 -1.10 -1.12 115.31 117.83 3l4j h LEU 1052Ca 0.28 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 3l4j h LEU 1052Cb 0.07 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3l4j h LEU 1052CO -0.13 0.39 -0.37 1.05 0.09 0.00 0.00 178.44 179.47 3l4j h GLU 1053N 0.22 0.00 0.00 1.13 4.11 -1.35 -0.99 114.58 117.69 3l4j h GLU 1053Ca 0.08 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.46 3l4j h GLU 1053Cb 0.18 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.42 3l4j h GLU 1053CO -0.01 0.37 -0.22 -0.91 0.07 0.00 0.00 179.01 178.32 3l4j h ASN 1054N 0.00 0.00 -0.04 3.06 2.35 -0.76 -2.95 115.58 117.24 3l4j h ASN 1054Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3l4j h ASN 1054Cb 0.82 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.19 3l4j h ASN 1054CO 0.05 0.22 0.00 0.18 -1.65 0.00 0.00 177.43 176.23 3l4j n LEU 1055N -3.46 1.89 0.00 1.61 4.77 -0.46 -4.92 117.00 116.42 3l4j n LEU 1055Ca -0.00 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.33 3l4j n LEU 1055Cb 0.40 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.47 3l4j n LEU 1055CO 0.33 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 3l4j n GLY 1056N 1.22 0.73 3.66 -0.72 0.00 -1.11 -5.03 105.19 103.93 3l4j n GLY 1056Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3l4j n GLY 1056CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3l4j s PHE 1057N -2.17 2.03 0.60 1.61 0.08 -0.42 -4.99 117.98 114.71 3l4j s PHE 1057Ca 0.00 0.24 -0.16 0.00 0.12 0.00 0.00 56.93 57.13 3l4j s PHE 1057Cb 0.00 -3.89 -0.03 0.00 -0.57 0.00 0.00 43.02 38.53 3l4j s PHE 1057CO 0.00 -3.72 1.07 -1.25 -0.10 0.00 0.00 175.22 171.23 3l4j s PRO 1058N 4.01 3.21 0.53 0.24 0.04 -1.26 -4.35 135.00 137.43 3l4j s PRO 1058Ca 0.72 1.29 -0.06 0.00 0.04 0.00 0.00 61.00 63.00 3l4j s PRO 1058Cb -0.32 -2.01 -0.02 0.00 0.04 0.00 0.00 34.50 32.18 3l4j s PRO 1058CO 0.29 -0.91 0.85 1.03 0.04 0.00 0.00 177.00 178.30 3l4j s ARG 1059N -3.97 3.28 -0.03 4.56 0.52 0.69 -4.81 118.95 119.19 3l4j s ARG 1059Ca 0.65 0.14 0.03 0.00 -0.52 0.00 0.00 55.73 56.03 3l4j s ARG 1059Cb -0.18 -2.32 0.00 0.00 0.52 0.00 0.00 34.95 32.98 3l4j s ARG 1059CO 0.36 -0.43 -0.09 -0.06 0.02 0.00 0.00 175.30 175.09 3l4j s PHE 1060N -2.87 1.01 0.50 -0.53 0.08 -0.25 0.25 117.98 116.17 3l4j s PHE 1060Ca 0.51 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 57.26 3l4j s PHE 1060Cb -0.10 -0.72 0.11 0.00 -0.57 0.00 0.00 43.02 41.73 3l4j s PHE 1060CO 0.45 -0.11 0.68 0.27 -0.10 0.00 0.00 175.22 176.42 3l4j n ASN 1061N 3.32 0.53 0.17 1.36 0.23 -0.83 -1.10 115.26 118.94 3l4j n ASN 1061Ca -0.19 -1.54 0.02 0.00 -0.53 0.00 0.00 54.58 52.35 3l4j n ASN 1061Cb 0.54 -0.48 0.28 0.00 -2.08 0.00 0.00 39.78 38.04 3l4j n ASN 1061CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3l4j h LYS 1062N 0.00 0.00 0.00 -3.83 1.57 -1.91 -1.79 116.57 110.62 3l4j h LYS 1062Ca -0.22 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.50 3l4j h LYS 1062Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 3l4j h LYS 1062CO 0.20 0.47 -0.29 0.93 -0.57 0.00 0.00 179.45 180.19 3l4j h GLU 1063N 0.00 0.00 0.00 3.15 3.07 -1.95 -3.46 114.58 115.39 3l4j h GLU 1063Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3l4j h GLU 1063Cb 0.94 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.85 3l4j h GLU 1063CO 0.06 0.29 0.00 0.41 -1.40 0.00 0.00 179.01 178.37 3l4j n GLY 1064N -0.43 1.14 3.72 -3.84 0.00 -0.67 -5.09 105.19 100.02 3l4j n GLY 1064Ca -0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 3l4j n GLY 1064CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3l4j s LYS 1065N -0.20 4.63 0.41 1.61 2.20 -1.26 -4.80 119.74 122.33 3l4j s LYS 1065Ca 0.00 1.48 -0.23 0.00 -0.36 0.00 0.00 55.97 56.85 3l4j s LYS 1065Cb 0.00 -3.39 -0.09 0.00 -1.51 0.00 0.00 37.83 32.83 3l4j s LYS 1065CO 0.00 0.10 1.03 -2.14 -0.36 0.00 0.00 175.35 173.97 3l4j s PRO 1066N 0.35 4.16 -0.06 4.03 0.02 -1.26 -1.96 135.00 140.28 3l4j s PRO 1066Ca 0.49 1.43 0.03 0.00 0.02 0.00 0.00 61.00 62.97 3l4j s PRO 1066Cb -0.23 -2.47 0.01 0.00 0.02 0.00 0.00 34.50 31.83 3l4j s PRO 1066CO 0.30 -0.13 -0.13 -0.47 -0.33 0.00 0.00 177.00 176.23 3l4j s TYR 1067N -1.75 1.50 -0.16 6.54 6.14 0.14 -4.95 117.35 124.80 3l4j s TYR 1067Ca 0.59 -0.51 0.03 0.00 0.64 0.00 0.00 57.07 57.82 3l4j s TYR 1067Cb -0.20 -1.07 -0.04 0.00 0.42 0.00 0.00 41.96 41.08 3l4j s TYR 1067CO 0.25 -0.24 0.15 0.66 0.64 0.00 0.00 175.55 177.01 3l4j n TYR 1068N 3.59 0.00 -0.08 4.97 4.01 -1.26 -0.23 117.16 128.17 3l4j n TYR 1068Ca -0.21 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.43 3l4j n TYR 1068Cb 0.52 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.52 3l4j n TYR 1068CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 3l4j h GLY 1069N 0.79 0.41 0.00 2.72 0.00 -1.96 -3.48 103.07 101.54 3l4j h GLY 1069Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3l4j h GLY 1069CO 0.00 0.21 0.00 -1.14 0.00 0.00 0.00 176.54 175.61 3l4j n SER 1070N -4.78 0.00 0.00 0.19 3.41 -1.26 -5.23 113.62 105.95 3l4j n SER 1070Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3l4j n SER 1070Cb 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 3l4j n SER 1070CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3l4j n GLU 1107N 0.00 0.00 0.19 4.33 2.13 -1.26 -5.26 120.64 120.77 3l4j n GLU 1107Ca 0.00 0.00 0.14 0.00 0.66 0.00 0.00 57.16 57.96 3l4j n GLU 1107Cb 0.00 0.00 0.74 0.00 0.27 0.00 0.00 31.44 32.45 3l4j n GLU 1107CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 3l4j h GLU 1108N 0.00 0.00 -0.37 5.31 4.57 -2.00 0.72 114.58 122.81 3l4j h GLU 1108Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 3l4j h GLU 1108Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 3l4j h GLU 1108CO 0.00 0.00 -0.09 1.25 -1.18 0.00 0.00 179.01 178.99 3l4j h LEU 1109N 0.00 0.72 0.01 1.64 5.85 -2.03 -3.37 115.31 118.13 3l4j h LEU 1109Ca 0.08 -0.36 -0.38 0.00 0.84 0.00 0.00 57.88 58.06 3l4j h LEU 1109Cb 0.38 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.15 3l4j h LEU 1109CO -0.00 0.92 -2.38 -1.22 -0.34 0.00 0.00 178.44 175.42 3l4j n TYR 1110N -4.38 0.11 -0.46 1.25 4.01 -0.57 -5.01 117.16 112.11 3l4j n TYR 1110Ca -0.02 0.03 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3l4j n TYR 1110Cb 0.35 -1.02 0.00 0.00 -0.31 0.00 0.00 39.34 38.36 3l4j n TYR 1110CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3l4j n GLY 1111N 1.99 -2.93 3.31 2.72 0.00 0.24 -4.58 105.19 105.93 3l4j n GLY 1111Ca -0.38 -1.94 -0.17 0.00 0.00 0.00 0.00 46.02 43.53 3l4j n GLY 1111CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3l4j s THR 1112N -0.55 0.00 -0.27 2.61 -4.23 -0.26 -4.10 115.64 108.84 3l4j s THR 1112Ca 0.00 -1.92 0.12 0.00 -1.18 0.00 0.00 61.69 58.71 3l4j s THR 1112Cb 0.00 -2.51 0.76 0.00 1.34 0.00 0.00 72.50 72.09 3l4j s THR 1112CO 0.00 0.00 1.75 -1.22 -0.54 0.00 0.00 174.62 174.61 3l4j n TYR 1113N -0.53 2.15 0.28 3.99 4.01 -1.26 -1.09 117.16 124.72 3l4j n TYR 1113Ca 0.05 -0.98 0.15 0.00 -0.16 0.00 0.00 57.90 56.97 3l4j n TYR 1113Cb 0.63 -0.58 0.82 0.00 -0.31 0.00 0.00 39.34 39.90 3l4j n TYR 1113CO 0.00 0.00 0.00 1.49 -0.46 0.00 0.00 176.86 177.89 3l4j h GLU 1114N 3.17 0.00 0.00 -0.72 4.57 -1.96 -2.12 114.58 117.52 3l4j h GLU 1114Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 3l4j h GLU 1114Cb 2.10 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.69 3l4j h GLU 1114CO 0.59 0.07 0.00 2.48 -1.18 0.00 0.00 179.01 180.97 3l4j n TYR 1115N -3.47 0.49 -0.08 0.92 4.11 -1.26 -0.36 117.16 117.50 3l4j n TYR 1115Ca -0.02 0.19 -0.17 0.00 -0.00 0.00 0.00 57.90 57.90 3l4j n TYR 1115Cb 0.21 -0.80 -0.06 0.00 -0.00 0.00 0.00 39.34 38.69 3l4j n TYR 1115CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.86 178.14 3l4j n LEU 1116N -1.94 1.42 0.09 -3.48 4.77 -0.84 -4.55 117.00 112.47 3l4j n LEU 1116Ca 0.03 0.17 0.05 0.00 -0.03 0.00 0.00 56.01 56.23 3l4j n LEU 1116Cb 0.23 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.80 3l4j n LEU 1116CO 0.18 0.40 0.06 -0.07 -1.33 0.00 0.00 177.39 176.64 3l4j h LEU 1117N -0.52 0.00 0.00 2.23 3.38 -1.51 -3.00 115.31 115.88 3l4j h LEU 1117Ca -0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.55 3l4j h LEU 1117Cb 1.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.15 3l4j h LEU 1117CO -0.23 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.25 3l4j n GLY 1118N 1.27 -1.04 3.78 0.83 0.00 0.51 -4.84 105.19 105.70 3l4j n GLY 1118Ca -0.03 -0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3l4j n GLY 1118CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3l4j s MET 1119N -2.18 3.04 0.34 1.61 -1.94 -1.14 -4.99 119.30 114.04 3l4j s MET 1119Ca 0.39 1.34 -0.26 0.00 -1.71 0.00 0.00 55.69 55.46 3l4j s MET 1119Cb 0.20 -1.99 -0.09 0.00 2.01 0.00 0.00 34.83 34.96 3l4j s MET 1119CO 0.38 -1.06 1.01 1.03 -0.01 0.00 0.00 175.02 176.37 3l4j s ARG 1120N -4.01 4.44 0.58 2.03 1.81 -1.26 -4.91 118.95 117.63 3l4j s ARG 1120Ca 0.66 1.48 0.28 0.00 -1.72 0.00 0.00 55.73 56.44 3l4j s ARG 1120Cb -0.19 -2.78 1.51 0.00 -0.45 0.00 0.00 34.95 33.04 3l4j s ARG 1120CO 0.38 0.11 1.97 0.82 -0.68 0.00 0.00 175.30 177.90 3l4j h ILE 1121N 2.54 0.46 -1.01 1.52 2.04 -1.96 0.81 117.51 121.92 3l4j h ILE 1121Ca -0.47 0.00 0.22 0.00 1.00 0.00 0.00 64.86 65.61 3l4j h ILE 1121Cb 1.20 0.69 -0.12 0.00 -0.74 0.00 0.00 36.82 37.86 3l4j h ILE 1121CO 0.64 0.00 0.60 -0.50 0.00 0.00 0.00 178.15 178.90 3l4j h TRP 1122N 0.00 1.03 0.00 1.37 4.06 -1.99 -1.71 115.95 118.72 3l4j h TRP 1122Ca 0.19 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.18 3l4j h TRP 1122Cb 0.99 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.85 3l4j h TRP 1122CO 0.00 0.13 0.04 0.66 -3.56 0.00 0.00 178.44 175.71 3l4j h SER 1123N 0.65 0.00 1.20 -3.49 4.64 0.30 -0.81 113.55 116.04 3l4j h SER 1123Ca 0.62 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.94 3l4j h SER 1123Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3l4j h SER 1123CO -0.44 0.00 -0.20 0.18 -0.87 0.00 0.00 176.83 175.50 3l4j n LEU 1124N -2.62 0.68 -4.77 5.97 4.77 -0.64 -3.96 117.00 116.43 3l4j n LEU 1124Ca -0.02 0.44 -0.38 0.00 -0.03 0.00 0.00 56.01 56.02 3l4j n LEU 1124Cb 0.09 -0.30 -0.06 0.00 -2.33 0.00 0.00 43.42 40.83 3l4j n LEU 1124CO 0.14 -0.11 0.69 0.42 -1.33 0.00 0.00 177.39 177.20 3l4j s THR 1125N -3.10 3.97 0.29 -5.08 -4.23 -0.31 -4.83 115.64 102.35 3l4j s THR 1125Ca 0.10 1.71 0.04 0.00 -1.18 0.00 0.00 61.69 62.35 3l4j s THR 1125Cb 0.14 -3.98 0.29 0.00 1.34 0.00 0.00 72.50 70.28 3l4j s THR 1125CO 0.63 0.20 1.78 0.07 -0.54 0.00 0.00 174.62 176.76 3l4j h LYS 1126N 3.27 0.75 -0.78 3.99 2.10 -1.89 0.15 116.57 124.17 3l4j h LYS 1126Ca -0.47 -0.05 -0.04 0.00 -2.00 0.00 0.00 60.65 58.10 3l4j h LYS 1126Cb 1.20 -0.17 -0.04 0.00 -0.90 0.00 0.00 32.23 32.33 3l4j h LYS 1126CO 0.65 0.50 0.33 0.93 -2.00 0.00 0.00 179.45 179.86 3l4j h GLU 1127N 0.78 1.15 -0.25 0.07 5.08 -1.93 0.37 114.58 119.85 3l4j h GLU 1127Ca 0.55 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.67 3l4j h GLU 1127Cb 0.80 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 3l4j h GLU 1127CO -0.36 0.92 -0.02 0.00 -1.00 0.00 0.00 179.01 178.55 3l4j h ARG 1128N 1.13 0.45 -1.01 2.33 2.47 -1.08 -2.01 114.38 116.66 3l4j h ARG 1128Ca 0.26 -0.15 0.07 0.00 -1.26 0.00 0.00 59.98 58.90 3l4j h ARG 1128Cb 0.19 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 28.41 3l4j h ARG 1128CO -0.02 0.64 0.65 -0.92 0.56 0.00 0.00 179.97 180.87 3l4j h TYR 1129N 0.21 1.20 -0.32 3.04 5.03 -0.23 0.49 116.97 126.40 3l4j h TYR 1129Ca 0.07 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.35 3l4j h TYR 1129Cb 0.45 -0.39 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 3l4j h TYR 1129CO 0.04 0.61 -0.04 1.96 -1.32 0.00 0.00 178.16 179.41 3l4j h GLN 1130N 1.17 0.59 -0.82 1.82 1.08 -0.21 -2.37 115.11 116.36 3l4j h GLN 1130Ca 0.44 -0.21 -0.00 0.00 -1.45 0.00 0.00 58.65 57.43 3l4j h GLN 1130Cb 0.19 -0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 27.54 3l4j h GLN 1130CO -0.18 0.75 0.50 -0.22 -0.95 0.00 0.00 178.83 178.74 3l4j h LYS 1131N 0.37 1.10 -0.39 1.46 3.64 -0.61 -1.36 116.57 120.80 3l4j h LYS 1131Ca 0.08 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.31 3l4j h LYS 1131Cb 0.52 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3l4j h LYS 1131CO 0.02 0.77 -0.02 1.25 -2.27 0.00 0.00 179.45 179.20 3l4j h LEU 1132N 1.13 0.59 -0.54 5.20 5.85 -0.76 -1.13 115.31 125.65 3l4j h LEU 1132Ca 0.30 -0.13 -0.16 0.00 0.84 0.00 0.00 57.88 58.73 3l4j h LEU 1132Cb -0.06 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3l4j h LEU 1132CO -0.06 0.68 -0.52 -0.07 -0.34 0.00 0.00 178.44 178.13 3l4j h LEU 1133N 0.59 0.63 -0.38 2.25 3.38 -0.84 -2.22 115.31 118.71 3l4j h LEU 1133Ca 0.12 -0.32 -0.04 0.00 0.09 0.00 0.00 57.88 57.73 3l4j h LEU 1133Cb 0.40 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3l4j h LEU 1133CO 0.02 1.03 0.09 0.11 0.09 0.00 0.00 178.44 179.78 3l4j h LYS 1134N 0.44 0.61 -0.82 1.13 1.57 -0.80 -2.01 116.57 116.70 3l4j h LYS 1134Ca 0.01 -0.15 -0.04 0.00 -1.87 0.00 0.00 60.65 58.61 3l4j h LYS 1134Cb 1.06 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.25 3l4j h LYS 1134CO 0.10 0.65 0.37 1.96 -0.57 0.00 0.00 179.45 181.95 3l4j h GLN 1135N 0.47 1.20 -0.51 3.15 4.20 -1.14 -0.12 115.11 122.36 3l4j h GLN 1135Ca 0.12 -0.19 -0.10 0.00 0.06 0.00 0.00 58.65 58.54 3l4j h GLN 1135Cb 0.31 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 3l4j h GLN 1135CO 0.00 0.94 -0.08 -0.22 -0.67 0.00 0.00 178.83 178.80 3l4j h LYS 1136N 1.18 0.95 -0.62 1.46 3.64 -1.30 -0.84 116.57 121.04 3l4j h LYS 1136Ca 0.28 -0.34 -0.07 0.00 -1.27 0.00 0.00 60.65 59.24 3l4j h LYS 1136Cb 0.16 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 3l4j h LYS 1136CO -0.03 1.01 0.10 0.37 -2.27 0.00 0.00 179.45 178.62 3l4j h GLN 1137N 0.82 1.01 -0.68 1.90 5.75 -0.99 -1.38 115.11 121.54 3l4j h GLN 1137Ca 0.13 -0.26 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 3l4j h GLN 1137Cb 0.63 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.03 3l4j h GLN 1137CO 0.04 0.93 0.22 0.93 -2.65 0.00 0.00 178.83 178.31 3l4j h GLU 1138N 0.95 1.03 -0.38 1.69 5.08 -0.79 -2.19 114.58 119.97 3l4j h GLU 1138Ca 0.19 -0.20 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 3l4j h GLU 1138Cb 0.42 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 3l4j h GLU 1138CO 0.01 0.87 -0.34 0.87 -1.00 0.00 0.00 179.01 179.43 3l4j h LYS 1139N 1.00 0.86 -0.57 2.33 1.79 -0.70 -1.75 116.57 119.52 3l4j h LYS 1139Ca 0.22 -0.42 -0.04 0.00 -2.18 0.00 0.00 60.65 58.23 3l4j h LYS 1139Cb 0.27 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 3l4j h LYS 1139CO -0.01 1.07 0.20 0.93 -1.08 0.00 0.00 179.45 180.56 3l4j h GLU 1140N 0.72 0.87 -0.54 3.15 5.08 -1.12 -1.62 114.58 121.13 3l4j h GLU 1140Ca 0.07 -0.17 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3l4j h GLU 1140Cb 0.90 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.00 3l4j h GLU 1140CO 0.08 0.77 0.12 1.15 -1.00 0.00 0.00 179.01 180.14 3l4j h THR 1141N 0.80 1.25 -0.69 1.13 2.02 -1.33 -0.49 112.91 115.59 3l4j h THR 1141Ca 0.19 -0.89 0.09 0.00 0.77 0.00 0.00 66.41 66.57 3l4j h THR 1141Cb 0.24 0.79 -0.07 0.00 -1.74 0.00 0.00 68.15 67.37 3l4j h THR 1141CO -0.01 0.32 0.34 -0.33 0.37 0.00 0.00 175.52 176.22 3l4j h GLU 1142N 0.77 0.58 -0.57 6.66 5.08 -1.16 0.18 114.58 126.11 3l4j h GLU 1142Ca 0.17 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.44 3l4j h GLU 1142Cb 0.35 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.45 3l4j h GLU 1142CO 0.00 0.38 0.14 1.25 -1.00 0.00 0.00 179.01 179.78 3l4j h LEU 1143N 0.59 0.86 -0.48 1.33 5.85 -1.01 -1.16 115.31 121.29 3l4j h LEU 1143Ca 0.34 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 3l4j h LEU 1143Cb 0.34 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3l4j h LEU 1143CO -0.26 0.87 0.11 -0.33 -0.34 0.00 0.00 178.44 178.50 3l4j h GLU 1144N 0.81 0.76 -0.72 1.25 5.08 -0.38 -2.41 114.58 118.98 3l4j h GLU 1144Ca 0.18 -0.18 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 3l4j h GLU 1144Cb 0.34 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3l4j h GLU 1144CO 0.00 0.75 0.30 -0.91 -1.00 0.00 0.00 179.01 178.15 3l4j h ASN 1145N 0.65 0.98 -0.19 1.42 2.35 -0.64 -3.12 115.58 117.02 3l4j h ASN 1145Ca 0.15 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 3l4j h ASN 1145Cb 0.33 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3l4j h ASN 1145CO 0.00 0.87 0.11 0.25 -1.65 0.00 0.00 177.43 177.02 3l4j h LEU 1146N 1.02 0.23 -1.97 1.61 5.85 -1.08 -2.49 115.31 118.48 3l4j h LEU 1146Ca 0.24 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 3l4j h LEU 1146Cb 0.19 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3l4j h LEU 1146CO -0.02 0.23 -0.07 -0.07 -0.34 0.00 0.00 178.44 178.17 3l4j h LEU 1147N 0.22 0.00 0.00 2.25 3.38 -1.42 -1.54 115.31 118.19 3l4j h LEU 1147Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 3l4j h LEU 1147Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3l4j h LEU 1147CO -0.01 0.07 0.00 0.29 0.09 0.00 0.00 178.44 178.87 3l4j n LYS 1148N -4.26 0.81 -4.31 1.13 5.02 -0.94 -4.84 118.16 110.77 3l4j n LYS 1148Ca -0.03 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 55.98 3l4j n LYS 1148Cb 0.15 -1.16 -0.11 0.00 -0.02 0.00 0.00 35.03 33.89 3l4j n LYS 1148CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3l4j s LEU 1149N -1.32 2.78 0.32 -0.35 1.43 -0.58 -5.11 118.68 115.85 3l4j s LEU 1149Ca 0.12 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.67 3l4j s LEU 1149Cb 0.06 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.72 3l4j s LEU 1149CO 0.09 0.14 0.46 -0.94 0.23 0.00 0.00 176.35 176.34 3l4j s SER 1150N -2.48 6.08 0.18 2.29 1.04 -1.26 -4.99 113.70 114.57 3l4j s SER 1150Ca 0.21 -0.01 -0.15 0.00 0.48 0.00 0.00 55.95 56.47 3l4j s SER 1150Cb -0.10 -1.51 0.16 0.00 0.10 0.00 0.00 66.02 64.67 3l4j s SER 1150CO 0.12 -0.34 1.66 0.00 0.98 0.00 0.00 173.24 175.65 3l4j h ALA 1151N 0.91 0.35 -0.22 5.32 0.00 -1.94 -0.95 119.26 122.73 3l4j h ALA 1151Ca -0.48 0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3l4j h ALA 1151Cb 1.25 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.38 3l4j h ALA 1151CO 0.56 -0.43 -0.03 0.87 0.00 0.00 0.00 179.25 180.22 3l4j h LYS 1152N 0.02 0.33 -0.40 0.00 1.57 -1.95 -1.37 116.57 114.77 3l4j h LYS 1152Ca 0.24 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 3l4j h LYS 1152Cb 0.37 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3l4j h LYS 1152CO -0.49 0.39 0.22 -0.44 -0.57 0.00 0.00 179.45 178.55 3l4j h ASP 1153N 0.32 0.50 -0.11 0.86 3.32 -1.58 -0.33 116.42 119.40 3l4j h ASP 1153Ca 0.07 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.01 3l4j h ASP 1153Cb 0.27 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3l4j h ASP 1153CO 0.01 0.44 -0.03 0.40 -1.72 0.00 0.00 179.24 178.34 3l4j h ILE 1154N 0.52 1.29 -0.80 0.35 2.04 -0.92 -1.40 117.51 118.59 3l4j h ILE 1154Ca 0.14 -0.97 0.14 0.00 1.00 0.00 0.00 64.86 65.17 3l4j h ILE 1154Cb 0.05 1.72 -0.09 0.00 -0.74 0.00 0.00 36.82 37.76 3l4j h ILE 1154CO -0.02 0.28 0.37 -0.25 0.00 0.00 0.00 178.15 178.53 3l4j h TRP 1155N -0.11 0.65 -0.28 1.37 2.91 -1.21 -0.99 115.95 118.28 3l4j h TRP 1155Ca 0.03 0.03 -0.10 0.00 1.13 0.00 0.00 58.89 59.98 3l4j h TRP 1155Cb 0.45 -0.17 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 3l4j h TRP 1155CO 0.05 0.13 -0.25 -0.97 -1.03 0.00 0.00 178.44 176.38 3l4j h ASN 1156N 0.54 0.56 -0.59 2.65 -1.24 -0.78 0.42 115.58 117.14 3l4j h ASN 1156Ca 0.44 -0.19 -0.09 0.00 0.71 0.00 0.00 56.30 57.16 3l4j h ASN 1156Cb 0.63 -0.15 -0.02 0.00 0.73 0.00 0.00 38.32 39.50 3l4j h ASN 1156CO -0.37 0.80 0.00 0.74 -1.29 0.00 0.00 177.43 177.30 3l4j h THR 1157N 0.48 1.27 -0.57 -3.57 2.02 -0.20 -2.04 112.91 110.30 3l4j h THR 1157Ca 0.07 -1.14 -0.10 0.00 0.77 0.00 0.00 66.41 66.01 3l4j h THR 1157Cb 0.69 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 3l4j h THR 1157CO 0.05 0.41 -0.03 0.44 0.37 0.00 0.00 175.52 176.76 3l4j h ASP 1158N 0.94 1.01 -0.50 4.18 3.32 -0.80 -2.58 116.42 121.99 3l4j h ASP 1158Ca 0.17 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.89 3l4j h ASP 1158Cb 0.55 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 3l4j h ASP 1158CO 0.03 1.09 0.27 -0.07 -1.72 0.00 0.00 179.24 178.84 3l4j h LEU 1159N 0.91 0.62 -0.59 1.55 3.38 -0.69 -1.35 115.31 119.15 3l4j h LEU 1159Ca 0.16 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.89 3l4j h LEU 1159Cb 0.59 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 3l4j h LEU 1159CO 0.04 0.54 -0.37 0.07 0.09 0.00 0.00 178.44 178.80 3l4j h LYS 1160N 0.66 0.71 -0.71 1.13 2.10 -1.36 -0.51 116.57 118.59 3l4j h LYS 1160Ca 0.17 -0.36 0.01 0.00 -2.00 0.00 0.00 60.65 58.47 3l4j h LYS 1160Cb 0.06 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.36 3l4j h LYS 1160CO -0.03 0.97 0.46 0.00 -2.00 0.00 0.00 179.45 178.86 3l4j h ALA 1161N 0.99 1.49 -0.12 0.07 0.00 -1.23 -1.99 119.26 118.47 3l4j h ALA 1161Ca 0.05 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.75 3l4j h ALA 1161Cb 0.91 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3l4j h ALA 1161CO 0.08 0.47 -0.56 0.35 0.00 0.00 0.00 179.25 179.59 3l4j h PHE 1162N 0.96 0.80 -0.42 0.00 3.04 -0.78 -2.16 116.94 118.38 3l4j h PHE 1162Ca 0.26 -0.35 0.07 0.00 3.98 0.00 0.00 57.97 61.93 3l4j h PHE 1162Cb -0.10 -0.12 -0.06 0.00 2.56 0.00 0.00 35.95 38.22 3l4j h PHE 1162CO 0.00 1.14 0.04 0.93 -2.02 0.00 0.00 178.31 178.40 3l4j h GLU 1163N 0.23 0.15 -0.61 1.11 5.08 -0.81 1.54 114.58 121.27 3l4j h GLU 1163Ca -0.04 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3l4j h GLU 1163Cb 1.20 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.38 3l4j h GLU 1163CO 0.12 0.10 0.37 0.28 -1.00 0.00 0.00 179.01 178.87 3l4j h VAL 1164N 0.15 1.05 0.00 3.13 2.07 -1.40 -0.70 116.25 120.56 3l4j h VAL 1164Ca 0.20 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.39 3l4j h VAL 1164Cb 0.28 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.31 3l4j h VAL 1164CO -0.31 0.13 -0.42 1.23 0.02 0.00 0.00 177.57 178.22 3l4j h GLY 1165N 0.71 0.00 1.44 2.17 0.00 -0.45 -2.99 103.07 103.95 3l4j h GLY 1165Ca 0.25 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.33 3l4j h GLY 1165CO -0.12 0.00 -1.06 -1.82 0.00 0.00 0.00 176.54 173.54 3l4j h TYR 1166N 0.00 0.74 -0.66 5.60 3.20 0.28 -2.20 116.97 123.93 3l4j h TYR 1166Ca -0.00 -0.44 0.03 0.00 3.14 0.00 0.00 58.73 61.46 3l4j h TYR 1166Cb 0.76 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.91 3l4j h TYR 1166CO 0.00 1.28 0.41 0.37 -1.64 0.00 0.00 178.16 178.57 3l4j h GLN 1167N 0.24 0.77 -0.44 1.82 5.75 -1.01 -0.23 115.11 122.01 3l4j h GLN 1167Ca -0.12 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 3l4j h GLN 1167Cb 1.72 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 30.08 3l4j h GLN 1167CO 0.19 0.51 -0.04 0.93 -2.65 0.00 0.00 178.83 177.77 3l4j h GLU 1168N 0.79 0.80 -0.31 1.69 5.08 -1.48 -2.49 114.58 118.66 3l4j h GLU 1168Ca 0.27 -0.27 0.06 0.00 -1.00 0.00 0.00 59.36 58.42 3l4j h GLU 1168Cb 0.05 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.18 3l4j h GLU 1168CO -0.12 0.88 -0.04 0.35 -1.00 0.00 0.00 179.01 179.08 3l4j h PHE 1169N 0.63 -0.10 -0.73 4.33 3.57 -0.79 0.03 116.94 123.88 3l4j h PHE 1169Ca 0.12 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.73 3l4j h PHE 1169Cb 0.55 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 39.31 3l4j h PHE 1169CO 0.04 -0.10 0.39 -0.07 -2.23 0.00 0.00 178.31 176.34 3l4j h LEU 1170N 0.04 0.54 -0.03 0.59 3.38 -0.90 0.22 115.31 119.14 3l4j h LEU 1170Ca 0.15 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3l4j h LEU 1170Cb 0.22 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 3l4j h LEU 1170CO -0.29 0.31 0.02 1.56 0.09 0.00 0.00 178.44 180.13 3l4j h GLN 1171N 0.67 0.04 -0.99 1.13 4.20 -0.85 -1.28 115.11 118.03 3l4j h GLN 1171Ca 0.35 -0.00 0.03 0.00 0.06 0.00 0.00 58.65 59.09 3l4j h GLN 1171Cb 0.33 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.05 3l4j h GLN 1171CO -0.25 0.07 0.65 0.00 -0.67 0.00 0.00 178.83 178.64 3l4j h ARG 1172N -0.01 1.25 -0.17 1.46 3.08 -0.57 0.69 114.38 120.11 3l4j h ARG 1172Ca 0.01 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3l4j h ARG 1172Cb 0.04 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 3l4j h ARG 1172CO -0.00 0.82 -0.30 0.22 -1.07 0.00 0.00 179.97 179.65 3l4j h ASP 1173N 1.28 0.34 0.50 7.04 3.58 -0.69 -0.49 116.42 127.98 3l4j h ASP 1173Ca 0.38 -0.12 -0.24 0.00 0.42 0.00 0.00 57.03 57.47 3l4j h ASP 1173Cb -0.05 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 40.91 3l4j h ASP 1173CO -0.11 0.63 -1.06 0.00 -2.88 0.00 0.00 179.24 175.82 3l4j h ALA 1174N 1.40 0.27 0.00 -0.78 0.00 -0.71 -3.17 119.26 116.27 3l4j h ALA 1174Ca 0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 3l4j h ALA 1174Cb 0.68 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3l4j h ALA 1174CO 0.05 0.90 -0.33 1.49 0.00 0.00 0.00 179.25 181.36 3l4j h GLU 1175N 0.14 0.00 -0.72 0.00 4.81 -0.62 -2.85 114.58 115.34 3l4j h GLU 1175Ca -0.10 0.00 -0.15 0.00 -0.13 0.00 0.00 59.36 58.99 3l4j h GLU 1175Cb 1.74 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 31.03 3l4j h GLU 1175CO 0.18 0.33 0.18 0.00 -0.73 0.00 0.00 179.01 178.97 3l4j n ALA 1176N -2.38 4.31 -1.49 2.92 0.00 -0.21 -5.08 120.51 118.58 3l4j n ALA 1176Ca -0.01 -2.10 0.00 0.00 0.00 0.00 0.00 53.44 51.32 3l4j n ALA 1176Cb 0.40 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.64 3l4j n ALA 1176CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37