#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kum n THR 510 N 0.00 0.00 -1.54 0.00 -1.04 -1.26 -4.81 114.28 105.62 1kum n THR 510 Ca 0.00 0.00 -0.53 0.00 -2.04 0.00 0.00 64.05 61.48 1kum n THR 510 Cb 0.00 -0.37 -0.07 0.00 -1.82 0.00 0.00 70.33 68.07 1kum n THR 510 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1kum n THR 511 N -0.00 0.27 0.53 12.58 5.66 -1.26 -4.76 114.28 127.30 1kum n THR 511 Ca 0.00 -0.17 0.12 0.00 -3.05 0.00 0.00 64.05 60.95 1kum n THR 511 Cb 0.00 -1.51 0.45 0.00 -1.55 0.00 0.00 70.33 67.72 1kum n THR 511 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1kum n PRO 512 N 7.18 0.22 0.01 1.09 -0.04 -1.26 -2.41 135.00 139.80 1kum n PRO 512 Ca 0.35 0.31 0.12 0.00 -0.04 0.00 0.00 63.50 64.24 1kum n PRO 512 Cb 0.20 -1.83 0.21 0.00 -0.04 0.00 0.00 33.50 32.04 1kum n PRO 512 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1kum n THR 513 N -2.23 0.06 -4.10 0.52 -2.24 -1.26 -3.97 114.28 101.06 1kum n THR 513 Ca 0.04 -0.06 -0.35 0.00 -2.27 0.00 0.00 64.05 61.41 1kum n THR 513 Cb 0.33 0.23 -0.08 0.00 -2.10 0.00 0.00 70.33 68.70 1kum n THR 513 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kum s ALA 514 N -3.04 3.51 -0.03 6.98 0.00 -1.01 0.15 121.76 128.32 1kum s ALA 514 Ca 0.10 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.36 1kum s ALA 514 Cb 0.17 -1.78 -0.00 0.00 0.00 0.00 0.00 23.12 21.51 1kum s ALA 514 CO 0.72 0.47 -0.13 0.08 0.00 0.00 0.00 175.76 176.90 1kum s VAL 515 N -0.52 1.07 -0.11 0.00 1.01 -0.23 -4.85 120.40 116.77 1kum s VAL 515 Ca 0.10 -0.52 -0.30 0.00 0.00 0.00 0.00 61.98 61.27 1kum s VAL 515 Cb -0.12 -0.93 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 1kum s VAL 515 CO 0.02 0.32 1.05 0.00 0.00 0.00 0.00 175.10 176.49 1kum s ALA 516 N 0.10 3.46 -0.19 5.51 0.00 -0.55 -1.66 121.76 128.43 1kum s ALA 516 Ca -0.03 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 1kum s ALA 516 Cb -0.10 -3.47 0.01 0.00 0.00 0.00 0.00 23.12 19.56 1kum s ALA 516 CO 0.01 -0.69 -0.14 0.08 0.00 0.00 0.00 175.76 175.01 1kum s VAL 517 N 2.21 2.56 -0.20 0.00 1.01 -1.06 0.22 120.40 125.13 1kum s VAL 517 Ca 0.49 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 61.50 1kum s VAL 517 Cb -0.19 -2.11 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 1kum s VAL 517 CO 0.17 0.50 0.56 0.42 0.00 0.00 0.00 175.10 176.76 1kum s THR 518 N 1.25 5.07 -0.49 3.92 -4.23 -1.18 -1.10 115.64 118.88 1kum s THR 518 Ca 0.03 1.05 -0.18 0.00 -1.18 0.00 0.00 61.69 61.41 1kum s THR 518 Cb -0.14 -3.88 0.06 0.00 1.34 0.00 0.00 72.50 69.87 1kum s THR 518 CO -0.08 0.15 0.57 -0.36 -0.54 0.00 0.00 174.62 174.37 1kum s PHE 519 N 1.74 3.09 -0.12 3.99 0.08 0.14 -1.78 117.98 125.12 1kum s PHE 519 Ca 0.26 -0.57 -0.06 0.00 0.12 0.00 0.00 56.93 56.68 1kum s PHE 519 Cb -0.16 -3.41 -0.04 0.00 -0.57 0.00 0.00 43.02 38.84 1kum s PHE 519 CO 0.10 -0.96 0.12 0.16 -0.10 0.00 0.00 175.22 174.54 1kum s ASP 520 N 2.57 6.19 -0.15 1.36 -4.77 -0.19 -1.71 116.67 119.97 1kum s ASP 520 Ca 0.13 0.40 -0.10 0.00 -3.30 0.00 0.00 52.55 49.68 1kum s ASP 520 Cb -0.20 -1.98 -0.05 0.00 -1.09 0.00 0.00 42.92 39.61 1kum s ASP 520 CO 0.11 0.39 0.18 -0.76 0.70 0.00 0.00 175.17 175.80 1kum s LEU 521 N -0.90 4.30 -0.88 2.11 1.02 -0.86 0.16 118.68 123.63 1kum s LEU 521 Ca 0.14 0.43 -0.15 0.00 0.02 0.00 0.00 54.13 54.57 1kum s LEU 521 Cb -0.12 -2.17 0.20 0.00 0.02 0.00 0.00 46.19 44.12 1kum s LEU 521 CO 0.03 0.26 0.89 0.42 0.02 0.00 0.00 176.35 177.98 1kum s THR 522 N -0.26 5.40 -0.26 5.49 -4.23 -1.08 -1.66 115.64 119.03 1kum s THR 522 Ca 0.13 -2.30 -0.03 0.00 -1.18 0.00 0.00 61.69 58.31 1kum s THR 522 Cb -0.12 -4.57 0.15 0.00 1.34 0.00 0.00 72.50 69.30 1kum s THR 522 CO 0.03 -1.17 0.49 0.00 -0.54 0.00 0.00 174.62 173.42 1kum s ALA 523 N 0.76 -1.62 -0.33 3.99 0.00 -1.12 -2.07 121.76 121.36 1kum s ALA 523 Ca 0.23 1.48 -0.01 0.00 0.00 0.00 0.00 51.96 53.66 1kum s ALA 523 Cb -0.09 -1.82 0.25 0.00 0.00 0.00 0.00 23.12 21.46 1kum s ALA 523 CO -0.09 -1.18 1.94 -2.37 0.00 0.00 0.00 175.76 174.06 1kum n THR 524 N 5.40 2.74 -0.88 0.00 5.66 -1.26 -4.72 114.28 121.23 1kum n THR 524 Ca -0.04 -1.64 -0.35 0.00 -3.05 0.00 0.00 64.05 58.97 1kum n THR 524 Cb 0.50 -1.24 0.09 0.00 -1.55 0.00 0.00 70.33 68.13 1kum n THR 524 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 1kum n THR 525 N 0.17 0.00 -0.90 1.09 -1.04 -1.26 -4.93 114.28 107.41 1kum n THR 525 Ca 0.32 -0.30 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1kum n THR 525 Cb 0.66 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.85 1kum n THR 525 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1kum n THR 526 N -3.29 0.09 -2.38 12.58 5.66 -1.26 -5.06 114.28 120.61 1kum n THR 526 Ca 0.02 -0.09 -0.25 0.00 -3.05 0.00 0.00 64.05 60.67 1kum n THR 526 Cb 0.58 1.11 0.11 0.00 -1.55 0.00 0.00 70.33 70.58 1kum n THR 526 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 1kum s TYR 527 N -0.09 1.93 -1.31 1.09 5.04 -1.26 -4.96 117.35 117.78 1kum s TYR 527 Ca 0.00 0.00 0.08 0.00 -2.44 0.00 0.00 57.07 54.71 1kum s TYR 527 Cb 0.00 -3.25 0.33 0.00 0.35 0.00 0.00 41.96 39.39 1kum s TYR 527 CO 0.00 -1.79 1.15 0.41 -1.34 0.00 0.00 175.55 173.98 1kum n GLY 528 N -3.01 1.38 0.75 8.97 0.00 -1.26 -4.90 105.19 107.13 1kum n GLY 528 Ca 0.13 -0.39 -0.06 0.00 0.00 0.00 0.00 46.02 45.70 1kum n GLY 528 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1kum n GLU 529 N 0.37 -0.73 -3.69 1.61 0.28 -1.26 -4.77 120.64 112.46 1kum n GLU 529 Ca 0.12 -0.39 -0.14 0.00 -0.16 0.00 0.00 57.16 56.59 1kum n GLU 529 Cb 0.48 -0.30 -0.09 0.00 1.43 0.00 0.00 31.44 32.97 1kum n GLU 529 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 1kum s ASN 530 N -2.03 -0.49 -0.49 -1.84 3.84 -0.94 -5.04 114.94 107.96 1kum s ASN 530 Ca 0.15 0.83 -0.19 0.00 0.21 0.00 0.00 52.86 53.86 1kum s ASN 530 Cb -0.01 0.86 0.05 0.00 -0.55 0.00 0.00 41.25 41.60 1kum s ASN 530 CO 0.11 -0.27 0.60 -0.63 -2.79 0.00 0.00 177.10 174.12 1kum s ILE 531 N -0.15 4.90 0.18 -5.21 1.09 -1.26 -2.04 121.20 118.70 1kum s ILE 531 Ca -0.03 -0.40 -0.02 0.00 -1.10 0.00 0.00 60.65 59.09 1kum s ILE 531 Cb -0.03 -4.25 0.04 0.00 -1.06 0.00 0.00 42.46 37.15 1kum s ILE 531 CO 0.02 -0.73 0.24 -1.22 -0.10 0.00 0.00 174.94 173.15 1kum n TYR 532 N 6.11 -3.82 -3.65 3.97 4.02 -1.05 -1.04 117.16 121.69 1kum n TYR 532 Ca -0.06 -0.26 -0.05 0.00 -0.01 0.00 0.00 57.90 57.52 1kum n TYR 532 Cb 0.46 -0.18 -0.07 0.00 -0.02 0.00 0.00 39.34 39.53 1kum n TYR 532 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 1kum s LEU 533 N 0.00 -0.89 0.00 7.72 2.96 0.13 -2.93 118.68 125.67 1kum s LEU 533 Ca 0.14 1.41 0.02 0.00 -0.22 0.00 0.00 54.13 55.47 1kum s LEU 533 Cb -0.00 2.11 0.02 0.00 0.50 0.00 0.00 46.19 48.81 1kum s LEU 533 CO 0.10 -0.23 0.14 0.55 -1.32 0.00 0.00 176.35 175.59 1kum n VAL 534 N 4.88 0.00 -3.85 1.68 3.14 -1.16 -1.06 118.33 121.96 1kum n VAL 534 Ca -0.16 -2.03 -0.09 0.00 -2.96 0.00 0.00 64.34 59.09 1kum n VAL 534 Cb 0.54 0.23 -0.02 0.00 -1.06 0.00 0.00 33.84 33.53 1kum n VAL 534 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1kum n GLY 535 N -0.51 2.30 0.81 7.55 0.00 -1.19 -2.98 105.19 111.17 1kum n GLY 535 Ca -0.12 -1.49 0.04 0.00 0.00 0.00 0.00 46.02 44.45 1kum n GLY 535 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kum n SER 536 N -1.73 2.30 -4.11 1.61 2.88 0.03 -3.50 113.62 111.09 1kum n SER 536 Ca -0.00 -2.17 -0.10 0.00 -1.33 0.00 0.00 58.87 55.27 1kum n SER 536 Cb 0.39 -0.37 -0.09 0.00 -0.75 0.00 0.00 64.21 63.39 1kum n SER 536 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 1kum s ILE 537 N -1.65 0.08 0.35 2.46 -4.36 -1.22 -4.93 121.20 111.94 1kum s ILE 537 Ca 0.23 -1.80 0.10 0.00 -0.26 0.00 0.00 60.65 58.91 1kum s ILE 537 Cb 0.14 -2.05 0.33 0.00 1.25 0.00 0.00 42.46 42.14 1kum s ILE 537 CO 0.12 -0.38 1.83 0.77 0.24 0.00 0.00 174.94 177.51 1kum h SER 538 N 2.77 0.65 -0.98 4.36 4.64 -1.89 0.11 113.55 123.20 1kum h SER 538 Ca -0.34 0.06 0.41 0.00 -0.47 0.00 0.00 61.79 61.44 1kum h SER 538 Cb 1.21 -0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 63.07 1kum h SER 538 CO 0.56 0.27 0.54 0.00 -0.87 0.00 0.00 176.83 177.33 1kum n GLN 539 N -4.62 -0.06 -1.54 4.77 1.13 -1.26 0.24 117.38 116.05 1kum n GLN 539 Ca 0.20 1.31 -0.32 0.00 -1.94 0.00 0.00 57.00 56.25 1kum n GLN 539 Cb 0.57 -2.37 0.06 0.00 0.11 0.00 0.00 30.24 28.61 1kum n GLN 539 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1kum n LEU 540 N -5.13 6.98 -0.84 1.08 7.99 -0.42 -4.82 117.00 121.85 1kum n LEU 540 Ca 0.36 -4.44 -0.11 0.00 -0.01 0.00 0.00 56.01 51.82 1kum n LEU 540 Cb 1.25 -0.82 -0.05 0.00 -0.11 0.00 0.00 43.42 43.70 1kum n LEU 540 CO 0.02 1.65 -0.10 0.61 -1.51 0.00 0.00 177.39 178.06 1kum n GLY 541 N -0.85 1.16 4.51 -0.72 0.00 0.67 -3.18 105.19 106.78 1kum n GLY 541 Ca 0.58 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.36 1kum n GLY 541 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1kum n ASP 542 N -0.49 0.00 -1.84 1.61 8.00 0.24 -3.30 116.55 120.76 1kum n ASP 542 Ca -0.11 0.00 -0.01 0.00 0.71 0.00 0.00 54.79 55.38 1kum n ASP 542 Cb 0.45 0.00 0.04 0.00 -0.02 0.00 0.00 41.12 41.59 1kum n ASP 542 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 1kum n TRP 543 N 0.00 -0.63 -4.76 1.24 5.03 -1.23 -3.42 117.44 113.67 1kum n TRP 543 Ca 0.00 -0.52 -0.33 0.00 3.03 0.00 0.00 57.50 59.68 1kum n TRP 543 Cb 0.00 0.85 -0.14 0.00 -1.03 0.00 0.00 31.31 31.00 1kum n TRP 543 CO 0.00 0.00 0.00 -1.21 -0.03 0.00 0.00 177.69 176.45 1kum s GLU 544 N 0.04 3.26 0.15 -0.99 2.02 -1.21 -4.98 118.70 116.99 1kum s GLU 544 Ca 0.03 -0.67 0.10 0.00 0.02 0.00 0.00 54.97 54.45 1kum s GLU 544 Cb 0.14 -2.61 -0.13 0.00 0.10 0.00 0.00 34.13 31.63 1kum s GLU 544 CO -0.04 0.29 1.26 0.00 0.02 0.00 0.00 175.26 176.80 1kum h THR 545 N 5.19 1.34 0.00 3.63 1.03 -1.94 0.63 112.91 122.79 1kum h THR 545 Ca -0.30 -2.95 0.00 0.00 -0.01 0.00 0.00 66.41 63.16 1kum h THR 545 Cb 1.20 2.65 0.00 0.00 -1.07 0.00 0.00 68.15 70.93 1kum h THR 545 CO 0.55 0.76 0.00 -1.54 -0.01 0.00 0.00 175.52 175.29 1kum n SER 546 N -3.27 0.16 -0.04 0.00 3.41 -1.26 -2.71 113.62 109.90 1kum n SER 546 Ca -0.01 0.52 0.01 0.00 -0.26 0.00 0.00 58.87 59.13 1kum n SER 546 Cb 0.88 -0.56 -0.00 0.00 -0.26 0.00 0.00 64.21 64.27 1kum n SER 546 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1kum n ASP 547 N -1.65 0.65 0.00 4.04 8.00 -1.14 -4.95 116.55 121.50 1kum n ASP 547 Ca 0.06 -0.82 0.00 0.00 0.71 0.00 0.00 54.79 54.74 1kum n ASP 547 Cb 0.34 0.48 0.00 0.00 -0.02 0.00 0.00 41.12 41.92 1kum n ASP 547 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1kum n GLY 548 N 0.56 -2.23 3.64 0.44 0.00 0.22 -4.06 105.19 103.76 1kum n GLY 548 Ca 0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.66 1kum n GLY 548 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1kum s ILE 549 N 0.00 -0.55 0.43 -0.61 1.01 -0.23 -4.77 121.20 116.49 1kum s ILE 549 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 60.65 60.40 1kum s ILE 549 Cb 0.00 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 1kum s ILE 549 CO 0.00 0.00 1.31 0.00 0.00 0.00 0.00 174.94 176.25 1kum s ALA 550 N 2.33 3.20 0.48 9.38 0.00 -1.26 0.18 121.76 136.07 1kum s ALA 550 Ca -0.08 1.25 0.08 0.00 0.00 0.00 0.00 51.96 53.21 1kum s ALA 550 Cb -0.09 -3.50 0.04 0.00 0.00 0.00 0.00 23.12 19.57 1kum s ALA 550 CO -0.19 -0.90 0.66 -0.51 0.00 0.00 0.00 175.76 174.82 1kum s LEU 551 N -2.61 3.45 0.43 0.00 1.02 -0.21 -4.84 118.68 115.92 1kum s LEU 551 Ca 0.59 -0.53 0.04 0.00 0.02 0.00 0.00 54.13 54.25 1kum s LEU 551 Cb -0.38 -2.34 -0.04 0.00 0.02 0.00 0.00 46.19 43.45 1kum s LEU 551 CO 0.49 -0.99 0.04 -0.55 0.02 0.00 0.00 176.35 175.35 1kum s SER 552 N -4.46 3.54 -0.27 2.29 0.15 -1.22 -4.64 113.70 109.09 1kum s SER 552 Ca 0.58 -1.54 0.11 0.00 0.70 0.00 0.00 55.95 55.80 1kum s SER 552 Cb -0.09 0.17 0.47 0.00 -1.71 0.00 0.00 66.02 64.86 1kum s SER 552 CO 0.35 -0.72 1.17 0.00 1.20 0.00 0.00 173.24 175.25 1kum n ALA 553 N -1.03 4.30 -0.06 5.45 0.00 -1.26 -2.72 120.51 125.19 1kum n ALA 553 Ca -0.10 -3.48 0.05 0.00 0.00 0.00 0.00 53.44 49.91 1kum n ALA 553 Cb 0.67 -0.46 0.40 0.00 0.00 0.00 0.00 19.45 20.06 1kum n ALA 553 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1kum h ASP 554 N 2.16 0.53 -0.73 0.00 3.04 -1.94 -0.72 116.42 118.77 1kum h ASP 554 Ca 0.21 -0.01 -0.43 0.00 -3.24 0.00 0.00 57.03 53.56 1kum h ASP 554 Cb 1.45 -0.13 -0.25 0.00 -1.04 0.00 0.00 39.33 39.37 1kum h ASP 554 CO 0.56 0.37 0.24 1.17 -2.04 0.00 0.00 179.24 179.54 1kum n LYS 555 N -4.47 2.37 -3.66 4.15 4.81 -1.25 -4.89 118.16 115.22 1kum n LYS 555 Ca 0.06 -3.29 -0.19 0.00 -0.87 0.00 0.00 58.31 54.01 1kum n LYS 555 Cb 0.12 -2.08 -0.17 0.00 0.02 0.00 0.00 35.03 32.92 1kum n LYS 555 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1kum s TYR 556 N -3.44 -0.02 0.12 5.64 5.04 -0.28 -1.13 117.35 123.28 1kum s TYR 556 Ca 0.53 0.34 0.00 0.00 -2.44 0.00 0.00 57.07 55.50 1kum s TYR 556 Cb 0.45 -0.42 0.00 0.00 0.35 0.00 0.00 41.96 42.34 1kum s TYR 556 CO 0.03 -0.25 0.00 -2.37 -1.34 0.00 0.00 175.55 171.62 1kum n THR 557 N 5.31 0.00 0.00 4.34 5.66 -1.25 -4.81 114.28 123.52 1kum n THR 557 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 1kum n THR 557 Cb 0.50 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.22 1kum n THR 557 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1kum n SER 558 N -2.78 0.00 0.23 1.09 2.88 -1.26 -4.92 113.62 108.86 1kum n SER 558 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1kum n SER 558 Cb 0.00 0.08 -0.06 0.00 -0.75 0.00 0.00 64.21 63.48 1kum n SER 558 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1kum h SER 559 N 0.00 -0.54 -3.28 -3.46 0.87 -1.98 -3.43 113.55 101.73 1kum h SER 559 Ca 0.00 -0.03 -0.54 0.00 -1.23 0.00 0.00 61.79 59.99 1kum h SER 559 Cb 0.00 0.14 -0.40 0.00 -0.44 0.00 0.00 62.40 61.70 1kum h SER 559 CO 0.00 -0.12 -0.77 -1.81 -0.53 0.00 0.00 176.83 173.61 1kum s ASP 560 N -4.84 3.19 -0.67 6.23 1.01 -1.26 -5.08 116.67 115.25 1kum s ASP 560 Ca -0.11 -0.99 -0.27 0.00 0.71 0.00 0.00 52.55 51.89 1kum s ASP 560 Cb 0.01 -0.69 0.03 0.00 1.01 0.00 0.00 42.92 43.28 1kum s ASP 560 CO 0.34 -0.32 1.22 -2.16 0.21 0.00 0.00 175.17 174.47 1kum s PRO 561 N 1.78 3.32 -0.28 8.23 0.04 -1.26 -3.80 135.00 143.04 1kum s PRO 561 Ca 0.00 -0.07 -0.01 0.00 0.04 0.00 0.00 61.00 60.96 1kum s PRO 561 Cb -0.17 -4.11 0.09 0.00 0.04 0.00 0.00 34.50 30.35 1kum s PRO 561 CO -0.11 -1.93 0.08 -0.51 0.04 0.00 0.00 177.00 174.57 1kum s LEU 562 N 5.30 1.93 0.00 -3.56 1.02 -0.28 -2.81 118.68 120.28 1kum s LEU 562 Ca 0.38 -1.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.07 1kum s LEU 562 Cb -0.08 -0.79 0.04 0.00 0.02 0.00 0.00 46.19 45.37 1kum s LEU 562 CO 0.19 -0.39 0.22 0.79 0.02 0.00 0.00 176.35 177.18 1kum n TRP 563 N 4.91 -3.90 0.00 0.29 7.02 -0.67 -3.74 117.44 121.35 1kum n TRP 563 Ca -0.04 -0.19 0.00 0.00 -1.02 0.00 0.00 57.50 56.24 1kum n TRP 563 Cb 0.43 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.15 1kum n TRP 563 CO 0.00 0.00 0.00 2.48 -2.02 0.00 0.00 177.69 178.15 1kum n TYR 564 N -2.38 0.00 -3.76 -5.99 0.18 -0.69 -2.30 117.16 102.22 1kum n TYR 564 Ca 0.03 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.67 1kum n TYR 564 Cb 0.10 0.00 -0.14 0.00 -0.38 0.00 0.00 39.34 38.91 1kum n TYR 564 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 1kum s VAL 565 N -1.87 -0.04 -1.22 -3.48 1.01 -1.03 -3.37 120.40 110.40 1kum s VAL 565 Ca 0.00 0.15 -0.12 0.00 0.00 0.00 0.00 61.98 62.02 1kum s VAL 565 Cb 0.00 -0.21 0.18 0.00 0.00 0.00 0.00 36.38 36.35 1kum s VAL 565 CO 0.00 0.06 1.53 1.07 0.00 0.00 0.00 175.10 177.76 1kum n THR 566 N 4.01 4.34 -2.53 3.92 5.66 -1.24 -0.69 114.28 127.76 1kum n THR 566 Ca -0.24 -4.74 -0.43 0.00 -3.05 0.00 0.00 64.05 55.59 1kum n THR 566 Cb 0.53 -2.43 -0.02 0.00 -1.55 0.00 0.00 70.33 66.85 1kum n THR 566 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1kum s VAL 567 N 0.87 4.45 0.97 1.08 1.01 -0.26 -4.41 120.40 124.11 1kum s VAL 567 Ca 0.41 1.74 -0.13 0.00 0.00 0.00 0.00 61.98 64.00 1kum s VAL 567 Cb 0.00 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.30 1kum s VAL 567 CO 0.00 -0.18 0.44 0.35 0.00 0.00 0.00 175.10 175.71 1kum n THR 568 N 5.40 0.00 -3.31 3.92 -2.24 -1.26 -2.58 114.28 114.21 1kum n THR 568 Ca 0.13 -0.19 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1kum n THR 568 Cb 0.45 -0.66 -0.06 0.00 -2.10 0.00 0.00 70.33 67.96 1kum n THR 568 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kum s LEU 569 N -1.78 -0.61 0.28 3.22 1.43 -0.67 -4.82 118.68 115.74 1kum s LEU 569 Ca 0.58 -1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 52.38 1kum s LEU 569 Cb -0.20 1.04 -0.10 0.00 0.03 0.00 0.00 46.19 46.96 1kum s LEU 569 CO 0.66 -0.27 1.14 -2.16 0.23 0.00 0.00 176.35 175.95 1kum s PRO 570 N 1.90 4.58 -0.03 1.29 0.04 -1.26 -1.06 135.00 140.45 1kum s PRO 570 Ca 0.14 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 63.05 1kum s PRO 570 Cb -0.12 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.26 1kum s PRO 570 CO -0.13 0.13 0.03 0.00 0.04 0.00 0.00 177.00 177.07 1kum n ALA 571 N 1.18 -3.11 -0.52 8.56 0.00 0.39 -4.80 120.51 122.22 1kum n ALA 571 Ca -0.01 0.32 -0.17 0.00 0.00 0.00 0.00 53.44 53.58 1kum n ALA 571 Cb 0.44 -0.62 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 1kum n ALA 571 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kum n GLY 572 N 0.23 -1.14 0.00 0.00 0.00 0.23 -4.82 105.19 99.69 1kum n GLY 572 Ca -0.05 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1kum n GLY 572 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1kum n GLU 573 N 0.55 0.00 -1.05 1.61 4.07 -1.10 -4.77 120.64 119.95 1kum n GLU 573 Ca 0.04 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 56.99 1kum n GLU 573 Cb 0.17 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.46 1kum n GLU 573 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1kum n SER 574 N 0.00 5.75 -3.04 4.31 2.88 -1.13 -0.95 113.62 121.45 1kum n SER 574 Ca 0.00 -2.74 -0.27 0.00 -1.33 0.00 0.00 58.87 54.52 1kum n SER 574 Cb 0.00 -1.28 0.03 0.00 -0.75 0.00 0.00 64.21 62.21 1kum n SER 574 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1kum n PHE 575 N 1.63 -3.96 -3.87 0.66 3.72 0.20 -3.99 117.46 111.85 1kum n PHE 575 Ca 0.37 -0.03 -0.30 0.00 -0.05 0.00 0.00 57.45 57.44 1kum n PHE 575 Cb 0.71 -1.08 -0.15 0.00 -0.94 0.00 0.00 39.48 38.01 1kum n PHE 575 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1kum s GLU 576 N -1.52 1.24 0.19 -1.08 2.02 -1.26 -0.10 118.70 118.18 1kum s GLU 576 Ca 0.30 -1.10 0.11 0.00 0.02 0.00 0.00 54.97 54.30 1kum s GLU 576 Cb -0.13 -2.47 -0.04 0.00 0.10 0.00 0.00 34.13 31.58 1kum s GLU 576 CO 0.63 -0.77 -0.23 0.71 0.02 0.00 0.00 175.26 175.61 1kum s TYR 577 N 1.42 2.24 0.19 1.61 2.02 0.60 -0.79 117.35 124.65 1kum s TYR 577 Ca 0.02 -0.37 -0.04 0.00 -0.37 0.00 0.00 57.07 56.31 1kum s TYR 577 Cb -0.18 -1.12 -0.03 0.00 -0.40 0.00 0.00 41.96 40.23 1kum s TYR 577 CO -0.12 0.47 0.19 0.15 -1.57 0.00 0.00 175.55 174.67 1kum s LYS 578 N -2.64 1.21 0.58 -0.62 -0.14 -1.16 -0.76 119.74 116.21 1kum s LYS 578 Ca 0.20 -1.50 -0.00 0.00 -1.36 0.00 0.00 55.97 53.30 1kum s LYS 578 Cb -0.08 0.31 0.04 0.00 -1.68 0.00 0.00 37.83 36.42 1kum s LYS 578 CO 0.09 -0.42 0.82 -0.59 -0.76 0.00 0.00 175.35 174.50 1kum s PHE 579 N -4.11 2.88 -0.06 3.18 -0.12 -1.26 -2.97 117.98 115.52 1kum s PHE 579 Ca 0.32 0.09 -0.08 0.00 -0.05 0.00 0.00 56.93 57.22 1kum s PHE 579 Cb 0.06 -2.84 0.02 0.00 -0.63 0.00 0.00 43.02 39.62 1kum s PHE 579 CO 0.09 -0.98 0.21 0.96 -0.05 0.00 0.00 175.22 175.45 1kum s ILE 580 N -2.86 0.02 -0.74 -4.49 -4.36 -1.15 -1.71 121.20 105.92 1kum s ILE 580 Ca 0.58 -0.17 -0.21 0.00 -0.26 0.00 0.00 60.65 60.59 1kum s ILE 580 Cb -0.10 -0.36 0.09 0.00 1.25 0.00 0.00 42.46 43.34 1kum s ILE 580 CO 0.40 -0.09 0.99 -0.60 0.24 0.00 0.00 174.94 175.87 1kum s ARG 581 N -0.28 3.25 -0.27 0.37 3.52 0.29 -2.53 118.95 123.30 1kum s ARG 581 Ca -0.04 -1.17 -0.12 0.00 -0.13 0.00 0.00 55.73 54.27 1kum s ARG 581 Cb -0.03 -4.45 -0.05 0.00 -1.56 0.00 0.00 34.95 28.86 1kum s ARG 581 CO 0.01 -1.77 0.22 0.42 -0.81 0.00 0.00 175.30 173.37 1kum s ILE 582 N 3.49 5.29 0.00 4.11 1.09 -0.87 -0.95 121.20 133.36 1kum s ILE 582 Ca 0.24 0.26 0.00 0.00 -1.10 0.00 0.00 60.65 60.06 1kum s ILE 582 Cb -0.14 -3.56 0.00 0.00 -1.06 0.00 0.00 42.46 37.70 1kum s ILE 582 CO 0.04 0.25 0.00 -0.62 -0.10 0.00 0.00 174.94 174.51 1kum n GLU 583 N 4.94 -0.66 0.00 2.79 1.02 0.06 -2.20 120.64 126.59 1kum n GLU 583 Ca -0.13 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.02 1kum n GLU 583 Cb 0.52 0.00 0.06 0.00 -0.02 0.00 0.00 31.44 32.00 1kum n GLU 583 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1kum n SER 584 N -2.85 0.00 -1.05 1.62 7.64 -1.26 -4.59 113.62 113.13 1kum n SER 584 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1kum n SER 584 Cb 0.00 -0.19 0.00 0.00 -1.01 0.00 0.00 64.21 63.01 1kum n SER 584 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1kum n ASP 585 N -1.19 0.96 -0.11 6.43 5.75 -1.26 -5.01 116.55 122.11 1kum n ASP 585 Ca 0.01 -0.71 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 1kum n ASP 585 Cb 0.02 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.11 1kum n ASP 585 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1kum n ASP 586 N -1.45 0.26 -4.73 -1.12 5.75 -1.26 -4.80 116.55 109.20 1kum n ASP 586 Ca 0.00 -2.00 -0.41 0.00 -0.01 0.00 0.00 54.79 52.36 1kum n ASP 586 Cb 0.00 -0.09 -0.04 0.00 -1.03 0.00 0.00 41.12 39.96 1kum n ASP 586 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1kum s SER 587 N -0.85 7.37 0.29 -1.12 0.01 -1.26 -4.75 113.70 113.40 1kum s SER 587 Ca 0.01 1.86 -0.09 0.00 1.31 0.00 0.00 55.95 59.05 1kum s SER 587 Cb 0.01 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.69 1kum s SER 587 CO 0.01 -0.18 0.55 1.33 0.41 0.00 0.00 173.24 175.35 1kum n VAL 588 N 3.03 0.00 -4.65 3.43 0.24 -1.22 -0.76 118.33 118.40 1kum n VAL 588 Ca 0.04 -0.91 -0.29 0.00 -2.04 0.00 0.00 64.34 61.14 1kum n VAL 588 Cb 0.48 0.78 -0.10 0.00 -1.47 0.00 0.00 33.84 33.54 1kum n VAL 588 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1kum s GLU 589 N -2.21 2.02 0.26 7.34 2.02 -0.13 -4.77 118.70 123.23 1kum s GLU 589 Ca 0.15 -2.20 -0.01 0.00 0.02 0.00 0.00 54.97 52.93 1kum s GLU 589 Cb -0.03 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.73 1kum s GLU 589 CO 0.11 -0.20 0.34 0.91 0.02 0.00 0.00 175.26 176.44 1kum n TRP 590 N -1.05 -1.12 -1.24 1.61 7.02 -1.26 -0.55 117.44 120.85 1kum n TRP 590 Ca -0.10 -1.75 -0.45 0.00 -1.02 0.00 0.00 57.50 54.18 1kum n TRP 590 Cb 0.67 0.39 -0.04 0.00 -2.42 0.00 0.00 31.31 29.91 1kum n TRP 590 CO 0.00 0.00 0.00 -0.85 -2.02 0.00 0.00 177.69 174.82 1kum n GLU 591 N -0.43 0.00 0.00 -0.99 0.28 -0.69 -4.88 120.64 113.93 1kum n GLU 591 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.01 1kum n GLU 591 Cb 0.43 -1.00 0.00 0.00 1.43 0.00 0.00 31.44 32.30 1kum n GLU 591 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1kum n SER 592 N 1.59 0.00 -0.10 -1.84 2.88 -1.26 -4.92 113.62 109.97 1kum n SER 592 Ca 0.16 0.00 -0.17 0.00 -1.33 0.00 0.00 58.87 57.53 1kum n SER 592 Cb 0.17 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.55 1kum n SER 592 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1kum n ASP 593 N 0.00 1.86 -4.56 -3.46 8.00 -1.26 -4.67 116.55 112.46 1kum n ASP 593 Ca 0.00 0.47 -0.32 0.00 0.71 0.00 0.00 54.79 55.64 1kum n ASP 593 Cb 0.00 -0.91 -0.04 0.00 -0.02 0.00 0.00 41.12 40.15 1kum n ASP 593 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1kum s PRO 594 N -2.38 2.92 0.00 -0.24 0.04 -1.26 -4.96 135.00 129.11 1kum s PRO 594 Ca -0.26 -0.53 0.00 0.00 0.04 0.00 0.00 61.00 60.25 1kum s PRO 594 Cb 0.06 -5.12 0.00 0.00 0.04 0.00 0.00 34.50 29.48 1kum s PRO 594 CO 0.47 -2.94 0.00 0.09 0.04 0.00 0.00 177.00 174.66 1kum n ASN 595 N 12.14 -0.74 -4.69 6.66 4.13 -1.26 -5.06 115.26 126.44 1kum n ASN 595 Ca 0.36 -0.17 -0.26 0.00 1.68 0.00 0.00 54.58 56.19 1kum n ASN 595 Cb 0.49 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.64 1kum n ASN 595 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1kum s ARG 596 N -1.62 2.12 0.07 3.52 1.81 0.06 -4.97 118.95 119.94 1kum s ARG 596 Ca 0.00 -1.95 -0.07 0.00 -1.72 0.00 0.00 55.73 51.99 1kum s ARG 596 Cb 0.00 -1.85 -0.01 0.00 -0.45 0.00 0.00 34.95 32.64 1kum s ARG 596 CO 0.00 -0.09 0.15 -1.83 -0.68 0.00 0.00 175.30 172.85 1kum s GLU 597 N -3.83 0.77 -0.02 3.54 -1.05 -1.26 -0.29 118.70 116.57 1kum s GLU 597 Ca 0.39 -0.94 -0.07 0.00 -0.15 0.00 0.00 54.97 54.20 1kum s GLU 597 Cb 0.06 0.31 0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1kum s GLU 597 CO 0.21 -0.23 0.15 -0.47 0.95 0.00 0.00 175.26 175.87 1kum s TYR 598 N -3.61 -0.03 -0.37 4.83 5.04 0.86 -4.90 117.35 119.17 1kum s TYR 598 Ca 0.03 0.05 -0.05 0.00 -2.44 0.00 0.00 57.07 54.66 1kum s TYR 598 Cb 0.04 -0.01 0.08 0.00 0.35 0.00 0.00 41.96 42.41 1kum s TYR 598 CO -0.09 -0.22 0.16 0.95 -1.34 0.00 0.00 175.55 175.00 1kum s THR 599 N -0.92 3.56 -0.19 4.34 -4.23 -1.18 0.58 115.64 117.60 1kum s THR 599 Ca -0.10 -1.57 -0.29 0.00 -1.18 0.00 0.00 61.69 58.55 1kum s THR 599 Cb -0.06 -3.21 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 1kum s THR 599 CO 0.01 -0.42 1.61 -0.69 -0.54 0.00 0.00 174.62 174.59 1kum s VAL 600 N 1.29 3.70 0.95 2.29 1.01 -0.12 -4.73 120.40 124.78 1kum s VAL 600 Ca 0.02 0.80 -0.15 0.00 0.00 0.00 0.00 61.98 62.66 1kum s VAL 600 Cb -0.22 -3.68 0.17 0.00 0.00 0.00 0.00 36.38 32.66 1kum s VAL 600 CO -0.01 -0.25 1.22 -2.16 0.00 0.00 0.00 175.10 173.91 1kum s PRO 601 N 4.53 0.82 -0.76 2.72 0.04 -1.26 -2.71 135.00 138.38 1kum s PRO 601 Ca 0.71 -0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.70 1kum s PRO 601 Cb -0.26 -1.84 0.33 0.00 0.04 0.00 0.00 34.50 32.77 1kum s PRO 601 CO 0.29 -2.34 1.28 1.04 0.04 0.00 0.00 177.00 177.30 1kum n GLN 602 N -3.79 4.07 -4.16 4.56 6.02 -1.26 -4.62 117.38 118.20 1kum n GLN 602 Ca 0.11 -4.78 -0.34 0.00 -0.01 0.00 0.00 57.00 51.98 1kum n GLN 602 Cb 0.60 -2.33 -0.10 0.00 1.02 0.00 0.00 30.24 29.42 1kum n GLN 602 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1kum s ALA 603 N -3.73 3.31 -0.14 -1.58 0.00 -1.25 -5.00 121.76 113.36 1kum s ALA 603 Ca 0.44 -0.77 -0.17 0.00 0.00 0.00 0.00 51.96 51.46 1kum s ALA 603 Cb 0.23 -1.76 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1kum s ALA 603 CO -0.12 0.27 0.45 0.00 0.00 0.00 0.00 175.76 176.36 1kum n GLY 605 N 3.43 2.22 3.06 0.00 0.00 -1.26 -4.88 105.19 107.76 1kum n GLY 605 Ca -0.08 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1kum n GLY 605 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1kum n THR 606 N 0.00 3.97 -1.70 2.61 5.66 -1.26 -4.84 114.28 118.73 1kum n THR 606 Ca 0.00 -3.96 -0.40 0.00 -3.05 0.00 0.00 64.05 56.64 1kum n THR 606 Cb 0.00 -2.45 -0.01 0.00 -1.55 0.00 0.00 70.33 66.31 1kum n THR 606 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1kum n SER 607 N 5.74 7.95 -4.62 1.09 7.64 -1.26 -4.81 113.62 125.35 1kum n SER 607 Ca 0.45 -2.87 -0.24 0.00 1.01 0.00 0.00 58.87 57.22 1kum n SER 607 Cb 0.40 -1.47 -0.08 0.00 -1.01 0.00 0.00 64.21 62.05 1kum n SER 607 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1kum s THR 608 N 0.65 3.35 0.30 0.44 -4.23 -1.26 -1.48 115.64 113.41 1kum s THR 608 Ca 0.60 -1.92 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 1kum s THR 608 Cb 0.17 -2.77 0.01 0.00 1.34 0.00 0.00 72.50 71.25 1kum s THR 608 CO -0.07 -0.34 0.56 0.00 -0.54 0.00 0.00 174.62 174.23 1kum s ALA 609 N -2.26 -0.18 -0.00 3.99 0.00 0.59 -4.57 121.76 119.32 1kum s ALA 609 Ca 0.31 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 1kum s ALA 609 Cb -0.07 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 24.04 1kum s ALA 609 CO 0.19 -0.88 0.03 0.99 0.00 0.00 0.00 175.76 176.08 1kum s THR 610 N -3.42 0.04 -0.28 0.00 2.01 -1.26 -3.12 115.64 109.62 1kum s THR 610 Ca 0.22 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.89 1kum s THR 610 Cb -0.02 -0.16 0.16 0.00 0.01 0.00 0.00 72.50 72.49 1kum s THR 610 CO 0.12 -0.19 0.45 -0.69 -0.69 0.00 0.00 174.62 173.62 1kum s VAL 611 N -0.57 -0.72 -0.84 3.82 1.01 -0.73 -4.85 120.40 117.53 1kum s VAL 611 Ca -0.06 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.48 1kum s VAL 611 Cb -0.04 -0.96 0.03 0.00 0.00 0.00 0.00 36.38 35.42 1kum s VAL 611 CO -0.00 -0.19 1.37 -0.89 0.00 0.00 0.00 175.10 175.39 1kum s THR 612 N 2.61 3.78 -0.08 3.92 2.01 -1.26 -1.02 115.64 125.60 1kum s THR 612 Ca 0.11 -0.04 -0.22 0.00 0.31 0.00 0.00 61.69 61.85 1kum s THR 612 Cb -0.13 -4.93 -0.04 0.00 0.01 0.00 0.00 72.50 67.41 1kum s THR 612 CO -0.26 -1.85 0.65 -1.81 -0.69 0.00 0.00 174.62 170.66 1kum s ASP 613 N 4.39 6.91 -0.12 3.53 1.11 0.41 -4.85 116.67 128.05 1kum s ASP 613 Ca 0.40 1.10 -0.05 0.00 0.18 0.00 0.00 52.55 54.18 1kum s ASP 613 Cb -0.05 -2.38 -0.04 0.00 1.07 0.00 0.00 42.92 41.52 1kum s ASP 613 CO 0.06 -0.09 0.07 -0.89 1.18 0.00 0.00 175.17 175.50 1kum s THR 614 N 0.79 4.92 -0.02 -1.27 2.01 -1.26 -2.03 115.64 118.78 1kum s THR 614 Ca 0.35 -0.01 0.02 0.00 0.31 0.00 0.00 61.69 62.36 1kum s THR 614 Cb -0.17 -3.13 -0.03 0.00 0.01 0.00 0.00 72.50 69.18 1kum s THR 614 CO 0.16 0.59 0.01 1.87 -0.69 0.00 0.00 174.62 176.56 1kum n TRP 615 N 2.30 0.00 1.30 4.92 -0.00 -1.21 -4.83 117.44 119.92 1kum n TRP 615 Ca -0.19 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.42 1kum n TRP 615 Cb 0.54 -0.10 0.62 0.00 -0.00 0.00 0.00 31.31 32.37 1kum n TRP 615 CO 0.00 0.00 0.00 -2.13 -0.00 0.00 0.00 177.69 175.56