#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc6 n GLY 541 N 0.00 0.42 0.36 8.20 0.00 -1.26 -4.90 105.19 108.01 3kc6 n GLY 541 Ca 0.00 -2.24 -0.05 0.00 0.00 0.00 0.00 46.02 43.73 3kc6 n GLY 541 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3kc6 h PRO 542 N 0.00 -0.14 -0.64 1.61 0.11 -2.00 -2.35 132.00 128.60 3kc6 h PRO 542 Ca 0.00 0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.16 3kc6 h PRO 542 Cb 0.00 0.03 -0.05 0.00 0.11 0.00 0.00 31.00 31.09 3kc6 h PRO 542 CO 0.00 -0.09 0.37 1.49 -0.21 0.00 0.00 178.00 179.56 3kc6 h GLU 543 N -0.15 0.68 -0.63 1.05 4.81 -1.91 0.12 114.58 118.56 3kc6 h GLU 543 Ca 0.24 -0.04 -0.06 0.00 -0.13 0.00 0.00 59.36 59.37 3kc6 h GLU 543 Cb 0.56 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3kc6 h GLU 543 CO -0.74 0.45 0.16 1.03 -0.73 0.00 0.00 179.01 179.18 3kc6 h SER 544 N 0.70 0.92 -0.49 1.04 0.87 -1.79 -1.53 113.55 113.27 3kc6 h SER 544 Ca 0.27 -0.18 -0.06 0.00 -1.23 0.00 0.00 61.79 60.59 3kc6 h SER 544 Cb 0.11 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 3kc6 h SER 544 CO -0.14 0.89 0.06 0.58 -0.53 0.00 0.00 176.83 177.68 3kc6 h VAL 545 N 0.94 1.25 0.25 2.23 2.07 -0.78 -0.93 116.25 121.29 3kc6 h VAL 545 Ca 0.20 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.74 3kc6 h VAL 545 Cb 0.33 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 3kc6 h VAL 545 CO -0.00 0.34 -0.15 -0.07 0.02 0.00 0.00 177.57 177.71 3kc6 h LEU 546 N 0.70 -0.36 -0.19 2.57 3.38 -0.76 -1.18 115.31 119.47 3kc6 h LEU 546 Ca 0.15 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.13 3kc6 h LEU 546 Cb 0.43 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 3kc6 h LEU 546 CO 0.01 -0.24 0.08 0.58 0.09 0.00 0.00 178.44 178.96 3kc6 h VAL 547 N -0.38 1.15 -0.12 1.22 2.07 -1.25 -2.77 116.25 116.18 3kc6 h VAL 547 Ca -0.03 -0.46 -0.04 0.00 0.82 0.00 0.00 66.70 66.99 3kc6 h VAL 547 Cb 0.31 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 3kc6 h VAL 547 CO 0.03 0.15 -0.12 0.78 0.02 0.00 0.00 177.57 178.43 3kc6 h ASN 548 N 0.16 0.17 0.10 0.57 2.35 -1.14 -0.16 115.58 117.63 3kc6 h ASN 548 Ca 0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 3kc6 h ASN 548 Cb 0.16 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kc6 h ASN 548 CO -0.01 0.31 -0.05 0.74 -1.65 0.00 0.00 177.43 176.78 3kc6 h THR 549 N 0.18 1.07 -0.28 2.81 2.02 -1.01 -0.34 112.91 117.36 3kc6 h THR 549 Ca 0.04 -0.68 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 3kc6 h THR 549 Cb 0.32 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3kc6 h THR 549 CO 0.02 0.17 -0.23 1.88 0.37 0.00 0.00 175.52 177.73 3kc6 h TYR 550 N -0.46 0.59 -0.72 3.16 0.05 -1.35 -1.91 116.97 116.33 3kc6 h TYR 550 Ca -0.01 -0.12 0.05 0.00 0.05 0.00 0.00 58.73 58.70 3kc6 h TYR 550 Cb 0.38 -0.15 -0.05 0.00 1.01 0.00 0.00 36.73 37.92 3kc6 h TYR 550 CO 0.03 0.71 0.43 1.96 -1.05 0.00 0.00 178.16 180.24 3kc6 h GLN 551 N 0.47 0.78 -0.41 4.88 4.20 -0.93 -1.48 115.11 122.62 3kc6 h GLN 551 Ca 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 3kc6 h GLN 551 Cb 0.65 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 3kc6 h GLN 551 CO 0.05 0.52 0.14 2.35 -0.67 0.00 0.00 178.83 181.21 3kc6 h TRP 552 N 0.80 0.65 -0.55 2.96 7.01 -0.42 -0.19 115.95 126.22 3kc6 h TRP 552 Ca 0.31 -0.06 -0.01 0.00 2.11 0.00 0.00 58.89 61.24 3kc6 h TRP 552 Cb 0.14 -0.19 -0.03 0.00 -2.10 0.00 0.00 29.16 26.98 3kc6 h TRP 552 CO -0.06 0.60 0.31 0.82 -2.79 0.00 0.00 178.44 177.32 3kc6 h ILE 553 N 0.52 1.18 -0.29 2.65 2.04 -1.02 -0.95 117.51 121.64 3kc6 h ILE 553 Ca 0.13 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.50 3kc6 h ILE 553 Cb 0.24 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.78 3kc6 h ILE 553 CO -0.01 0.19 -0.04 0.40 0.00 0.00 0.00 178.15 178.69 3kc6 h ILE 554 N 0.74 1.27 -0.83 -0.67 2.04 -1.09 0.20 117.51 119.18 3kc6 h ILE 554 Ca 0.20 -1.04 0.10 0.00 1.00 0.00 0.00 64.86 65.11 3kc6 h ILE 554 Cb 0.03 1.37 -0.08 0.00 -0.74 0.00 0.00 36.82 37.40 3kc6 h ILE 554 CO -0.03 0.33 0.47 0.03 0.00 0.00 0.00 178.15 178.95 3kc6 h ARG 555 N 0.31 0.76 -0.69 2.37 3.08 -0.71 -2.38 114.38 117.11 3kc6 h ARG 555 Ca 0.08 -0.05 -0.31 0.00 0.07 0.00 0.00 59.98 59.77 3kc6 h ARG 555 Cb 0.51 -0.17 -0.18 0.00 0.08 0.00 0.00 29.97 30.21 3kc6 h ARG 555 CO 0.02 0.50 0.30 0.09 -1.07 0.00 0.00 179.97 179.81 3kc6 n ASN 556 N -4.75 3.66 -0.26 7.04 3.02 -0.39 -4.77 115.26 118.80 3kc6 n ASN 556 Ca 0.14 -3.52 0.02 0.00 -0.03 0.00 0.00 54.58 51.19 3kc6 n ASN 556 Cb 0.29 -0.73 0.15 0.00 -0.61 0.00 0.00 39.78 38.88 3kc6 n ASN 556 CO 0.00 0.00 0.00 -0.25 -2.62 0.00 0.00 177.26 174.39 3kc6 h TRP 557 N 1.48 0.74 -0.72 3.10 -0.00 -0.40 -1.71 115.95 118.43 3kc6 h TRP 557 Ca 0.38 0.03 -0.02 0.00 -0.00 0.00 0.00 58.89 59.28 3kc6 h TRP 557 Cb 2.28 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 31.19 3kc6 h TRP 557 CO 1.27 0.29 0.39 0.93 -0.00 0.00 0.00 178.44 181.32 3kc6 h GLU 558 N 0.69 1.00 0.12 2.65 4.39 -1.86 0.30 114.58 121.88 3kc6 h GLU 558 Ca 0.37 -0.11 -0.28 0.00 0.34 0.00 0.00 59.36 59.68 3kc6 h GLU 558 Cb 0.35 -0.20 0.00 0.00 -0.10 0.00 0.00 28.75 28.80 3kc6 h GLU 558 CO -0.25 0.74 -1.29 0.00 -1.16 0.00 0.00 179.01 177.05 3kc6 h THR 559 N 1.01 1.44 -0.41 1.13 1.03 -1.86 -2.82 112.91 112.43 3kc6 h THR 559 Ca 0.25 -3.03 0.03 0.00 -0.01 0.00 0.00 66.41 63.66 3kc6 h THR 559 Cb 0.04 2.91 -0.03 0.00 -1.07 0.00 0.00 68.15 69.99 3kc6 h THR 559 CO -0.04 0.88 0.20 0.58 -0.01 0.00 0.00 175.52 177.13 3kc6 h VAL 560 N 0.07 0.97 -0.57 0.00 2.07 -0.84 -0.69 116.25 117.26 3kc6 h VAL 560 Ca -0.15 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.25 3kc6 h VAL 560 Cb 1.97 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 32.23 3kc6 h VAL 560 CO 0.19 0.08 0.35 0.50 0.02 0.00 0.00 177.57 178.71 3kc6 h LYS 561 N 0.41 0.68 0.27 1.57 3.64 -0.44 0.33 116.57 123.04 3kc6 h LYS 561 Ca 0.17 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 3kc6 h LYS 561 Cb 0.08 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.75 3kc6 h LYS 561 CO -0.12 0.45 -0.13 0.82 -2.27 0.00 0.00 179.45 178.20 3kc6 h ILE 562 N 0.70 0.74 -0.68 2.00 2.04 -1.22 -2.35 117.51 118.74 3kc6 h ILE 562 Ca 0.23 -0.04 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3kc6 h ILE 562 Cb -0.00 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 3kc6 h ILE 562 CO -0.09 0.01 0.29 1.56 0.00 0.00 0.00 178.15 179.92 3kc6 h GLN 563 N -0.39 1.01 -0.84 2.37 4.20 -0.88 0.19 115.11 120.76 3kc6 h GLN 563 Ca -0.04 -0.17 0.14 0.00 0.06 0.00 0.00 58.65 58.64 3kc6 h GLN 563 Cb 0.30 -0.17 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 3kc6 h GLN 563 CO 0.06 0.82 0.55 2.35 -0.67 0.00 0.00 178.83 181.94 3kc6 h TRP 564 N 0.96 0.70 0.14 2.96 7.01 -0.26 0.41 115.95 127.88 3kc6 h TRP 564 Ca 0.23 0.02 -0.35 0.00 2.11 0.00 0.00 58.89 60.90 3kc6 h TRP 564 Cb 0.18 -0.22 -0.01 0.00 -2.10 0.00 0.00 29.16 27.01 3kc6 h TRP 564 CO 0.01 0.26 -1.88 1.03 -2.79 0.00 0.00 178.44 175.08 3kc6 h SER 565 N 0.60 0.48 0.10 2.65 0.87 -0.88 -3.38 113.55 113.98 3kc6 h SER 565 Ca 0.42 -0.94 -0.36 0.00 -1.23 0.00 0.00 61.79 59.68 3kc6 h SER 565 Cb 0.75 -0.16 -0.06 0.00 -0.44 0.00 0.00 62.40 62.49 3kc6 h SER 565 CO -0.17 1.82 -2.26 0.00 -0.53 0.00 0.00 176.83 175.69 3kc6 n GLN 566 N -3.56 0.68 -2.97 2.24 1.13 0.61 -4.76 117.38 110.74 3kc6 n GLN 566 Ca -0.29 0.07 -0.15 0.00 -1.94 0.00 0.00 57.00 54.69 3kc6 n GLN 566 Cb 1.04 -1.58 0.00 0.00 0.11 0.00 0.00 30.24 29.82 3kc6 n GLN 566 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3kc6 n ASP 567 N -2.88 -1.07 -0.17 1.08 -0.08 0.14 -5.01 116.55 108.55 3kc6 n ASP 567 Ca -0.31 -3.14 0.02 0.00 -1.51 0.00 0.00 54.79 49.85 3kc6 n ASP 567 Cb 1.12 0.59 0.29 0.00 2.34 0.00 0.00 41.12 45.45 3kc6 n ASP 567 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 3kc6 h PRO 568 N 3.59 0.89 -0.77 -0.67 0.13 -1.55 -2.23 132.00 131.38 3kc6 h PRO 568 Ca -0.02 -0.05 0.10 0.00 -0.87 0.00 0.00 66.00 65.16 3kc6 h PRO 568 Cb 0.99 -0.20 -0.08 0.00 0.13 0.00 0.00 31.00 31.84 3kc6 h PRO 568 CO 0.37 0.59 0.41 1.15 -0.23 0.00 0.00 178.00 180.28 3kc6 h THR 569 N 0.91 0.85 -0.10 1.56 2.02 -1.94 0.20 112.91 116.42 3kc6 h THR 569 Ca 0.26 -0.23 -0.17 0.00 0.77 0.00 0.00 66.41 67.04 3kc6 h THR 569 Cb -0.08 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 66.44 3kc6 h THR 569 CO -0.06 0.12 -0.66 0.00 0.37 0.00 0.00 175.52 175.30 3kc6 h MET 570 N 0.68 0.39 -0.23 6.66 -0.00 -1.78 -1.89 114.93 118.76 3kc6 h MET 570 Ca 0.38 -0.29 -0.01 0.00 -0.00 0.00 0.00 59.70 59.79 3kc6 h MET 570 Cb 0.41 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 32.05 3kc6 h MET 570 CO -0.27 0.91 0.12 1.25 -0.00 0.00 0.00 176.91 178.92 3kc6 h LEU 571 N 0.28 0.29 -1.90 -0.10 5.85 -1.04 -2.75 115.31 115.94 3kc6 h LEU 571 Ca -0.02 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.58 3kc6 h LEU 571 Cb 1.21 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.16 3kc6 h LEU 571 CO 0.11 0.31 -0.13 1.88 -0.34 0.00 0.00 178.44 180.27 3kc6 h TYR 572 N 0.25 0.00 -0.11 1.25 0.05 -0.35 -2.50 116.97 115.56 3kc6 h TYR 572 Ca 0.08 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.86 3kc6 h TYR 572 Cb 0.08 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.82 3kc6 h TYR 572 CO -0.03 0.13 0.00 0.09 -1.05 0.00 0.00 178.16 177.29 3kc6 n ASN 573 N -3.85 1.49 -4.78 3.88 3.02 -0.74 -4.33 115.26 109.96 3kc6 n ASN 573 Ca -0.02 -1.61 -0.41 0.00 -0.03 0.00 0.00 54.58 52.51 3kc6 n ASN 573 Cb 0.22 -0.07 -0.01 0.00 -0.61 0.00 0.00 39.78 39.32 3kc6 n ASN 573 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3kc6 s LYS 574 N -1.87 4.16 0.53 3.52 1.02 -0.95 -4.90 119.74 121.26 3kc6 s LYS 574 Ca 0.34 2.50 0.20 0.00 0.02 0.00 0.00 55.97 59.04 3kc6 s LYS 574 Cb 0.18 -2.99 1.40 0.00 -0.52 0.00 0.00 37.83 35.91 3kc6 s LYS 574 CO 0.29 -0.47 2.16 0.00 -0.92 0.00 0.00 175.35 176.41 3kc6 h MET 575 N 3.08 0.00 0.00 1.68 -0.00 -1.92 -2.88 114.93 114.88 3kc6 h MET 575 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.20 3kc6 h MET 575 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.84 3kc6 h MET 575 CO 0.64 0.02 0.07 0.93 -0.00 0.00 0.00 176.91 178.58 3kc6 h GLU 576 N 0.00 0.00 -0.01 -0.10 3.07 -1.97 -1.63 114.58 113.94 3kc6 h GLU 576 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3kc6 h GLU 576 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3kc6 h GLU 576 CO 0.00 0.00 -0.31 1.19 -1.40 0.00 0.00 179.01 178.49 3kc6 n PHE 577 N -2.68 0.00 -0.11 4.33 3.72 -1.09 -4.57 117.46 117.07 3kc6 n PHE 577 Ca -0.02 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.28 3kc6 n PHE 577 Cb 0.12 -0.05 -0.02 0.00 -0.94 0.00 0.00 39.48 38.59 3kc6 n PHE 577 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3kc6 h GLU 578 N 2.07 0.56 -0.63 -1.08 5.08 -1.48 -2.24 114.58 116.85 3kc6 h GLU 578 Ca 0.00 -0.15 0.04 0.00 -1.00 0.00 0.00 59.36 58.25 3kc6 h GLU 578 Cb 0.65 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.78 3kc6 h GLU 578 CO 0.00 0.64 0.37 -1.35 -1.00 0.00 0.00 179.01 177.67 3kc6 h PRO 579 N 0.39 0.69 -0.64 2.33 0.11 -1.80 -2.05 132.00 131.02 3kc6 h PRO 579 Ca 0.10 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 66.24 3kc6 h PRO 579 Cb 0.35 -0.16 -0.06 0.00 0.11 0.00 0.00 31.00 31.25 3kc6 h PRO 579 CO 0.01 0.46 0.33 0.35 -0.21 0.00 0.00 178.00 178.93 3kc6 h PHE 580 N 0.71 0.60 -0.40 0.65 3.57 -1.81 -2.49 116.94 117.77 3kc6 h PHE 580 Ca 0.27 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.84 3kc6 h PHE 580 Cb 0.09 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3kc6 h PHE 580 CO -0.07 0.26 0.27 1.96 -2.23 0.00 0.00 178.31 178.50 3kc6 h GLN 581 N 0.60 0.34 0.00 1.11 1.08 -0.77 -0.57 115.11 116.91 3kc6 h GLN 581 Ca 0.29 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.47 3kc6 h GLN 581 Cb 0.23 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.58 3kc6 h GLN 581 CO -0.21 0.23 -0.04 0.66 -0.95 0.00 0.00 178.83 178.51 3kc6 h SER 582 N 0.35 0.00 1.31 1.46 4.64 -1.06 -1.94 113.55 118.31 3kc6 h SER 582 Ca 0.17 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.41 3kc6 h SER 582 Cb 0.23 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 3kc6 h SER 582 CO -0.04 0.04 -0.37 -0.07 -0.87 0.00 0.00 176.83 175.53 3kc6 h LEU 583 N 0.00 0.00 -9.58 5.97 3.38 -1.11 -3.45 115.31 110.52 3kc6 h LEU 583 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.45 3kc6 h LEU 583 Cb 0.40 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3kc6 h LEU 583 CO 0.01 0.37 0.41 -0.69 0.09 0.00 0.00 178.44 178.63 3kc6 s VAL 584 N -3.24 4.30 0.15 1.22 1.01 -0.73 -0.27 120.40 122.83 3kc6 s VAL 584 Ca 0.03 1.89 -0.34 0.00 0.00 0.00 0.00 61.98 63.55 3kc6 s VAL 584 Cb 0.08 -4.20 -0.15 0.00 0.00 0.00 0.00 36.38 32.11 3kc6 s VAL 584 CO 0.70 0.28 1.46 -2.65 0.00 0.00 0.00 175.10 174.89 3kc6 n PRO 585 N 2.83 1.78 -0.28 2.72 -0.02 -1.26 -4.82 135.00 135.94 3kc6 n PRO 585 Ca 0.03 0.64 0.09 0.00 -2.02 0.00 0.00 63.50 62.24 3kc6 n PRO 585 Cb 0.48 -2.34 0.23 0.00 -0.02 0.00 0.00 33.50 31.85 3kc6 n PRO 585 CO 0.00 0.00 0.00 1.57 1.98 0.00 0.00 175.50 179.05 3kc6 h LYS 586 N 5.12 0.16 0.00 -0.52 -0.00 -1.92 0.12 116.57 119.53 3kc6 h LYS 586 Ca -0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 60.65 60.18 3kc6 h LYS 586 Cb 1.29 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.48 3kc6 h LYS 586 CO 0.83 0.11 0.00 0.00 -0.00 0.00 0.00 179.45 180.38 3kc6 n ALA 587 N -2.81 2.21 0.64 0.07 0.00 -1.26 -3.02 120.51 116.33 3kc6 n ALA 587 Ca 0.18 -0.10 0.10 0.00 0.00 0.00 0.00 53.44 53.62 3kc6 n ALA 587 Cb 0.59 -1.42 -0.13 0.00 0.00 0.00 0.00 19.45 18.49 3kc6 n ALA 587 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc6 n ALA 588 N -1.44 4.04 -0.20 0.00 0.00 0.38 -4.70 120.51 118.59 3kc6 n ALA 588 Ca 0.08 -0.56 -0.07 0.00 0.00 0.00 0.00 53.44 52.89 3kc6 n ALA 588 Cb 0.27 -0.77 0.03 0.00 0.00 0.00 0.00 19.45 18.98 3kc6 n ALA 588 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc6 h ARG 589 N 0.00 0.78 -0.19 0.00 3.08 -1.37 0.11 114.38 116.78 3kc6 h ARG 589 Ca 0.00 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.86 3kc6 h ARG 589 Cb 0.68 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.57 3kc6 h ARG 589 CO 0.00 0.58 -0.29 0.78 -1.07 0.00 0.00 179.97 179.97 3kc6 h GLY 590 N 0.76 0.59 0.73 0.04 0.00 -1.81 -1.72 103.07 101.65 3kc6 h GLY 590 Ca 0.20 -0.66 0.03 0.00 0.00 0.00 0.00 47.33 46.89 3kc6 h GLY 590 CO -0.03 0.60 -0.03 1.46 0.00 0.00 0.00 176.54 178.53 3kc6 h GLN 591 N 0.21 0.01 -0.66 4.80 1.08 -1.62 0.79 115.11 119.71 3kc6 h GLN 591 Ca 0.02 -0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.17 3kc6 h GLN 591 Cb 0.87 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.27 3kc6 h GLN 591 CO 0.07 0.01 0.21 1.88 -0.95 0.00 0.00 178.83 180.05 3kc6 h TYR 592 N 0.01 1.04 -0.05 2.96 0.05 -0.74 -1.86 116.97 118.38 3kc6 h TYR 592 Ca 0.07 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 58.75 3kc6 h TYR 592 Cb 0.10 -0.31 -0.00 0.00 1.01 0.00 0.00 36.73 37.53 3kc6 h TYR 592 CO -0.17 0.82 -0.00 1.03 -1.05 0.00 0.00 178.16 178.79 3kc6 h SER 593 N 0.98 0.08 -0.48 3.88 0.87 -1.05 -0.08 113.55 117.75 3kc6 h SER 593 Ca 0.22 -0.31 0.08 0.00 -1.23 0.00 0.00 61.79 60.54 3kc6 h SER 593 Cb 0.27 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.14 3kc6 h SER 593 CO -0.01 0.37 0.12 1.23 -0.53 0.00 0.00 176.83 178.02 3kc6 h GLY 594 N -0.21 0.61 0.88 5.77 0.00 -1.17 0.21 103.07 109.16 3kc6 h GLY 594 Ca 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 3kc6 h GLY 594 CO 0.00 -0.04 -0.37 -2.75 0.00 0.00 0.00 176.54 173.39 3kc6 h PHE 595 N 0.27 -0.97 -0.44 5.60 3.57 -1.24 -2.05 116.94 121.68 3kc6 h PHE 595 Ca 0.24 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.68 3kc6 h PHE 595 Cb 0.29 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 3kc6 h PHE 595 CO -0.20 -0.56 0.10 0.28 -2.23 0.00 0.00 178.31 175.70 3kc6 h VAL 596 N -0.94 1.24 -0.80 1.41 2.07 -0.79 -0.76 116.25 117.68 3kc6 h VAL 596 Ca -0.08 -0.83 0.08 0.00 0.82 0.00 0.00 66.70 66.69 3kc6 h VAL 596 Cb 0.75 0.93 -0.07 0.00 -1.52 0.00 0.00 31.29 31.38 3kc6 h VAL 596 CO 0.09 0.29 0.47 0.03 0.02 0.00 0.00 177.57 178.47 3kc6 h ARG 597 N 0.59 0.79 -0.45 1.57 3.08 -0.61 0.88 114.38 120.22 3kc6 h ARG 597 Ca 0.14 -0.05 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 3kc6 h ARG 597 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3kc6 h ARG 597 CO 0.00 0.52 0.06 1.15 -1.07 0.00 0.00 179.97 180.63 3kc6 h THR 598 N 0.81 1.25 -0.92 2.04 2.02 -1.07 -1.68 112.91 115.36 3kc6 h THR 598 Ca 0.37 -0.93 0.02 0.00 0.77 0.00 0.00 66.41 66.64 3kc6 h THR 598 Cb 0.29 0.97 -0.05 0.00 -1.74 0.00 0.00 68.15 67.62 3kc6 h THR 598 CO -0.22 0.32 0.61 -0.07 0.37 0.00 0.00 175.52 176.53 3kc6 h LEU 599 N 0.62 1.04 -0.65 2.58 3.38 -0.49 -0.75 115.31 121.04 3kc6 h LEU 599 Ca 0.14 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3kc6 h LEU 599 Cb 0.41 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3kc6 h LEU 599 CO 0.01 0.74 0.17 -0.26 0.09 0.00 0.00 178.44 179.19 3kc6 h PHE 600 N 1.22 1.09 -0.37 1.13 0.04 -0.68 -2.01 116.94 117.36 3kc6 h PHE 600 Ca 0.34 -0.13 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 3kc6 h PHE 600 Cb -0.11 -0.31 -0.02 0.00 2.20 0.00 0.00 35.95 37.72 3kc6 h PHE 600 CO -0.01 0.90 -0.13 0.37 -0.60 0.00 0.00 178.31 178.85 3kc6 h GLN 601 N 0.97 0.66 -0.80 1.51 5.75 -0.90 -0.66 115.11 121.64 3kc6 h GLN 601 Ca 0.21 -0.21 0.06 0.00 -0.15 0.00 0.00 58.65 58.56 3kc6 h GLN 601 Cb 0.35 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 28.78 3kc6 h GLN 601 CO 0.00 0.77 0.48 1.96 -2.65 0.00 0.00 178.83 179.38 3kc6 h GLN 602 N 0.60 0.84 -0.60 1.69 4.20 -0.79 0.53 115.11 121.57 3kc6 h GLN 602 Ca 0.10 -0.05 -0.09 0.00 0.06 0.00 0.00 58.65 58.67 3kc6 h GLN 602 Cb 0.56 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 3kc6 h GLN 602 CO 0.04 0.55 0.02 1.98 -0.67 0.00 0.00 178.83 180.75 3kc6 h MET 603 N 0.86 1.05 -0.78 1.46 4.05 -0.76 0.24 114.93 121.05 3kc6 h MET 603 Ca 0.35 -0.32 -0.03 0.00 -0.28 0.00 0.00 59.70 59.43 3kc6 h MET 603 Cb 0.20 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.86 3kc6 h MET 603 CO -0.18 1.02 0.39 0.00 0.23 0.00 0.00 176.91 178.36 3kc6 h ARG 604 N 0.95 1.11 0.00 0.39 3.08 -0.54 -3.29 114.38 116.08 3kc6 h ARG 604 Ca 0.17 -0.15 -0.07 0.00 0.07 0.00 0.00 59.98 60.00 3kc6 h ARG 604 Cb 0.53 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 3kc6 h ARG 604 CO 0.03 0.85 -0.62 -0.44 -1.07 0.00 0.00 179.97 178.72 3kc6 h ASP 605 N 1.11 0.00 -3.47 7.04 3.32 0.76 -3.42 116.42 121.76 3kc6 h ASP 605 Ca 0.27 0.00 -0.70 0.00 0.02 0.00 0.00 57.03 56.63 3kc6 h ASP 605 Cb 0.09 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 39.30 3kc6 h ASP 605 CO -0.04 0.30 -0.53 -0.69 -1.72 0.00 0.00 179.24 176.56 3kc6 s VAL 606 N -3.09 3.37 0.51 -1.35 1.01 0.79 -5.06 120.40 116.58 3kc6 s VAL 606 Ca 0.03 -2.03 -0.23 0.00 0.00 0.00 0.00 61.98 59.75 3kc6 s VAL 606 Cb 0.07 -3.30 -0.06 0.00 0.00 0.00 0.00 36.38 33.09 3kc6 s VAL 606 CO 0.74 -0.70 1.37 0.00 0.00 0.00 0.00 175.10 176.51 3kc6 n LEU 607 N 4.62 5.26 0.00 3.92 -0.00 -1.26 -3.19 117.00 126.35 3kc6 n LEU 607 Ca -0.03 1.03 0.00 0.00 -0.00 0.00 0.00 56.01 57.01 3kc6 n LEU 607 Cb 0.41 -1.58 0.00 0.00 -0.00 0.00 0.00 43.42 42.26 3kc6 n LEU 607 CO 0.34 -0.49 0.00 0.61 -0.00 0.00 0.00 177.39 177.85 3kc6 n GLY 608 N 0.72 0.48 0.15 1.47 0.00 -1.26 -4.94 105.19 101.81 3kc6 n GLY 608 Ca 0.09 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.49 3kc6 n GLY 608 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kc6 n THR 609 N -2.88 1.38 -1.74 2.61 -2.24 -1.19 -4.10 114.28 106.10 3kc6 n THR 609 Ca 0.00 -1.63 -0.42 0.00 -2.27 0.00 0.00 64.05 59.73 3kc6 n THR 609 Cb 0.00 0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.21 3kc6 n THR 609 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3kc6 s PHE 610 N -2.05 2.69 -0.25 4.78 5.36 -1.26 -4.64 117.98 122.60 3kc6 s PHE 610 Ca 0.22 0.26 -0.03 0.00 -0.96 0.00 0.00 56.93 56.42 3kc6 s PHE 610 Cb 0.19 -4.13 0.08 0.00 -0.34 0.00 0.00 43.02 38.82 3kc6 s PHE 610 CO 0.02 -4.40 0.08 0.34 -1.46 0.00 0.00 175.22 169.80 3kc6 s ASP 611 N 1.64 3.38 0.07 6.13 -1.08 -1.26 -1.06 116.67 124.50 3kc6 s ASP 611 Ca 0.76 -1.19 -0.27 0.00 -0.52 0.00 0.00 52.55 51.34 3kc6 s ASP 611 Cb -0.48 -0.59 -0.17 0.00 -1.46 0.00 0.00 42.92 40.22 3kc6 s ASP 611 CO 0.33 -0.38 1.66 0.74 0.52 0.00 0.00 175.17 178.04 3kc6 h THR 612 N 6.47 0.74 -0.83 1.71 2.02 -1.98 -1.67 112.91 119.38 3kc6 h THR 612 Ca -0.16 -0.07 0.01 0.00 0.77 0.00 0.00 66.41 66.96 3kc6 h THR 612 Cb 1.06 0.78 -0.04 0.00 -1.74 0.00 0.00 68.15 68.21 3kc6 h THR 612 CO 0.40 0.01 0.54 0.58 0.37 0.00 0.00 175.52 177.43 3kc6 h VAL 613 N -0.40 1.22 -0.72 3.16 2.07 -1.99 -0.91 116.25 118.68 3kc6 h VAL 613 Ca -0.04 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 3kc6 h VAL 613 Cb 0.31 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.05 3kc6 h VAL 613 CO 0.06 0.21 0.33 -0.61 0.02 0.00 0.00 177.57 177.59 3kc6 h GLN 614 N 1.13 1.05 -0.20 1.57 5.75 -1.94 0.06 115.11 122.52 3kc6 h GLN 614 Ca 0.30 -0.16 -0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3kc6 h GLN 614 Cb -0.11 -0.18 -0.01 0.00 1.07 0.00 0.00 27.48 28.24 3kc6 h GLN 614 CO -0.06 0.83 0.11 0.82 -2.65 0.00 0.00 178.83 177.88 3kc6 h ILE 615 N 1.02 1.12 -0.35 2.39 2.04 -0.73 -1.97 117.51 121.03 3kc6 h ILE 615 Ca 0.25 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3kc6 h ILE 615 Cb 0.14 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.17 3kc6 h ILE 615 CO -0.03 0.12 0.22 0.40 0.00 0.00 0.00 178.15 178.86 3kc6 h ILE 616 N 0.21 1.11 -0.01 -0.67 2.04 -0.89 -1.04 117.51 118.25 3kc6 h ILE 616 Ca 0.07 -0.23 0.01 0.00 1.00 0.00 0.00 64.86 65.71 3kc6 h ILE 616 Cb 0.09 0.63 -0.01 0.00 -0.74 0.00 0.00 36.82 36.79 3kc6 h ILE 616 CO -0.01 0.11 -0.06 0.50 0.00 0.00 0.00 178.15 178.69 3kc6 h LYS 617 N 0.46 -0.09 0.00 2.37 3.64 -0.89 -3.18 116.57 118.88 3kc6 h LYS 617 Ca 0.13 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.51 3kc6 h LYS 617 Cb -0.02 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3kc6 h LYS 617 CO -0.03 -0.06 -0.51 -0.07 -2.27 0.00 0.00 179.45 176.52 3kc6 h LEU 618 N -0.09 0.00 -0.58 5.20 3.38 -1.27 -3.41 115.31 118.55 3kc6 h LEU 618 Ca 0.03 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.99 3kc6 h LEU 618 Cb 0.13 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 3kc6 h LEU 618 CO -0.07 0.05 0.21 0.25 0.09 0.00 0.00 178.44 178.97 3kc6 h LEU 619 N 0.00 0.22 -2.22 1.67 5.85 -1.17 -2.18 115.31 117.49 3kc6 h LEU 619 Ca 0.00 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.78 3kc6 h LEU 619 Cb 0.85 0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.93 3kc6 h LEU 619 CO 0.00 0.14 -0.06 -0.65 -0.34 0.00 0.00 178.44 177.53 3kc6 h PRO 620 N 0.40 0.00 0.00 5.25 0.11 -1.80 -1.04 132.00 134.92 3kc6 h PRO 620 Ca 0.29 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.38 3kc6 h PRO 620 Cb 0.34 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.44 3kc6 h PRO 620 CO -0.29 0.06 -0.08 0.74 -0.21 0.00 0.00 178.00 178.22 3kc6 h PHE 621 N 0.00 0.00 0.00 0.65 0.04 -1.70 -2.99 116.94 112.94 3kc6 h PHE 621 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3kc6 h PHE 621 Cb 0.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.35 3kc6 h PHE 621 CO 0.00 0.08 0.00 0.00 -0.60 0.00 0.00 178.31 177.79 3kc6 n ALA 622 N -2.14 1.88 1.26 2.45 0.00 -0.39 -3.21 120.51 120.35 3kc6 n ALA 622 Ca 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.54 3kc6 n ALA 622 Cb 0.37 -1.35 0.64 0.00 0.00 0.00 0.00 19.45 19.11 3kc6 n ALA 622 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc6 n ALA 623 N -1.60 2.27 -2.56 0.00 0.00 -1.13 -4.80 120.51 112.69 3kc6 n ALA 623 Ca 0.04 -0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.09 3kc6 n ALA 623 Cb 0.25 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.29 3kc6 n ALA 623 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kc6 s ALA 624 N -2.36 3.64 0.10 0.00 0.00 -1.26 -4.82 121.76 117.06 3kc6 s ALA 624 Ca 0.27 -0.68 -0.33 0.00 0.00 0.00 0.00 51.96 51.23 3kc6 s ALA 624 Cb 0.16 -2.24 -0.12 0.00 0.00 0.00 0.00 23.12 20.92 3kc6 s ALA 624 CO 0.33 0.14 1.74 -2.30 0.00 0.00 0.00 175.76 175.67 3kc6 n PRO 625 N -1.26 2.43 -2.38 0.00 -0.02 -1.26 -4.83 135.00 127.68 3kc6 n PRO 625 Ca -0.03 0.88 -0.40 0.00 -2.02 0.00 0.00 63.50 61.93 3kc6 n PRO 625 Cb 0.55 -2.72 -0.04 0.00 -0.02 0.00 0.00 33.50 31.28 3kc6 n PRO 625 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3kc6 s PRO 626 N 2.21 4.49 -0.30 0.52 0.04 -1.26 -4.33 135.00 136.36 3kc6 s PRO 626 Ca 0.82 1.88 -0.01 0.00 0.04 0.00 0.00 61.00 63.74 3kc6 s PRO 626 Cb -0.60 -3.07 0.05 0.00 0.04 0.00 0.00 34.50 30.92 3kc6 s PRO 626 CO 0.40 0.05 -0.01 0.21 0.04 0.00 0.00 177.00 177.69 3kc6 s LYS 627 N -1.67 2.37 0.44 4.56 2.20 0.15 -4.85 119.74 122.94 3kc6 s LYS 627 Ca 0.47 -1.30 -0.22 0.00 -0.36 0.00 0.00 55.97 54.56 3kc6 s LYS 627 Cb -0.33 -3.15 -0.09 0.00 -1.51 0.00 0.00 37.83 32.75 3kc6 s LYS 627 CO 0.43 -0.63 1.04 -1.14 -0.36 0.00 0.00 175.35 174.68 3kc6 s GLN 628 N 1.22 4.00 0.19 4.03 2.00 -1.26 -4.03 119.66 125.81 3kc6 s GLN 628 Ca -0.05 1.42 -0.11 0.00 -2.00 0.00 0.00 55.36 54.62 3kc6 s GLN 628 Cb -0.20 -2.31 0.04 0.00 0.80 0.00 0.00 33.01 31.34 3kc6 s GLN 628 CO -0.02 -0.27 0.55 -1.13 -0.50 0.00 0.00 175.29 173.92 3kc6 n SER 629 N -0.52 -1.26 -0.84 6.67 3.41 -1.26 -5.03 113.62 114.78 3kc6 n SER 629 Ca 0.07 -1.79 0.08 0.00 -0.26 0.00 0.00 58.87 56.97 3kc6 n SER 629 Cb 0.51 2.08 0.18 0.00 -0.26 0.00 0.00 64.21 66.72 3kc6 n SER 629 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 3kc6 n ARG 630 N -0.38 2.45 -2.04 4.33 0.00 -1.26 -5.02 116.66 114.75 3kc6 n ARG 630 Ca -0.04 -2.09 -0.39 0.00 -0.00 0.00 0.00 57.85 55.33 3kc6 n ARG 630 Cb 0.36 -1.36 0.00 0.00 -0.00 0.00 0.00 32.46 31.46 3kc6 n ARG 630 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.63 175.99 3kc6 s MET 631 N -1.07 3.82 0.03 2.89 -1.94 -1.26 -5.04 119.30 116.73 3kc6 s MET 631 Ca 0.30 2.13 0.04 0.00 -1.71 0.00 0.00 55.69 56.44 3kc6 s MET 631 Cb 0.16 -2.64 -0.04 0.00 2.01 0.00 0.00 34.83 34.32 3kc6 s MET 631 CO 0.22 -0.60 -0.05 -0.65 -0.01 0.00 0.00 175.02 173.93 3kc6 s GLN 632 N -2.40 2.54 -0.06 2.03 -1.52 -1.26 -4.88 119.66 114.11 3kc6 s GLN 632 Ca 0.60 -0.75 0.02 0.00 -1.95 0.00 0.00 55.36 53.27 3kc6 s GLN 632 Cb -0.37 -2.51 0.02 0.00 -0.22 0.00 0.00 33.01 29.92 3kc6 s GLN 632 CO 0.47 0.59 -0.10 -0.06 -0.25 0.00 0.00 175.29 175.94 3kc6 s PHE 633 N -1.08 1.25 -0.18 0.91 0.08 -1.26 -5.01 117.98 112.70 3kc6 s PHE 633 Ca 0.19 -0.45 0.19 0.00 0.12 0.00 0.00 56.93 56.99 3kc6 s PHE 633 Cb -0.11 -0.96 -0.06 0.00 -0.57 0.00 0.00 43.02 41.32 3kc6 s PHE 633 CO 0.10 -0.26 0.95 0.66 -0.10 0.00 0.00 175.22 176.57 3kc6 h SER 634 N 7.08 0.00 -5.11 1.36 4.64 -1.93 -3.45 113.55 116.14 3kc6 h SER 634 Ca -0.33 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.85 3kc6 h SER 634 Cb 1.17 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.10 3kc6 h SER 634 CO 0.47 0.31 -0.69 -0.94 -0.87 0.00 0.00 176.83 175.12 3kc6 s SER 635 N -5.63 0.53 -0.12 4.97 1.04 -1.26 -0.94 113.70 112.30 3kc6 s SER 635 Ca -0.01 -0.91 0.03 0.00 0.48 0.00 0.00 55.95 55.54 3kc6 s SER 635 Cb 0.09 0.17 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3kc6 s SER 635 CO 0.80 -0.52 -0.21 -0.76 0.98 0.00 0.00 173.24 173.53 3kc6 s LEU 636 N -2.66 1.99 0.01 2.42 1.43 0.57 -4.90 118.68 117.55 3kc6 s LEU 636 Ca 0.03 -0.53 -0.20 0.00 -1.03 0.00 0.00 54.13 52.40 3kc6 s LEU 636 Cb 0.04 -1.32 -0.06 0.00 0.03 0.00 0.00 46.19 44.89 3kc6 s LEU 636 CO -0.08 0.09 0.60 -0.89 0.23 0.00 0.00 176.35 176.30 3kc6 s THR 637 N 0.69 4.86 -0.02 5.49 2.01 -1.26 -0.64 115.64 126.78 3kc6 s THR 637 Ca -0.11 1.26 0.08 0.00 0.31 0.00 0.00 61.69 63.22 3kc6 s THR 637 Cb -0.16 -3.93 -0.02 0.00 0.01 0.00 0.00 72.50 68.40 3kc6 s THR 637 CO 0.02 0.44 -0.25 0.68 -0.69 0.00 0.00 174.62 174.82 3kc6 s VAL 638 N -0.38 1.98 -0.47 3.82 -7.23 -0.19 -4.29 120.40 113.64 3kc6 s VAL 638 Ca 0.31 -1.07 -0.24 0.00 -1.81 0.00 0.00 61.98 59.17 3kc6 s VAL 638 Cb -0.19 -1.64 0.03 0.00 0.56 0.00 0.00 36.38 35.14 3kc6 s VAL 638 CO 0.18 0.56 0.88 0.20 -0.31 0.00 0.00 175.10 176.60 3kc6 s ASN 639 N -0.58 6.45 -0.24 4.85 0.01 0.62 -0.10 114.94 125.95 3kc6 s ASN 639 Ca 0.09 -0.03 -0.04 0.00 -0.71 0.00 0.00 52.86 52.17 3kc6 s ASN 639 Cb -0.10 -2.43 0.08 0.00 0.41 0.00 0.00 41.25 39.22 3kc6 s ASN 639 CO -0.01 -1.03 0.11 -0.69 -1.51 0.00 0.00 177.10 173.98 3kc6 s VAL 640 N 3.61 -0.04 0.00 1.60 1.01 -1.26 -4.83 120.40 120.49 3kc6 s VAL 640 Ca 0.34 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3kc6 s VAL 640 Cb -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.43 3kc6 s VAL 640 CO 0.24 -0.55 0.00 0.54 0.00 0.00 0.00 175.10 175.34 3kc6 n ARG 641 N 5.25 0.00 0.00 2.72 3.00 -1.26 -4.62 116.66 121.75 3kc6 n ARG 641 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 3kc6 n ARG 641 Cb 0.45 -0.72 0.00 0.00 0.00 0.00 0.00 32.46 32.19 3kc6 n ARG 641 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3kc6 n GLY 644 N -0.28 -0.35 3.85 -0.13 0.00 -1.26 -5.24 105.19 101.79 3kc6 n GLY 644 Ca 0.00 -0.17 -0.34 0.00 0.00 0.00 0.00 46.02 45.50 3kc6 n GLY 644 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kc6 s MET 645 N 0.00 3.91 -0.24 1.61 -1.94 0.85 -4.86 119.30 118.64 3kc6 s MET 645 Ca 0.00 0.40 -0.08 0.00 -1.71 0.00 0.00 55.69 54.30 3kc6 s MET 645 Cb 0.00 -2.86 -0.04 0.00 2.01 0.00 0.00 34.83 33.95 3kc6 s MET 645 CO 0.00 0.44 0.09 -0.98 -0.01 0.00 0.00 175.02 174.56 3kc6 s ARG 646 N -2.20 3.79 -0.37 2.03 3.03 -1.26 -1.02 118.95 122.95 3kc6 s ARG 646 Ca 0.40 -0.42 -0.19 0.00 2.03 0.00 0.00 55.73 57.55 3kc6 s ARG 646 Cb -0.14 -3.36 0.00 0.00 -1.03 0.00 0.00 34.95 30.43 3kc6 s ARG 646 CO 0.20 -0.07 0.58 0.42 -1.13 0.00 0.00 175.30 175.29 3kc6 s ILE 647 N 1.34 4.94 0.21 4.99 1.01 0.19 -4.57 121.20 129.31 3kc6 s ILE 647 Ca 0.05 0.39 -0.31 0.00 0.00 0.00 0.00 60.65 60.79 3kc6 s ILE 647 Cb -0.15 -4.05 -0.10 0.00 0.01 0.00 0.00 42.46 38.17 3kc6 s ILE 647 CO 0.04 -0.32 1.51 -0.76 0.00 0.00 0.00 174.94 175.41 3kc6 s LEU 648 N 2.58 4.38 0.15 2.97 1.43 -1.26 -0.31 118.68 128.61 3kc6 s LEU 648 Ca 0.21 2.65 -0.13 0.00 -1.03 0.00 0.00 54.13 55.83 3kc6 s LEU 648 Cb -0.15 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.48 3kc6 s LEU 648 CO 0.15 -0.77 1.63 0.58 0.23 0.00 0.00 176.35 178.17 3kc6 h VAL 649 N 3.76 1.25 -3.73 -1.59 2.07 -1.36 -3.41 116.25 113.25 3kc6 h VAL 649 Ca -0.44 -0.91 -0.64 0.00 0.82 0.00 0.00 66.70 65.53 3kc6 h VAL 649 Cb 1.21 0.90 -0.18 0.00 -1.52 0.00 0.00 31.29 31.70 3kc6 h VAL 649 CO 0.84 0.32 -0.56 -0.60 0.02 0.00 0.00 177.57 177.60 3kc6 s ARG 650 N -5.21 3.87 1.46 1.57 3.52 -1.26 -4.94 118.95 117.95 3kc6 s ARG 650 Ca -0.13 -0.37 0.00 0.00 -0.13 0.00 0.00 55.73 55.10 3kc6 s ARG 650 Cb 0.11 -3.50 0.00 0.00 -1.56 0.00 0.00 34.95 30.01 3kc6 s ARG 650 CO 0.80 -0.12 0.00 0.41 -0.81 0.00 0.00 175.30 175.58 3kc6 n GLY 651 N 4.80 -1.67 3.89 8.12 0.00 -1.26 -4.94 105.19 114.14 3kc6 n GLY 651 Ca -0.15 -1.32 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 3kc6 n GLY 651 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3kc6 s ASN 652 N -4.00 6.39 0.16 1.61 0.01 -1.26 -4.74 114.94 113.10 3kc6 s ASN 652 Ca 0.00 1.01 -0.05 0.00 -0.71 0.00 0.00 52.86 53.11 3kc6 s ASN 652 Cb 0.00 -2.28 -0.02 0.00 0.41 0.00 0.00 41.25 39.36 3kc6 s ASN 652 CO 0.00 -0.48 0.19 -0.94 -1.51 0.00 0.00 177.10 174.36 3kc6 s SER 653 N -3.63 0.15 0.36 -1.22 1.04 0.11 -4.85 113.70 105.66 3kc6 s SER 653 Ca 0.49 -1.04 0.13 0.00 0.48 0.00 0.00 55.95 56.01 3kc6 s SER 653 Cb -0.10 0.38 0.95 0.00 0.10 0.00 0.00 66.02 67.35 3kc6 s SER 653 CO 0.38 -0.84 1.79 -0.65 0.98 0.00 0.00 173.24 174.90 3kc6 h PRO 654 N 2.66 0.53 -0.03 4.02 0.11 -1.98 -2.12 132.00 135.19 3kc6 h PRO 654 Ca -0.33 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.57 3kc6 h PRO 654 Cb 1.22 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.22 3kc6 h PRO 654 CO 0.52 0.35 -0.67 0.28 -0.21 0.00 0.00 178.00 178.27 3kc6 h VAL 655 N 0.55 1.38 -3.40 3.15 2.07 -1.91 -3.34 116.25 114.74 3kc6 h VAL 655 Ca 0.57 -2.05 -0.58 0.00 0.82 0.00 0.00 66.70 65.46 3kc6 h VAL 655 Cb 1.20 2.44 -0.39 0.00 -1.52 0.00 0.00 31.29 33.01 3kc6 h VAL 655 CO -0.32 0.61 -0.77 0.12 0.02 0.00 0.00 177.57 177.23 3kc6 s PHE 656 N -3.36 1.94 -0.27 1.57 5.36 -0.80 -1.41 117.98 121.01 3kc6 s PHE 656 Ca -0.12 -1.61 0.00 0.00 -0.96 0.00 0.00 56.93 54.24 3kc6 s PHE 656 Cb 0.05 -1.58 0.08 0.00 -0.34 0.00 0.00 43.02 41.23 3kc6 s PHE 656 CO 0.85 -0.78 0.01 1.21 -1.46 0.00 0.00 175.22 175.05 3kc6 s ASN 657 N 1.54 3.94 -0.23 6.13 3.84 -0.28 0.08 114.94 129.97 3kc6 s ASN 657 Ca 0.01 -1.41 -0.18 0.00 0.21 0.00 0.00 52.86 51.49 3kc6 s ASN 657 Cb -0.18 -1.11 -0.03 0.00 -0.55 0.00 0.00 41.25 39.38 3kc6 s ASN 657 CO -0.12 -0.31 0.50 -0.47 -2.79 0.00 0.00 177.10 173.91 3kc6 s TYR 658 N 1.42 3.32 -0.46 0.43 5.04 -1.26 -0.48 117.35 125.36 3kc6 s TYR 658 Ca 0.01 0.69 -0.17 0.00 -2.44 0.00 0.00 57.07 55.16 3kc6 s TYR 658 Cb -0.18 -2.68 0.05 0.00 0.35 0.00 0.00 41.96 39.50 3kc6 s TYR 658 CO -0.11 -0.18 0.47 1.21 -1.34 0.00 0.00 175.55 175.60 3kc6 s ASN 659 N 1.34 6.19 0.19 4.32 3.84 0.02 -4.94 114.94 125.89 3kc6 s ASN 659 Ca 0.22 -0.94 -0.10 0.00 0.21 0.00 0.00 52.86 52.25 3kc6 s ASN 659 Cb -0.15 -2.23 0.12 0.00 -0.55 0.00 0.00 41.25 38.43 3kc6 s ASN 659 CO 0.09 -0.69 1.76 0.07 -2.79 0.00 0.00 177.10 175.55 3kc6 h LYS 660 N 8.81 1.02 -0.86 0.43 5.09 -1.95 0.38 116.57 129.48 3kc6 h LYS 660 Ca -0.27 -0.17 0.08 0.00 0.09 0.00 0.00 60.65 60.38 3kc6 h LYS 660 Cb 1.11 -0.17 -0.07 0.00 0.10 0.00 0.00 32.23 33.19 3kc6 h LYS 660 CO 0.87 0.83 0.52 0.00 -2.09 0.00 0.00 179.45 179.57 3kc6 h ALA 661 N 1.14 1.22 0.00 0.07 0.00 -1.97 -2.94 119.26 116.78 3kc6 h ALA 661 Ca 0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kc6 h ALA 661 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3kc6 h ALA 661 CO -0.02 0.19 -0.82 0.25 0.00 0.00 0.00 179.25 178.84 3kc6 n THR 662 N -4.68 0.00 -1.02 0.00 -2.24 -1.10 -4.99 114.28 100.25 3kc6 n THR 662 Ca 0.14 -0.12 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3kc6 n THR 662 Cb 0.25 0.96 -0.00 0.00 -2.10 0.00 0.00 70.33 69.44 3kc6 n THR 662 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3kc6 n LYS 663 N -1.42 -0.95 -3.15 -0.78 0.00 0.13 -4.88 118.16 107.11 3kc6 n LYS 663 Ca 0.03 0.29 -0.39 0.00 -0.00 0.00 0.00 58.31 58.24 3kc6 n LYS 663 Cb 0.26 -4.03 -0.06 0.00 -0.00 0.00 0.00 35.03 31.20 3kc6 n LYS 663 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3kc6 s ARG 664 N -1.12 4.35 -0.20 -1.58 0.52 -1.19 -0.75 118.95 118.97 3kc6 s ARG 664 Ca 0.00 0.88 -0.11 0.00 -0.52 0.00 0.00 55.73 55.98 3kc6 s ARG 664 Cb 0.00 -3.28 -0.05 0.00 0.52 0.00 0.00 34.95 32.14 3kc6 s ARG 664 CO 0.00 0.53 0.19 -1.17 0.02 0.00 0.00 175.30 174.88 3kc6 s LEU 665 N -0.83 4.19 -0.17 2.53 2.96 -0.07 -0.80 118.68 126.49 3kc6 s LEU 665 Ca 0.32 0.28 0.00 0.00 -0.22 0.00 0.00 54.13 54.51 3kc6 s LEU 665 Cb -0.20 -2.19 0.01 0.00 0.50 0.00 0.00 46.19 44.30 3kc6 s LEU 665 CO 0.21 0.11 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.30 3kc6 s THR 666 N 0.65 2.49 -0.18 3.68 2.01 0.37 -1.18 115.64 123.48 3kc6 s THR 666 Ca 0.11 -0.82 0.00 0.00 0.31 0.00 0.00 61.69 61.29 3kc6 s THR 666 Cb -0.12 -2.05 0.01 0.00 0.01 0.00 0.00 72.50 70.35 3kc6 s THR 666 CO 0.02 0.52 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.60 3kc6 s VAL 667 N 1.03 2.29 -1.52 3.82 1.01 -0.12 -1.12 120.40 125.79 3kc6 s VAL 667 Ca -0.01 -0.87 -0.13 0.00 0.00 0.00 0.00 61.98 60.97 3kc6 s VAL 667 Cb -0.15 -1.97 0.09 0.00 0.00 0.00 0.00 36.38 34.35 3kc6 s VAL 667 CO -0.04 0.52 0.88 0.18 0.00 0.00 0.00 175.10 176.64 3kc6 n LEU 668 N 4.55 -2.36 0.00 3.92 4.77 -0.50 -1.10 117.00 126.28 3kc6 n LEU 668 Ca -0.20 -0.71 0.00 0.00 -0.03 0.00 0.00 56.01 55.07 3kc6 n LEU 668 Cb 0.50 -2.49 0.00 0.00 -2.33 0.00 0.00 43.42 39.10 3kc6 n LEU 668 CO 0.27 0.40 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 3kc6 n GLY 669 N -1.59 0.45 3.59 -0.72 0.00 -1.26 -5.01 105.19 100.64 3kc6 n GLY 669 Ca 0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.76 3kc6 n GLY 669 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kc6 s LYS 670 N -0.60 2.16 -0.05 1.61 1.02 -0.26 -5.07 119.74 118.55 3kc6 s LYS 670 Ca 0.00 -1.04 -0.30 0.00 0.02 0.00 0.00 55.97 54.65 3kc6 s LYS 670 Cb 0.00 -2.31 -0.04 0.00 -0.52 0.00 0.00 37.83 34.96 3kc6 s LYS 670 CO 0.00 0.50 1.39 0.34 -0.92 0.00 0.00 175.35 176.66 3kc6 s ASP 671 N -2.31 6.86 -0.00 2.83 2.15 -1.26 -0.94 116.67 124.00 3kc6 s ASP 671 Ca 0.22 2.01 0.21 0.00 0.43 0.00 0.00 52.55 55.42 3kc6 s ASP 671 Cb -0.11 -2.55 -0.23 0.00 -0.30 0.00 0.00 42.92 39.73 3kc6 s ASP 671 CO 0.14 -0.75 0.88 0.00 -0.17 0.00 0.00 175.17 175.27 3kc6 n ALA 672 N 5.94 4.66 0.00 3.66 0.00 -0.33 -4.92 120.51 129.52 3kc6 n ALA 672 Ca 0.14 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.98 3kc6 n ALA 672 Cb 0.44 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 19.12 3kc6 n ALA 672 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc6 n GLY 673 N 1.49 0.81 3.28 0.00 0.00 -1.24 -4.08 105.19 105.44 3kc6 n GLY 673 Ca 0.04 -2.23 -0.28 0.00 0.00 0.00 0.00 46.02 43.55 3kc6 n GLY 673 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kc6 s ALA 674 N -1.16 1.94 0.62 4.61 0.00 -1.26 -0.89 121.76 125.62 3kc6 s ALA 674 Ca 0.00 -1.09 -0.00 0.00 0.00 0.00 0.00 51.96 50.87 3kc6 s ALA 674 Cb 0.00 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.76 3kc6 s ALA 674 CO 0.00 0.46 0.87 -0.51 0.00 0.00 0.00 175.76 176.57 3kc6 s LEU 675 N -0.98 3.13 0.19 0.00 1.43 0.07 -5.00 118.68 117.52 3kc6 s LEU 675 Ca 0.09 -0.06 0.11 0.00 -1.03 0.00 0.00 54.13 53.25 3kc6 s LEU 675 Cb -0.09 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 3kc6 s LEU 675 CO 0.01 -1.41 -0.24 0.42 0.23 0.00 0.00 176.35 175.36 3kc6 s THR 676 N -2.93 2.38 0.05 5.49 -4.23 -1.26 -4.89 115.64 110.25 3kc6 s THR 676 Ca 0.60 -2.00 -0.32 0.00 -1.18 0.00 0.00 61.69 58.80 3kc6 s THR 676 Cb -0.09 -2.14 -0.11 0.00 1.34 0.00 0.00 72.50 71.51 3kc6 s THR 676 CO 0.41 -0.10 1.88 -1.84 -0.54 0.00 0.00 174.62 174.43 3kc6 n GLU 677 N 0.31 2.65 -3.75 3.99 0.00 -1.26 -4.99 120.64 117.59 3kc6 n GLU 677 Ca -0.13 0.97 -0.37 0.00 0.00 0.00 0.00 57.16 57.62 3kc6 n GLU 677 Cb 0.56 -2.86 -0.12 0.00 0.00 0.00 0.00 31.44 29.01 3kc6 n GLU 677 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3kc6 s ASP 678 N 3.47 5.16 0.63 -1.84 -1.08 -1.26 -4.99 116.67 116.76 3kc6 s ASP 678 Ca 0.86 -0.68 0.28 0.00 -0.52 0.00 0.00 52.55 52.50 3kc6 s ASP 678 Cb -0.52 -1.89 1.50 0.00 -1.46 0.00 0.00 42.92 40.54 3kc6 s ASP 678 CO 0.42 -0.19 1.88 -0.65 0.52 0.00 0.00 175.17 177.15 3kc6 h PRO 679 N 8.24 0.00 0.00 4.34 0.11 -2.05 -1.54 132.00 141.11 3kc6 h PRO 679 Ca -0.32 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3kc6 h PRO 679 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kc6 h PRO 679 CO 0.60 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 178.14 3kc6 n ASP 680 N -3.31 0.31 -4.68 -2.05 8.00 -1.26 -4.89 116.55 108.67 3kc6 n ASP 680 Ca 0.03 0.55 -0.45 0.00 0.71 0.00 0.00 54.79 55.64 3kc6 n ASP 680 Cb 0.55 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.98 3kc6 n ASP 680 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3kc6 n GLU 681 N -1.81 2.41 -2.32 -1.24 4.07 -0.58 -4.56 120.64 116.61 3kc6 n GLU 681 Ca 0.04 0.87 -0.41 0.00 -0.06 0.00 0.00 57.16 57.61 3kc6 n GLU 681 Cb 0.27 -2.71 -0.03 0.00 -0.06 0.00 0.00 31.44 28.91 3kc6 n GLU 681 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 3kc6 s GLY 682 N 2.38 2.80 -0.09 8.31 0.00 -0.22 -4.92 107.32 115.59 3kc6 s GLY 682 Ca 0.83 1.03 0.13 0.00 0.00 0.00 0.00 44.72 46.71 3kc6 s GLY 682 CO 0.41 1.81 1.09 -1.30 0.00 0.00 0.00 173.10 175.11 3kc6 n THR 683 N 1.83 1.47 1.00 0.90 -2.24 -1.26 -4.75 114.28 111.22 3kc6 n THR 683 Ca 0.02 -1.72 0.13 0.00 -2.27 0.00 0.00 64.05 60.21 3kc6 n THR 683 Cb 0.44 0.02 0.43 0.00 -2.10 0.00 0.00 70.33 69.12 3kc6 n THR 683 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3kc6 n ALA 684 N -1.07 2.93 -0.78 6.98 0.00 -1.26 -4.91 120.51 122.40 3kc6 n ALA 684 Ca 0.11 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kc6 n ALA 684 Cb 0.56 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.72 3kc6 n ALA 684 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc6 n GLY 685 N 1.50 0.37 3.66 0.00 0.00 -1.26 -4.98 105.19 104.48 3kc6 n GLY 685 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3kc6 n GLY 685 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kc6 s VAL 686 N -2.06 4.76 -0.30 1.61 1.01 -1.26 -4.53 120.40 119.63 3kc6 s VAL 686 Ca 0.00 1.87 -0.08 0.00 0.00 0.00 0.00 61.98 63.77 3kc6 s VAL 686 Cb 0.00 -4.24 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 3kc6 s VAL 686 CO 0.00 -0.10 0.12 -1.61 0.00 0.00 0.00 175.10 173.51 3kc6 s GLU 687 N 2.79 3.29 0.00 2.72 2.02 -0.66 -4.77 118.70 124.08 3kc6 s GLU 687 Ca 0.42 -0.74 0.22 0.00 0.02 0.00 0.00 54.97 54.90 3kc6 s GLU 687 Cb -0.16 -3.47 0.02 0.00 0.10 0.00 0.00 34.13 30.62 3kc6 s GLU 687 CO 0.09 -0.40 1.08 -1.13 0.02 0.00 0.00 175.26 174.93 3kc6 n SER 688 N 4.93 1.32 -2.60 -0.19 3.41 -1.26 -1.72 113.62 117.52 3kc6 n SER 688 Ca -0.14 -1.10 -0.21 0.00 -0.26 0.00 0.00 58.87 57.16 3kc6 n SER 688 Cb 0.49 0.65 0.01 0.00 -0.26 0.00 0.00 64.21 65.10 3kc6 n SER 688 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kc6 n ALA 689 N -0.89 4.39 0.00 7.33 0.00 -1.26 -4.30 120.51 125.77 3kc6 n ALA 689 Ca 0.07 -3.93 0.00 0.00 0.00 0.00 0.00 53.44 49.58 3kc6 n ALA 689 Cb 0.38 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3kc6 n ALA 689 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kc6 n VAL 690 N -0.30 0.00 -4.85 0.00 0.31 -1.26 -4.96 118.33 107.26 3kc6 n VAL 690 Ca 0.28 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.28 3kc6 n VAL 690 Cb 0.69 -1.25 -0.13 0.00 -0.91 0.00 0.00 33.84 32.24 3kc6 n VAL 690 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 3kc6 s LEU 691 N -5.73 2.77 -0.31 7.52 1.43 -1.26 -4.86 118.68 118.23 3kc6 s LEU 691 Ca 0.00 -0.20 -0.29 0.00 -1.03 0.00 0.00 54.13 52.61 3kc6 s LEU 691 Cb 0.00 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.65 3kc6 s LEU 691 CO 0.00 0.32 1.19 -0.60 0.23 0.00 0.00 176.35 177.49 3kc6 s ARG 692 N -0.57 3.98 0.00 1.70 3.52 -1.26 -3.04 118.95 123.28 3kc6 s ARG 692 Ca 0.08 1.15 0.00 0.00 -0.13 0.00 0.00 55.73 56.83 3kc6 s ARG 692 Cb -0.11 -3.81 0.00 0.00 -1.56 0.00 0.00 34.95 29.46 3kc6 s ARG 692 CO 0.01 -1.02 0.00 0.41 -0.81 0.00 0.00 175.30 173.89 3kc6 n GLY 693 N 4.12 0.71 3.24 8.12 0.00 -1.26 -5.04 105.19 115.08 3kc6 n GLY 693 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 3kc6 n GLY 693 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3kc6 s PHE 694 N -2.59 1.23 -0.05 1.61 0.08 -1.17 -0.84 117.98 116.24 3kc6 s PHE 694 Ca 0.00 -0.76 0.05 0.00 0.12 0.00 0.00 56.93 56.34 3kc6 s PHE 694 Cb 0.00 -0.63 -0.02 0.00 -0.57 0.00 0.00 43.02 41.80 3kc6 s PHE 694 CO 0.00 0.06 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.48 3kc6 s LEU 695 N -3.10 2.43 -0.14 -0.37 1.43 0.39 -4.49 118.68 114.84 3kc6 s LEU 695 Ca 0.15 -0.34 -0.24 0.00 -1.03 0.00 0.00 54.13 52.67 3kc6 s LEU 695 Cb 0.02 -1.47 -0.02 0.00 0.03 0.00 0.00 46.19 44.75 3kc6 s LEU 695 CO 0.00 0.30 0.75 -0.63 0.23 0.00 0.00 176.35 177.00 3kc6 s ILE 696 N -0.45 4.96 -0.19 -0.59 1.01 -0.70 -0.79 121.20 124.45 3kc6 s ILE 696 Ca 0.05 1.49 -0.04 0.00 0.00 0.00 0.00 60.65 62.15 3kc6 s ILE 696 Cb -0.12 -4.07 -0.21 0.00 0.01 0.00 0.00 42.46 38.07 3kc6 s ILE 696 CO 0.01 0.12 0.07 0.18 0.00 0.00 0.00 174.94 175.32 3kc6 n LEU 697 N 4.70 2.71 0.00 2.97 4.77 0.22 -1.66 117.00 130.71 3kc6 n LEU 697 Ca 0.02 0.08 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 3kc6 n LEU 697 Cb 0.50 -1.01 0.00 0.00 -2.33 0.00 0.00 43.42 40.58 3kc6 n LEU 697 CO 0.47 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.99 3kc6 n GLY 698 N 2.04 -0.58 3.68 -0.72 0.00 -1.19 -4.49 105.19 103.93 3kc6 n GLY 698 Ca -0.39 -0.57 -0.33 0.00 0.00 0.00 0.00 46.02 44.72 3kc6 n GLY 698 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc6 n LYS 699 N 0.00 0.06 -1.56 1.61 5.02 -1.26 -1.08 118.16 120.95 3kc6 n LYS 699 Ca 0.00 0.10 -0.47 0.00 -2.02 0.00 0.00 58.31 55.92 3kc6 n LYS 699 Cb 0.00 -2.42 -0.03 0.00 -0.02 0.00 0.00 35.03 32.56 3kc6 n LYS 699 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 3kc6 n GLU 700 N -3.43 1.07 -3.82 1.97 2.13 -1.07 -3.22 120.64 114.26 3kc6 n GLU 700 Ca 0.13 0.38 -0.29 0.00 0.66 0.00 0.00 57.16 58.04 3kc6 n GLU 700 Cb 0.51 -1.75 -0.16 0.00 0.27 0.00 0.00 31.44 30.30 3kc6 n GLU 700 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3kc6 s ASP 701 N -0.37 3.58 0.63 4.31 -1.08 -1.26 -4.88 116.67 117.59 3kc6 s ASP 701 Ca 0.66 -1.19 0.35 0.00 -0.52 0.00 0.00 52.55 51.85 3kc6 s ASP 701 Cb -0.81 -0.91 1.98 0.00 -1.46 0.00 0.00 42.92 41.72 3kc6 s ASP 701 CO 0.56 -0.31 2.22 0.07 0.52 0.00 0.00 175.17 178.24 3kc6 h LYS 702 N 8.08 0.00 -0.29 4.34 5.09 -1.94 -1.43 116.57 130.43 3kc6 h LYS 702 Ca -0.16 0.00 0.08 0.00 0.09 0.00 0.00 60.65 60.67 3kc6 h LYS 702 Cb 1.07 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 33.39 3kc6 h LYS 702 CO 0.40 0.00 0.35 0.00 -2.09 0.00 0.00 179.45 178.11 3kc6 h ARG 703 N 0.00 0.00 -0.38 0.07 3.08 -2.03 -2.40 114.38 112.72 3kc6 h ARG 703 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.07 3kc6 h ARG 703 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 3kc6 h ARG 703 CO -0.00 0.00 0.00 0.66 -1.07 0.00 0.00 179.97 179.56 3kc6 n TYR 704 N -3.65 1.38 -0.02 3.04 4.01 -0.54 -5.08 117.16 116.30 3kc6 n TYR 704 Ca 0.04 -0.83 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 3kc6 n TYR 704 Cb 0.49 -0.39 -0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3kc6 n TYR 704 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc6 n GLY 705 N -0.09 -1.48 3.69 2.72 0.00 -0.91 -4.23 105.19 104.90 3kc6 n GLY 705 Ca 0.24 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.40 3kc6 n GLY 705 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kc6 s PRO 706 N -1.32 1.59 0.33 1.61 0.02 -1.26 -4.42 135.00 131.55 3kc6 s PRO 706 Ca 0.00 1.77 -0.27 0.00 0.02 0.00 0.00 61.00 62.51 3kc6 s PRO 706 Cb 0.00 -1.77 -0.09 0.00 0.02 0.00 0.00 34.50 32.66 3kc6 s PRO 706 CO 0.00 -2.25 1.11 0.00 -0.33 0.00 0.00 177.00 175.53 3kc6 s ALA 707 N -2.15 3.29 0.19 -1.55 0.00 -1.26 -4.55 121.76 115.72 3kc6 s ALA 707 Ca 0.73 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.59 3kc6 s ALA 707 Cb -0.29 -3.33 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 3kc6 s ALA 707 CO 0.51 -0.27 0.34 -0.51 0.00 0.00 0.00 175.76 175.83 3kc6 s LEU 708 N -1.95 4.28 0.81 0.00 1.43 0.89 -4.80 118.68 119.33 3kc6 s LEU 708 Ca 0.50 0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 53.75 3kc6 s LEU 708 Cb -0.30 -3.02 0.08 0.00 0.03 0.00 0.00 46.19 42.98 3kc6 s LEU 708 CO 0.38 -0.01 1.11 -0.94 0.23 0.00 0.00 176.35 177.12 3kc6 s SER 709 N -3.30 4.42 0.49 2.29 1.04 -1.26 -0.46 113.70 116.91 3kc6 s SER 709 Ca 0.36 1.16 0.33 0.00 0.48 0.00 0.00 55.95 58.28 3kc6 s SER 709 Cb -0.11 -1.85 1.47 0.00 0.10 0.00 0.00 66.02 65.63 3kc6 s SER 709 CO 0.29 -2.00 1.98 0.40 0.98 0.00 0.00 173.24 174.89 3kc6 h ILE 710 N -1.11 0.00 -0.01 -1.02 1.08 -1.98 -2.55 117.51 111.92 3kc6 h ILE 710 Ca -0.47 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 3kc6 h ILE 710 Cb 1.28 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.26 3kc6 h ILE 710 CO 0.61 0.00 -0.07 0.59 -0.69 0.00 0.00 178.15 178.59 3kc6 n ASN 711 N -2.85 0.60 -0.45 1.72 4.13 -1.26 -4.18 115.26 112.97 3kc6 n ASN 711 Ca 0.00 -0.85 0.08 0.00 1.68 0.00 0.00 54.58 55.49 3kc6 n ASN 711 Cb 0.23 -0.04 0.17 0.00 -1.54 0.00 0.00 39.78 38.60 3kc6 n ASN 711 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3kc6 n GLU 712 N -0.73 2.30 0.00 3.52 1.02 -0.96 -4.64 120.64 121.14 3kc6 n GLU 712 Ca 0.17 -2.51 0.11 0.00 -0.02 0.00 0.00 57.16 54.91 3kc6 n GLU 712 Cb 0.26 -1.56 0.08 0.00 -0.02 0.00 0.00 31.44 30.20 3kc6 n GLU 712 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kc6 n LEU 713 N -0.76 0.96 0.15 -4.62 4.77 -1.26 -4.35 117.00 111.89 3kc6 n LEU 713 Ca 0.16 -0.33 0.13 0.00 -0.03 0.00 0.00 56.01 55.94 3kc6 n LEU 713 Cb 0.68 -0.10 0.44 0.00 -2.33 0.00 0.00 43.42 42.10 3kc6 n LEU 713 CO 0.07 0.22 0.88 0.77 -1.33 0.00 0.00 177.39 178.00 3kc6 h SER 714 N 0.43 0.00 0.44 -1.43 4.64 -1.90 -2.63 113.55 113.10 3kc6 h SER 714 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kc6 h SER 714 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 3kc6 h SER 714 CO 0.00 0.00 -0.18 0.59 -0.87 0.00 0.00 176.83 176.37 3kc6 n ASN 715 N -2.50 0.50 -4.77 4.97 4.13 -1.26 -4.93 115.26 111.41 3kc6 n ASN 715 Ca 0.04 -0.45 -0.39 0.00 1.68 0.00 0.00 54.58 55.46 3kc6 n ASN 715 Cb 0.36 -0.04 -0.03 0.00 -1.54 0.00 0.00 39.78 38.53 3kc6 n ASN 715 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 3kc6 s LEU 716 N -2.62 4.32 0.65 3.41 1.02 -0.99 -5.02 118.68 119.44 3kc6 s LEU 716 Ca 0.24 2.26 -0.12 0.00 0.02 0.00 0.00 54.13 56.53 3kc6 s LEU 716 Cb 0.19 -3.91 -0.02 0.00 0.02 0.00 0.00 46.19 42.48 3kc6 s LEU 716 CO 0.52 -0.43 1.05 0.00 0.02 0.00 0.00 176.35 177.50 3kc6 s ALA 717 N -1.37 2.83 0.18 4.21 0.00 -1.26 -4.98 121.76 121.37 3kc6 s ALA 717 Ca 0.52 0.09 -0.32 0.00 0.00 0.00 0.00 51.96 52.25 3kc6 s ALA 717 Cb -0.29 -3.15 -0.11 0.00 0.00 0.00 0.00 23.12 19.57 3kc6 s ALA 717 CO 0.37 -0.95 1.61 0.15 0.00 0.00 0.00 175.76 176.95 3kc6 s LYS 718 N -4.88 4.19 0.00 0.00 1.02 -1.26 -1.91 119.74 116.90 3kc6 s LYS 718 Ca 0.58 2.43 0.00 0.00 0.02 0.00 0.00 55.97 59.00 3kc6 s LYS 718 Cb -0.13 -3.13 0.00 0.00 -0.52 0.00 0.00 37.83 34.05 3kc6 s LYS 718 CO 0.50 -0.65 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 3kc6 n GLY 719 N 3.80 2.62 3.77 -3.33 0.00 -0.05 -4.92 105.19 107.08 3kc6 n GLY 719 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 3kc6 n GLY 719 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kc6 s GLU 720 N -0.35 3.77 0.14 1.61 2.12 -0.80 -4.70 118.70 120.49 3kc6 s GLU 720 Ca 0.00 1.87 0.08 0.00 0.36 0.00 0.00 54.97 57.29 3kc6 s GLU 720 Cb 0.00 -2.48 -0.04 0.00 0.26 0.00 0.00 34.13 31.87 3kc6 s GLU 720 CO 0.00 -0.57 -0.10 0.15 -0.54 0.00 0.00 175.26 174.20 3kc6 s LYS 721 N -2.59 2.06 0.07 4.30 1.02 -1.26 -1.52 119.74 121.81 3kc6 s LYS 721 Ca 0.62 -1.16 -0.26 0.00 0.02 0.00 0.00 55.97 55.20 3kc6 s LYS 721 Cb -0.31 -2.22 0.07 0.00 -0.52 0.00 0.00 37.83 34.85 3kc6 s LYS 721 CO 0.38 0.47 0.63 0.00 -0.92 0.00 0.00 175.35 175.91 3kc6 s ALA 722 N -1.44 -1.65 0.23 5.17 0.00 -0.78 -4.96 121.76 118.33 3kc6 s ALA 722 Ca 0.23 0.82 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 3kc6 s ALA 722 Cb -0.10 0.51 -0.08 0.00 0.00 0.00 0.00 23.12 23.45 3kc6 s ALA 722 CO 0.14 -0.60 0.72 -0.80 0.00 0.00 0.00 175.76 175.23 3kc6 s ASN 723 N -2.09 7.03 -0.02 0.00 0.01 -1.26 -0.42 114.94 118.19 3kc6 s ASN 723 Ca -0.04 1.40 0.01 0.00 -0.71 0.00 0.00 52.86 53.52 3kc6 s ASN 723 Cb -0.01 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.25 3kc6 s ASN 723 CO -0.03 0.02 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.85 3kc6 s VAL 724 N -1.56 0.37 -0.90 1.60 1.01 0.30 -0.08 120.40 121.15 3kc6 s VAL 724 Ca 0.44 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.08 3kc6 s VAL 724 Cb -0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 36.38 35.84 3kc6 s VAL 724 CO 0.21 0.15 1.70 -1.48 0.00 0.00 0.00 175.10 175.68 3kc6 s LEU 725 N 0.53 3.30 0.41 3.92 -0.00 0.39 -1.69 118.68 125.53 3kc6 s LEU 725 Ca -0.06 -0.82 0.23 0.00 -0.00 0.00 0.00 54.13 53.48 3kc6 s LEU 725 Cb -0.09 -2.56 0.29 0.00 -0.00 0.00 0.00 46.19 43.83 3kc6 s LEU 725 CO -0.00 -2.18 1.54 -0.29 -0.00 0.00 0.00 176.35 175.41 3kc6 h ILE 726 N 6.94 0.04 0.00 1.48 6.09 -1.72 -3.38 117.51 126.96 3kc6 h ILE 726 Ca 0.06 -1.05 0.00 0.00 -1.37 0.00 0.00 64.86 62.50 3kc6 h ILE 726 Cb 1.03 1.96 0.00 0.00 0.47 0.00 0.00 36.82 40.28 3kc6 h ILE 726 CO 1.30 0.02 0.00 0.61 -3.07 0.00 0.00 178.15 177.01 3kc6 n GLY 727 N 1.12 2.47 7.00 8.18 0.00 -1.24 -4.95 105.19 117.76 3kc6 n GLY 727 Ca 0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.71 3kc6 n GLY 727 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3kc6 n GLN 728 N -1.38 0.00 -0.76 1.61 1.13 -1.26 0.17 117.38 116.89 3kc6 n GLN 728 Ca 0.00 0.00 0.07 0.00 -1.94 0.00 0.00 57.00 55.13 3kc6 n GLN 728 Cb 0.00 0.00 0.35 0.00 0.11 0.00 0.00 30.24 30.70 3kc6 n GLN 728 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3kc6 n GLY 729 N 0.00 3.40 3.68 1.08 0.00 -1.26 -5.02 105.19 107.07 3kc6 n GLY 729 Ca 0.00 -0.97 -0.42 0.00 0.00 0.00 0.00 46.02 44.63 3kc6 n GLY 729 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kc6 s ASP 730 N -1.19 7.14 -0.16 1.61 1.01 0.13 -5.03 116.67 120.18 3kc6 s ASP 730 Ca 0.51 1.40 -0.02 0.00 0.71 0.00 0.00 52.55 55.14 3kc6 s ASP 730 Cb 0.40 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 3kc6 s ASP 730 CO 0.13 -0.42 -0.08 -0.69 0.21 0.00 0.00 175.17 174.32 3kc6 s VAL 731 N 2.01 3.38 0.13 -1.27 1.01 -1.26 -2.06 120.40 122.34 3kc6 s VAL 731 Ca 0.44 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.98 3kc6 s VAL 731 Cb -0.18 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3kc6 s VAL 731 CO 0.16 0.49 -0.20 0.68 0.00 0.00 0.00 175.10 176.23 3kc6 s VAL 732 N 0.60 1.76 -0.05 2.92 -7.23 -0.68 -2.59 120.40 115.12 3kc6 s VAL 732 Ca -0.05 -1.70 -0.27 0.00 -1.81 0.00 0.00 61.98 58.14 3kc6 s VAL 732 Cb -0.15 -1.68 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 3kc6 s VAL 732 CO 0.03 -0.17 0.88 -0.22 -0.31 0.00 0.00 175.10 175.31 3kc6 s LEU 733 N -2.22 4.32 0.32 1.32 2.96 -0.24 -0.54 118.68 124.60 3kc6 s LEU 733 Ca 0.10 1.44 0.10 0.00 -0.22 0.00 0.00 54.13 55.56 3kc6 s LEU 733 Cb -0.08 -3.38 -0.06 0.00 0.50 0.00 0.00 46.19 43.17 3kc6 s LEU 733 CO 0.05 -0.25 -0.10 0.68 -1.32 0.00 0.00 176.35 175.41 3kc6 s VAL 734 N 1.18 2.43 -0.05 1.68 -7.23 0.44 -0.61 120.40 118.25 3kc6 s VAL 734 Ca 0.46 -2.21 0.02 0.00 -1.81 0.00 0.00 61.98 58.44 3kc6 s VAL 734 Cb -0.19 -2.58 0.01 0.00 0.56 0.00 0.00 36.38 34.18 3kc6 s VAL 734 CO 0.22 -0.27 -0.11 -0.32 -0.31 0.00 0.00 175.10 174.31 3kc6 s MET 735 N -3.60 1.45 0.08 4.82 1.75 0.03 -1.86 119.30 121.96 3kc6 s MET 735 Ca 0.32 -0.38 -0.31 0.00 -1.25 0.00 0.00 55.69 54.07 3kc6 s MET 735 Cb -0.01 -1.25 -0.06 0.00 2.84 0.00 0.00 34.83 36.35 3kc6 s MET 735 CO 0.17 0.07 1.27 0.21 -0.65 0.00 0.00 175.02 176.09 3kc6 s LYS 736 N 0.49 4.39 0.65 4.11 2.20 -0.58 -0.46 119.74 130.54 3kc6 s LYS 736 Ca -0.10 1.88 -0.16 0.00 -0.36 0.00 0.00 55.97 57.23 3kc6 s LYS 736 Cb -0.13 -3.32 -0.01 0.00 -1.51 0.00 0.00 37.83 32.86 3kc6 s LYS 736 CO 0.02 -0.33 1.14 1.03 -0.36 0.00 0.00 175.35 176.85 3kc6 s ARG 737 N 1.12 2.79 0.00 4.03 0.52 -0.02 -0.87 118.95 126.52 3kc6 s ARG 737 Ca 0.61 1.53 0.26 0.00 -0.52 0.00 0.00 55.73 57.61 3kc6 s ARG 737 Cb -0.32 -1.94 0.77 0.00 0.52 0.00 0.00 34.95 33.99 3kc6 s ARG 737 CO 0.29 -1.28 1.58 1.63 0.02 0.00 0.00 175.30 177.54 3kc6 n LYS 738 N -2.22 0.85 0.00 3.54 5.02 -1.26 -4.11 118.16 119.98 3kc6 n LYS 738 Ca 0.11 -0.49 0.00 0.00 -2.02 0.00 0.00 58.31 55.91 3kc6 n LYS 738 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 3kc6 n LYS 738 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42