#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lcd n ASN 559 N 0.00 3.56 0.12 1.61 5.15 -1.26 -4.89 115.26 119.56 3lcd n ASN 559 Ca 0.00 1.14 0.13 0.00 -0.60 0.00 0.00 54.58 55.25 3lcd n ASN 559 Cb 0.00 -1.55 0.41 0.00 -0.53 0.00 0.00 39.78 38.11 3lcd n ASN 559 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 3lcd h SER 560 N 4.66 0.00 -3.30 1.20 0.02 -2.15 -3.43 113.55 110.56 3lcd h SER 560 Ca -0.46 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 59.86 3lcd h SER 560 Cb 1.24 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.58 3lcd h SER 560 CO 0.79 0.00 -0.64 -0.31 -1.14 0.00 0.00 176.83 175.53 3lcd s TYR 561 N -3.15 3.08 -0.03 3.45 2.02 -1.26 -5.11 117.35 116.36 3lcd s TYR 561 Ca 0.09 -0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 56.49 3lcd s TYR 561 Cb 0.11 -1.99 0.01 0.00 -0.40 0.00 0.00 41.96 39.69 3lcd s TYR 561 CO 0.57 0.00 0.20 0.95 -1.57 0.00 0.00 175.55 175.71 3lcd s THR 562 N 0.39 0.05 0.42 -0.71 -4.23 -1.26 -5.14 115.64 105.15 3lcd s THR 562 Ca -0.02 -0.45 -0.25 0.00 -1.18 0.00 0.00 61.69 59.79 3lcd s THR 562 Cb -0.14 -0.45 -0.08 0.00 1.34 0.00 0.00 72.50 73.17 3lcd s THR 562 CO 0.02 -0.25 1.23 0.72 -0.54 0.00 0.00 174.62 175.81 3lcd s PHE 563 N -0.95 2.89 -0.35 3.99 -0.71 -1.26 -4.98 117.98 116.61 3lcd s PHE 563 Ca -0.10 1.49 -0.17 0.00 -1.04 0.00 0.00 56.93 57.10 3lcd s PHE 563 Cb -0.05 -3.52 -0.01 0.00 -1.21 0.00 0.00 43.02 38.23 3lcd s PHE 563 CO 0.02 -1.74 0.44 0.42 -1.34 0.00 0.00 175.22 173.02 3lcd s ILE 564 N -1.37 5.09 -0.44 -4.49 1.01 -1.26 -5.03 121.20 114.71 3lcd s ILE 564 Ca 0.59 0.21 -0.29 0.00 0.00 0.00 0.00 60.65 61.16 3lcd s ILE 564 Cb -0.34 -3.90 0.01 0.00 0.01 0.00 0.00 42.46 38.25 3lcd s ILE 564 CO 0.42 -0.16 1.39 -0.62 0.00 0.00 0.00 174.94 175.97 3lcd s ASP 565 N 1.74 6.33 0.62 3.58 3.68 -1.26 -4.91 116.67 126.46 3lcd s ASP 565 Ca 0.16 0.71 0.40 0.00 2.13 0.00 0.00 52.55 55.95 3lcd s ASP 565 Cb -0.16 -2.54 2.02 0.00 -1.45 0.00 0.00 42.92 40.79 3lcd s ASP 565 CO 0.12 -1.46 2.23 -0.65 0.13 0.00 0.00 175.17 175.54 3lcd h PRO 566 N 10.63 0.00 0.00 4.34 0.11 -1.95 -1.29 132.00 143.84 3lcd h PRO 566 Ca -0.27 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 3lcd h PRO 566 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3lcd h PRO 566 CO 1.10 0.00 -0.33 1.79 -0.21 0.00 0.00 178.00 180.35 3lcd h THR 567 N 0.00 0.84 0.00 -1.15 1.35 -1.90 -2.69 112.91 109.35 3lcd h THR 567 Ca -0.00 -1.38 0.00 0.00 -0.55 0.00 0.00 66.41 64.48 3lcd h THR 567 Cb 0.20 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.47 3lcd h THR 567 CO 0.00 0.33 0.00 0.00 -0.25 0.00 0.00 175.52 175.60 3lcd n GLN 568 N -3.55 0.03 -2.76 4.72 6.02 -0.49 -4.86 117.38 116.48 3lcd n GLN 568 Ca -0.00 0.05 -0.38 0.00 -0.01 0.00 0.00 57.00 56.66 3lcd n GLN 568 Cb 0.47 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 30.17 3lcd n GLN 568 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3lcd s LEU 569 N -2.97 4.40 0.86 1.08 1.43 -1.02 -5.03 118.68 117.43 3lcd s LEU 569 Ca 0.14 1.87 -0.10 0.00 -1.03 0.00 0.00 54.13 55.00 3lcd s LEU 569 Cb 0.17 -3.93 0.11 0.00 0.03 0.00 0.00 46.19 42.57 3lcd s LEU 569 CO 0.48 -0.03 1.12 -2.84 0.23 0.00 0.00 176.35 175.31 3lcd s PRO 570 N -1.88 1.53 0.25 1.29 0.02 -1.26 -4.92 135.00 130.04 3lcd s PRO 570 Ca 0.48 1.39 -0.31 0.00 0.02 0.00 0.00 61.00 62.58 3lcd s PRO 570 Cb -0.20 -1.80 -0.12 0.00 0.02 0.00 0.00 34.50 32.39 3lcd s PRO 570 CO 0.26 -2.22 1.58 0.98 -0.33 0.00 0.00 177.00 177.27 3lcd n TYR 571 N -3.94 2.63 -2.97 6.54 9.36 -1.26 -4.95 117.16 122.56 3lcd n TYR 571 Ca 0.11 0.25 -0.41 0.00 3.32 0.00 0.00 57.90 61.16 3lcd n TYR 571 Cb 0.52 -2.58 -0.05 0.00 -0.63 0.00 0.00 39.34 36.61 3lcd n TYR 571 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 3lcd s ASN 572 N 0.64 6.79 0.19 2.98 3.04 -1.26 -4.95 114.94 122.37 3lcd s ASN 572 Ca 0.69 0.97 0.22 0.00 0.04 0.00 0.00 52.86 54.78 3lcd s ASN 572 Cb -0.55 -2.41 0.90 0.00 -1.54 0.00 0.00 41.25 37.66 3lcd s ASN 572 CO 0.44 -0.41 1.68 1.21 -3.04 0.00 0.00 177.10 176.98 3lcd n GLU 573 N 5.57 0.16 0.29 0.43 4.07 -1.26 -2.71 120.64 127.19 3lcd n GLU 573 Ca 0.03 0.35 0.17 0.00 -0.06 0.00 0.00 57.16 57.64 3lcd n GLU 573 Cb 0.48 -1.78 0.85 0.00 -0.06 0.00 0.00 31.44 30.94 3lcd n GLU 573 CO 0.00 0.00 0.00 1.57 -0.06 0.00 0.00 177.13 178.64 3lcd h LYS 574 N 0.00 0.00 0.00 5.31 2.10 -2.03 -1.77 116.57 120.18 3lcd h LYS 574 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3lcd h LYS 574 Cb 0.39 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.72 3lcd h LYS 574 CO 0.00 0.06 -0.05 -1.49 -2.00 0.00 0.00 179.45 175.96 3lcd h TRP 575 N 0.00 0.00 -3.36 0.07 4.06 -1.89 -3.47 115.95 111.36 3lcd h TRP 575 Ca -0.00 0.00 -0.54 0.00 2.06 0.00 0.00 58.89 60.41 3lcd h TRP 575 Cb 0.28 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 28.53 3lcd h TRP 575 CO 0.00 0.00 0.85 -1.91 -3.56 0.00 0.00 178.44 173.82 3lcd n GLU 576 N -2.40 2.67 -3.84 0.49 4.07 -0.67 -0.88 120.64 120.09 3lcd n GLU 576 Ca 0.05 0.95 -0.13 0.00 -0.06 0.00 0.00 57.16 57.97 3lcd n GLU 576 Cb 0.45 -2.72 -0.15 0.00 -0.06 0.00 0.00 31.44 28.97 3lcd n GLU 576 CO 0.00 0.00 0.00 0.12 -0.06 0.00 0.00 177.13 177.19 3lcd s PHE 577 N -0.18 -0.00 0.23 4.31 5.36 -0.03 -4.83 117.98 122.83 3lcd s PHE 577 Ca 0.62 0.07 -0.30 0.00 -0.96 0.00 0.00 56.93 56.37 3lcd s PHE 577 Cb -0.50 -0.07 -0.09 0.00 -0.34 0.00 0.00 43.02 42.02 3lcd s PHE 577 CO 0.51 -0.03 1.30 -2.14 -1.46 0.00 0.00 175.22 173.40 3lcd s PRO 578 N 0.35 4.39 0.54 10.12 0.02 -1.26 -4.43 135.00 144.74 3lcd s PRO 578 Ca -0.03 2.08 0.32 0.00 0.02 0.00 0.00 61.00 63.40 3lcd s PRO 578 Cb -0.04 -3.16 1.41 0.00 0.02 0.00 0.00 34.50 32.72 3lcd s PRO 578 CO -0.01 -0.21 2.01 0.07 -0.33 0.00 0.00 177.00 178.52 3lcd h ARG 579 N 4.84 0.00 -0.05 5.54 0.11 -1.93 -1.98 114.38 120.92 3lcd h ARG 579 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3lcd h ARG 579 Cb 1.22 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.30 3lcd h ARG 579 CO 0.74 0.06 0.00 0.27 0.10 0.00 0.00 179.97 181.14 3lcd n ASN 580 N -3.22 0.41 -2.04 0.08 6.94 -1.26 -2.32 115.26 113.85 3lcd n ASN 580 Ca -0.00 -1.55 -0.09 0.00 -0.02 0.00 0.00 54.58 52.92 3lcd n ASN 580 Cb 0.30 -0.03 0.28 0.00 -2.36 0.00 0.00 39.78 37.97 3lcd n ASN 580 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3lcd n ASN 581 N -0.48 4.67 -3.80 0.53 4.13 -0.74 -4.97 115.26 114.60 3lcd n ASN 581 Ca 0.13 -3.26 -0.14 0.00 1.68 0.00 0.00 54.58 53.00 3lcd n ASN 581 Cb 0.12 -0.76 -0.15 0.00 -1.54 0.00 0.00 39.78 37.45 3lcd n ASN 581 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 3lcd s LEU 582 N -2.98 1.33 -0.16 3.41 2.96 -0.98 -0.90 118.68 121.37 3lcd s LEU 582 Ca 0.55 0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 54.53 3lcd s LEU 582 Cb 0.44 0.05 0.04 0.00 0.50 0.00 0.00 46.19 47.22 3lcd s LEU 582 CO 0.13 -0.09 -0.03 -1.58 -1.32 0.00 0.00 176.35 173.46 3lcd s GLN 583 N 0.70 1.23 0.26 1.98 0.74 -0.39 -4.97 119.66 119.21 3lcd s GLN 583 Ca -0.06 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.64 3lcd s GLN 583 Cb -0.08 -1.88 -0.09 0.00 1.10 0.00 0.00 33.01 32.05 3lcd s GLN 583 CO -0.02 -0.44 0.97 -0.06 -0.55 0.00 0.00 175.29 175.19 3lcd s PHE 584 N 1.71 3.85 0.00 1.67 0.40 -1.26 -1.28 117.98 123.06 3lcd s PHE 584 Ca 0.01 1.85 0.00 0.00 -0.60 0.00 0.00 56.93 58.19 3lcd s PHE 584 Cb -0.15 -3.04 0.00 0.00 0.51 0.00 0.00 43.02 40.34 3lcd s PHE 584 CO -0.07 0.20 0.00 0.41 0.70 0.00 0.00 175.22 176.46 3lcd n GLY 585 N 1.28 3.74 3.89 4.36 0.00 0.23 -4.95 105.19 113.74 3lcd n GLY 585 Ca -0.01 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.75 3lcd n GLY 585 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lcd s LYS 586 N 4.60 3.63 0.06 1.61 -2.85 -1.26 -4.63 119.74 120.92 3lcd s LYS 586 Ca 0.00 0.31 -0.30 0.00 -1.00 0.00 0.00 55.97 54.98 3lcd s LYS 586 Cb 0.00 -2.38 -0.05 0.00 -2.06 0.00 0.00 37.83 33.34 3lcd s LYS 586 CO 0.00 -0.14 1.17 0.99 0.10 0.00 0.00 175.35 177.47 3lcd s THR 587 N -2.60 4.10 -0.13 3.79 2.01 -1.26 -1.00 115.64 120.55 3lcd s THR 587 Ca 0.49 1.52 -0.06 0.00 0.31 0.00 0.00 61.69 63.95 3lcd s THR 587 Cb -0.10 -3.98 -0.26 0.00 0.01 0.00 0.00 72.50 68.17 3lcd s THR 587 CO 0.40 0.13 0.33 0.18 -0.69 0.00 0.00 174.62 174.97 3lcd n LEU 588 N 3.83 2.66 -3.51 4.42 4.77 0.87 -4.90 117.00 125.14 3lcd n LEU 588 Ca 0.08 0.19 -0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3lcd n LEU 588 Cb 0.47 -1.11 -0.04 0.00 -2.33 0.00 0.00 43.42 40.40 3lcd n LEU 588 CO 0.55 0.86 0.55 -0.83 -1.33 0.00 0.00 177.39 177.19 3lcd s GLY 589 N -5.64 -0.50 0.27 -0.72 0.00 -1.00 -5.00 107.32 94.73 3lcd s GLY 589 Ca -0.23 1.26 -0.02 0.00 0.00 0.00 0.00 44.72 45.73 3lcd s GLY 589 CO 0.76 0.71 0.31 0.00 0.00 0.00 0.00 173.10 174.88 3lcd s ALA 590 N -2.01 0.91 0.00 3.20 0.00 -1.26 -0.28 121.76 122.31 3lcd s ALA 590 Ca -0.04 -1.56 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3lcd s ALA 590 Cb -0.00 1.29 0.00 0.00 0.00 0.00 0.00 23.12 24.40 3lcd s ALA 590 CO 0.00 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.47 3lcd n GLY 591 N -0.42 3.32 0.08 0.00 0.00 -0.54 -4.97 105.19 102.66 3lcd n GLY 591 Ca 0.02 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.68 3lcd n GLY 591 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lcd n ALA 592 N -3.00 1.85 -0.10 4.61 0.00 -1.26 -4.39 120.51 118.22 3lcd n ALA 592 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 53.44 52.55 3lcd n ALA 592 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 3lcd n ALA 592 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3lcd h PHE 593 N 0.00 0.73 0.00 0.00 -0.00 -1.97 -3.45 116.94 112.25 3lcd h PHE 593 Ca -0.26 -0.19 0.00 0.00 -0.00 0.00 0.00 57.97 57.52 3lcd h PHE 593 Cb 1.75 -0.17 0.00 0.00 -0.00 0.00 0.00 35.95 37.54 3lcd h PHE 593 CO 0.00 0.88 0.00 0.41 -0.00 0.00 0.00 178.31 179.60 3lcd n GLY 594 N 0.01 -0.70 3.51 6.09 0.00 -1.26 -2.61 105.19 110.23 3lcd n GLY 594 Ca -0.03 0.05 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3lcd n GLY 594 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3lcd s LYS 595 N -0.33 1.38 -0.15 1.61 -2.85 -0.53 -1.46 119.74 117.41 3lcd s LYS 595 Ca 0.00 -0.61 0.01 0.00 -1.00 0.00 0.00 55.97 54.37 3lcd s LYS 595 Cb 0.00 0.58 0.00 0.00 -2.06 0.00 0.00 37.83 36.36 3lcd s LYS 595 CO 0.00 -0.61 -0.18 0.08 0.10 0.00 0.00 175.35 174.74 3lcd s VAL 596 N -3.80 2.42 0.24 1.79 1.01 0.61 -1.92 120.40 120.75 3lcd s VAL 596 Ca 0.04 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.26 3lcd s VAL 596 Cb -0.02 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 3lcd s VAL 596 CO -0.08 0.53 -0.08 0.68 0.00 0.00 0.00 175.10 176.15 3lcd s VAL 597 N 0.83 3.13 0.21 2.92 -7.23 -0.28 -0.09 120.40 119.88 3lcd s VAL 597 Ca -0.06 -1.96 -0.23 0.00 -1.81 0.00 0.00 61.98 57.92 3lcd s VAL 597 Cb -0.15 -2.63 -0.08 0.00 0.56 0.00 0.00 36.38 34.07 3lcd s VAL 597 CO -0.01 -0.30 0.77 -0.70 -0.31 0.00 0.00 175.10 174.55 3lcd s GLU 598 N -3.39 4.44 0.06 4.82 2.12 -0.17 -0.88 118.70 125.70 3lcd s GLU 598 Ca 0.29 1.06 -0.06 0.00 0.36 0.00 0.00 54.97 56.62 3lcd s GLU 598 Cb -0.07 -3.04 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 3lcd s GLU 598 CO 0.17 0.46 0.12 0.00 -0.54 0.00 0.00 175.26 175.47 3lcd s ALA 599 N -1.36 -0.04 -0.20 6.30 0.00 -0.14 0.76 121.76 127.08 3lcd s ALA 599 Ca 0.40 -0.68 -0.11 0.00 0.00 0.00 0.00 51.96 51.57 3lcd s ALA 599 Cb -0.20 0.34 -0.05 0.00 0.00 0.00 0.00 23.12 23.22 3lcd s ALA 599 CO 0.24 -0.40 0.17 0.99 0.00 0.00 0.00 175.76 176.75 3lcd s THR 600 N -3.33 5.38 -0.11 0.00 2.01 -0.41 -0.20 115.64 118.98 3lcd s THR 600 Ca 0.01 0.27 -0.02 0.00 0.31 0.00 0.00 61.69 62.25 3lcd s THR 600 Cb 0.03 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 69.00 3lcd s THR 600 CO -0.08 0.42 -0.02 0.00 -0.69 0.00 0.00 174.62 174.25 3lcd s ALA 601 N 0.48 3.14 -0.25 7.40 0.00 0.14 -1.27 121.76 131.40 3lcd s ALA 601 Ca 0.10 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 51.18 3lcd s ALA 601 Cb -0.12 -1.49 -0.01 0.00 0.00 0.00 0.00 23.12 21.50 3lcd s ALA 601 CO -0.00 0.42 0.02 -0.06 0.00 0.00 0.00 175.76 176.15 3lcd s PHE 602 N -0.34 3.05 -0.64 0.00 0.40 -0.08 -1.48 117.98 118.89 3lcd s PHE 602 Ca 0.06 -0.81 -0.03 0.00 -0.60 0.00 0.00 56.93 55.55 3lcd s PHE 602 Cb -0.12 -2.18 0.00 0.00 0.51 0.00 0.00 43.02 41.23 3lcd s PHE 602 CO 0.02 -0.50 0.44 0.41 0.70 0.00 0.00 175.22 176.29 3lcd n GLY 603 N 4.85 0.24 3.60 4.36 0.00 0.52 -4.86 105.19 113.91 3lcd n GLY 603 Ca -0.17 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 3lcd n GLY 603 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3lcd s LEU 604 N -3.63 4.13 0.00 0.99 2.96 -1.26 -4.92 118.68 116.94 3lcd s LEU 604 Ca 0.22 0.50 0.00 0.00 -0.22 0.00 0.00 54.13 54.63 3lcd s LEU 604 Cb -0.10 -2.89 0.00 0.00 0.50 0.00 0.00 46.19 43.70 3lcd s LEU 604 CO 0.27 -0.51 0.00 0.61 -1.32 0.00 0.00 176.35 175.40 3lcd n GLY 605 N 4.35 1.55 1.34 7.98 0.00 -1.26 -2.61 105.19 116.54 3lcd n GLY 605 Ca 0.00 -0.61 0.12 0.00 0.00 0.00 0.00 46.02 45.53 3lcd n GLY 605 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3lcd n LYS 606 N 6.78 2.68 -0.42 1.61 5.02 -1.26 -5.00 118.16 127.57 3lcd n LYS 606 Ca 0.00 -2.61 -0.09 0.00 -2.02 0.00 0.00 58.31 53.59 3lcd n LYS 606 Cb 0.00 -1.56 0.07 0.00 -0.02 0.00 0.00 35.03 33.52 3lcd n LYS 606 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3lcd n GLU 607 N 1.64 -1.17 -1.66 1.97 1.02 -1.07 -4.94 120.64 116.43 3lcd n GLU 607 Ca 0.24 -0.57 -0.45 0.00 -0.02 0.00 0.00 57.16 56.37 3lcd n GLU 607 Cb 0.62 -0.46 -0.02 0.00 -0.02 0.00 0.00 31.44 31.55 3lcd n GLU 607 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3lcd n ASP 608 N -3.45 2.44 -0.29 1.62 10.43 -1.26 -4.82 116.55 121.22 3lcd n ASP 608 Ca 0.05 1.16 0.11 0.00 2.57 0.00 0.00 54.79 58.68 3lcd n ASP 608 Cb 0.18 -1.40 0.34 0.00 1.84 0.00 0.00 41.12 42.08 3lcd n ASP 608 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3lcd h ALA 609 N 3.44 1.75 -3.14 2.24 0.00 -1.92 -3.35 119.26 118.29 3lcd h ALA 609 Ca -0.44 0.02 -0.66 0.00 0.00 0.00 0.00 54.91 53.82 3lcd h ALA 609 Cb 1.29 -0.15 -0.29 0.00 0.00 0.00 0.00 17.79 18.65 3lcd h ALA 609 CO 0.70 0.01 -0.77 0.08 0.00 0.00 0.00 179.25 179.28 3lcd s VAL 610 N -5.75 3.00 -0.04 0.00 1.01 -1.26 -0.35 120.40 117.00 3lcd s VAL 610 Ca -0.10 -0.65 -0.02 0.00 0.00 0.00 0.00 61.98 61.21 3lcd s VAL 610 Cb 0.22 -2.30 0.03 0.00 0.00 0.00 0.00 36.38 34.33 3lcd s VAL 610 CO 0.79 0.49 0.07 -0.22 0.00 0.00 0.00 175.10 176.23 3lcd s LEU 611 N 0.98 0.44 -0.05 3.92 1.98 -0.55 -4.98 118.68 120.42 3lcd s LEU 611 Ca -0.01 0.13 -0.30 0.00 -2.89 0.00 0.00 54.13 51.06 3lcd s LEU 611 Cb -0.15 -0.00 -0.03 0.00 0.66 0.00 0.00 46.19 46.67 3lcd s LEU 611 CO -0.01 -0.20 1.08 -0.75 -1.89 0.00 0.00 176.35 174.58 3lcd s LYS 612 N 1.76 4.43 0.29 1.98 2.20 -1.26 0.26 119.74 129.40 3lcd s LYS 612 Ca -0.01 1.52 0.03 0.00 -0.36 0.00 0.00 55.97 57.15 3lcd s LYS 612 Cb -0.12 -3.51 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 3lcd s LYS 612 CO -0.04 -0.30 0.14 0.14 -0.36 0.00 0.00 175.35 174.93 3lcd s VAL 613 N 1.77 0.42 -0.02 4.02 -7.23 0.73 -4.11 120.40 115.97 3lcd s VAL 613 Ca 0.52 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.77 3lcd s VAL 613 Cb -0.22 -2.55 -0.02 0.00 0.56 0.00 0.00 36.38 34.15 3lcd s VAL 613 CO 0.22 0.00 -0.25 0.00 -0.31 0.00 0.00 175.10 174.76 3lcd s ALA 614 N -3.64 2.20 -0.06 1.32 0.00 -0.56 -0.97 121.76 120.06 3lcd s ALA 614 Ca 0.36 -1.11 0.01 0.00 0.00 0.00 0.00 51.96 51.22 3lcd s ALA 614 Cb 0.06 -0.59 0.02 0.00 0.00 0.00 0.00 23.12 22.61 3lcd s ALA 614 CO 0.16 0.53 -0.07 0.08 0.00 0.00 0.00 175.76 176.46 3lcd s VAL 615 N -0.61 0.72 -0.12 0.00 1.01 -0.06 -0.23 120.40 121.12 3lcd s VAL 615 Ca 0.10 -0.22 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 3lcd s VAL 615 Cb -0.10 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.52 3lcd s VAL 615 CO -0.01 0.27 0.03 -0.75 0.00 0.00 0.00 175.10 174.65 3lcd s LYS 616 N 0.94 3.31 0.03 2.72 2.20 0.50 -1.13 119.74 128.31 3lcd s LYS 616 Ca -0.10 -0.36 -0.16 0.00 -0.36 0.00 0.00 55.97 55.00 3lcd s LYS 616 Cb -0.15 -2.95 0.03 0.00 -1.51 0.00 0.00 37.83 33.25 3lcd s LYS 616 CO 0.00 0.60 0.34 0.00 -0.36 0.00 0.00 175.35 175.93 3lcd s MET 617 N -0.57 0.81 0.28 4.03 0.23 -0.81 -1.36 119.30 121.90 3lcd s MET 617 Ca 0.10 -0.37 -0.12 0.00 -1.03 0.00 0.00 55.69 54.27 3lcd s MET 617 Cb -0.12 0.35 -0.08 0.00 -1.53 0.00 0.00 34.83 33.46 3lcd s MET 617 CO 0.02 -0.26 0.64 -0.51 -2.03 0.00 0.00 175.02 172.89 3lcd s LEU 618 N -1.84 4.11 0.47 0.18 1.43 -1.26 -1.45 118.68 120.32 3lcd s LEU 618 Ca -0.07 1.10 -0.24 0.00 -1.03 0.00 0.00 54.13 53.89 3lcd s LEU 618 Cb -0.02 -3.88 -0.07 0.00 0.03 0.00 0.00 46.19 42.25 3lcd s LEU 618 CO -0.01 -0.14 1.29 -1.59 0.23 0.00 0.00 176.35 176.13 3lcd s LYS 619 N -2.91 3.62 0.63 1.70 0.00 -1.07 -4.87 119.74 116.84 3lcd s LYS 619 Ca 0.51 2.09 0.31 0.00 0.00 0.00 0.00 55.97 58.87 3lcd s LYS 619 Cb -0.11 -2.49 1.67 0.00 0.00 0.00 0.00 37.83 36.90 3lcd s LYS 619 CO 0.19 -0.75 1.99 0.66 0.00 0.00 0.00 175.35 177.44 3lcd h SER 620 N 2.08 0.00 0.06 0.03 4.64 -1.97 -0.45 113.55 117.94 3lcd h SER 620 Ca -0.50 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 3lcd h SER 620 Cb 1.26 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3lcd h SER 620 CO 0.60 0.00 -0.02 0.74 -0.87 0.00 0.00 176.83 177.28 3lcd h THR 621 N 0.00 0.58 -2.87 2.95 2.02 -1.96 -3.46 112.91 110.18 3lcd h THR 621 Ca 0.07 -0.10 -0.59 0.00 0.77 0.00 0.00 66.41 66.56 3lcd h THR 621 Cb 0.70 1.06 0.13 0.00 -1.74 0.00 0.00 68.15 68.30 3lcd h THR 621 CO -0.00 0.02 0.06 0.00 0.37 0.00 0.00 175.52 175.97 3lcd n ALA 622 N -2.34 -0.16 -2.01 6.16 0.00 -0.18 -5.01 120.51 116.96 3lcd n ALA 622 Ca -0.03 0.23 -0.22 0.00 0.00 0.00 0.00 53.44 53.42 3lcd n ALA 622 Cb 0.11 -2.02 0.10 0.00 0.00 0.00 0.00 19.45 17.64 3lcd n ALA 622 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 3lcd s HIS 623 N -1.28 1.28 0.25 0.00 3.76 -1.26 -4.92 115.29 113.12 3lcd s HIS 623 Ca 0.63 -0.52 -0.03 0.00 -0.15 0.00 0.00 55.06 54.99 3lcd s HIS 623 Cb -0.58 -2.69 0.43 0.00 1.11 0.00 0.00 32.58 30.85 3lcd s HIS 623 CO 0.57 -1.62 1.80 0.00 -0.85 0.00 0.00 174.74 174.65 3lcd h ALA 624 N -0.33 1.22 -0.56 -1.40 0.00 -2.00 -2.51 119.26 113.68 3lcd h ALA 624 Ca -0.32 0.04 0.11 0.00 0.00 0.00 0.00 54.91 54.74 3lcd h ALA 624 Cb 1.27 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 3lcd h ALA 624 CO 0.39 0.08 -0.19 -0.44 0.00 0.00 0.00 179.25 179.09 3lcd h ASP 625 N 0.78 -0.66 0.55 0.00 5.19 -2.00 -2.07 116.42 118.20 3lcd h ASP 625 Ca 0.41 0.18 -0.29 0.00 -0.62 0.00 0.00 57.03 56.72 3lcd h ASP 625 Cb 0.42 0.40 -0.00 0.00 0.18 0.00 0.00 39.33 40.33 3lcd h ASP 625 CO -0.27 -0.22 -1.39 -0.33 -3.12 0.00 0.00 179.24 173.92 3lcd h GLU 626 N -0.05 0.26 -0.90 3.56 5.08 -1.87 -2.46 114.58 118.20 3lcd h GLU 626 Ca 0.27 -0.44 0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3lcd h GLU 626 Cb 0.46 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.82 3lcd h GLU 626 CO -0.61 1.16 0.58 0.87 -1.00 0.00 0.00 179.01 180.02 3lcd h LYS 627 N 0.07 1.11 -0.14 2.33 1.57 -1.36 -1.80 116.57 118.35 3lcd h LYS 627 Ca -0.19 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.41 3lcd h LYS 627 Cb 1.99 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 34.04 3lcd h LYS 627 CO 0.18 0.73 -0.41 1.49 -0.57 0.00 0.00 179.45 180.87 3lcd h GLU 628 N 1.14 0.32 -0.15 3.15 4.81 -1.27 -2.17 114.58 120.40 3lcd h GLU 628 Ca 0.35 -0.15 -0.10 0.00 -0.13 0.00 0.00 59.36 59.33 3lcd h GLU 628 Cb -0.01 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 3lcd h GLU 628 CO -0.11 0.68 -0.36 0.00 -0.73 0.00 0.00 179.01 178.49 3lcd h ALA 629 N 1.30 1.11 -0.05 2.92 0.00 -0.96 -1.07 119.26 122.51 3lcd h ALA 629 Ca 0.02 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 3lcd h ALA 629 Cb 0.84 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3lcd h ALA 629 CO 0.07 0.57 -0.68 1.25 0.00 0.00 0.00 179.25 180.46 3lcd h LEU 630 N 0.27 0.28 -0.41 0.00 5.85 -1.07 -1.89 115.31 118.34 3lcd h LEU 630 Ca 0.03 -0.18 -0.13 0.00 0.84 0.00 0.00 57.88 58.44 3lcd h LEU 630 Cb 0.77 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 3lcd h LEU 630 CO 0.06 0.88 -0.26 0.24 -0.34 0.00 0.00 178.44 179.01 3lcd h MET 631 N 0.17 0.90 -0.34 1.25 2.86 -1.15 -1.46 114.93 117.15 3lcd h MET 631 Ca -0.02 -0.42 0.01 0.00 -2.06 0.00 0.00 59.70 57.21 3lcd h MET 631 Cb 1.22 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.85 3lcd h MET 631 CO 0.11 1.07 0.22 0.77 1.06 0.00 0.00 176.91 180.13 3lcd h SER 632 N 0.72 0.37 -0.41 1.22 0.02 -1.15 0.99 113.55 115.31 3lcd h SER 632 Ca 0.08 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.10 3lcd h SER 632 Cb 0.84 -0.09 -0.06 0.00 0.14 0.00 0.00 62.40 63.23 3lcd h SER 632 CO 0.07 0.27 0.04 -0.08 -1.14 0.00 0.00 176.83 175.99 3lcd h GLU 633 N 0.44 0.15 -0.57 3.45 4.81 -1.31 0.74 114.58 122.29 3lcd h GLU 633 Ca 0.13 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.38 3lcd h GLU 633 Cb -0.04 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.27 3lcd h GLU 633 CO -0.04 0.10 0.33 1.25 -0.73 0.00 0.00 179.01 179.92 3lcd h LEU 634 N 0.15 0.52 -0.31 1.64 6.46 -0.57 -1.12 115.31 122.09 3lcd h LEU 634 Ca 0.20 0.01 -0.07 0.00 -0.12 0.00 0.00 57.88 57.91 3lcd h LEU 634 Cb 0.27 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 3lcd h LEU 634 CO -0.30 0.36 -0.08 0.11 -0.62 0.00 0.00 178.44 177.90 3lcd h LYS 635 N 0.65 0.60 0.00 1.25 1.57 -0.25 -0.37 116.57 120.01 3lcd h LYS 635 Ca 0.24 -0.23 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3lcd h LYS 635 Cb 0.07 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3lcd h LYS 635 CO -0.12 0.79 -0.15 0.82 -0.57 0.00 0.00 179.45 180.22 3lcd h ILE 636 N 0.37 0.64 -0.28 1.86 2.04 -0.71 -2.79 117.51 118.64 3lcd h ILE 636 Ca 0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.92 3lcd h ILE 636 Cb 0.57 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3lcd h ILE 636 CO 0.03 0.00 0.10 0.24 0.00 0.00 0.00 178.15 178.52 3lcd h MET 637 N -0.24 0.39 0.00 2.37 2.86 -0.98 -2.65 114.93 116.67 3lcd h MET 637 Ca 0.05 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.60 3lcd h MET 637 Cb 0.31 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3lcd h MET 637 CO -0.14 0.33 -0.19 0.66 1.06 0.00 0.00 176.91 178.63 3lcd h SER 638 N 0.39 0.00 0.97 1.22 4.64 -0.85 -3.21 113.55 116.72 3lcd h SER 638 Ca 0.10 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.29 3lcd h SER 638 Cb 0.10 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 3lcd h SER 638 CO -0.01 0.19 -1.09 -0.74 -0.87 0.00 0.00 176.83 174.31 3lcd h HIS 639 N 0.00 0.00 -0.82 4.77 6.17 -1.22 -3.38 115.15 120.68 3lcd h HIS 639 Ca -0.00 0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.17 3lcd h HIS 639 Cb 0.97 0.00 -0.07 0.00 2.52 0.00 0.00 27.41 30.83 3lcd h HIS 639 CO 0.00 0.46 0.47 -0.07 0.71 0.00 0.00 177.93 179.51 3lcd h LEU 640 N 0.00 0.69 0.00 0.26 3.38 -1.51 -3.49 115.31 114.64 3lcd h LEU 640 Ca -0.10 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3lcd h LEU 640 Cb 1.44 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.10 3lcd h LEU 640 CO 0.04 0.40 0.00 0.61 0.09 0.00 0.00 178.44 179.59 3lcd n GLY 641 N -1.32 -1.26 3.85 0.83 0.00 -1.26 -4.99 105.19 101.05 3lcd n GLY 641 Ca 0.13 -1.60 -0.34 0.00 0.00 0.00 0.00 46.02 44.22 3lcd n GLY 641 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3lcd s GLN 642 N -1.54 3.95 0.04 1.61 1.11 -1.26 -4.98 119.66 118.60 3lcd s GLN 642 Ca 0.00 0.49 -0.04 0.00 0.01 0.00 0.00 55.36 55.82 3lcd s GLN 642 Cb 0.00 -2.75 -0.02 0.00 -1.01 0.00 0.00 33.01 29.24 3lcd s GLN 642 CO 0.00 0.36 0.06 -1.58 0.01 0.00 0.00 175.29 174.14 3lcd s HIS 643 N -1.68 0.26 0.08 0.91 2.46 -1.26 -5.06 115.29 111.01 3lcd s HIS 643 Ca 0.44 -0.61 0.31 0.00 0.47 0.00 0.00 55.06 55.67 3lcd s HIS 643 Cb -0.13 -0.19 1.20 0.00 -0.13 0.00 0.00 32.58 33.33 3lcd s HIS 643 CO 0.20 -0.35 1.92 1.05 -2.47 0.00 0.00 174.74 175.09 3lcd h GLU 644 N 3.67 0.00 -0.21 2.88 4.11 -1.98 -3.16 114.58 119.90 3lcd h GLU 644 Ca -0.33 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.02 3lcd h GLU 644 Cb 1.18 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 3lcd h GLU 644 CO 0.52 0.06 -0.16 0.09 0.07 0.00 0.00 179.01 179.58 3lcd n ASN 645 N -3.17 2.47 -4.25 3.06 5.03 -1.26 -4.82 115.26 112.32 3lcd n ASN 645 Ca 0.01 -3.62 -0.23 0.00 0.87 0.00 0.00 54.58 51.61 3lcd n ASN 645 Cb 0.35 -0.57 -0.13 0.00 -1.02 0.00 0.00 39.78 38.41 3lcd n ASN 645 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3lcd s ILE 646 N -3.14 1.57 -0.88 2.41 -1.09 -1.19 -1.06 121.20 117.81 3lcd s ILE 646 Ca 0.41 -1.37 -0.25 0.00 -2.23 0.00 0.00 60.65 57.21 3lcd s ILE 646 Cb 0.37 -1.42 0.04 0.00 -1.58 0.00 0.00 42.46 39.87 3lcd s ILE 646 CO -0.00 -0.00 1.38 -0.69 -1.23 0.00 0.00 174.94 174.40 3lcd s VAL 647 N -1.04 3.82 0.62 2.92 1.01 -0.65 -4.76 120.40 122.32 3lcd s VAL 647 Ca 0.05 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.67 3lcd s VAL 647 Cb -0.09 -4.97 -0.02 0.00 0.00 0.00 0.00 36.38 31.29 3lcd s VAL 647 CO 0.03 -1.88 1.11 0.20 0.00 0.00 0.00 175.10 174.56 3lcd s ASN 648 N 4.46 5.31 0.00 3.32 0.01 -1.26 -4.77 114.94 122.02 3lcd s ASN 648 Ca 0.41 2.03 -0.29 0.00 -0.71 0.00 0.00 52.86 54.30 3lcd s ASN 648 Cb -0.04 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 3lcd s ASN 648 CO 0.02 -1.49 0.95 -0.22 -1.51 0.00 0.00 177.10 174.85 3lcd s LEU 649 N -4.57 4.38 -0.13 0.60 2.96 -1.26 -1.79 118.68 118.86 3lcd s LEU 649 Ca 0.68 1.63 0.17 0.00 -0.22 0.00 0.00 54.13 56.38 3lcd s LEU 649 Cb -0.21 -3.52 -0.24 0.00 0.50 0.00 0.00 46.19 42.72 3lcd s LEU 649 CO 0.37 -0.23 0.16 0.18 -1.32 0.00 0.00 176.35 175.51 3lcd n LEU 650 N 3.77 0.00 0.00 -0.68 4.77 0.40 -4.93 117.00 120.34 3lcd n LEU 650 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3lcd n LEU 650 Cb 0.51 0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.92 3lcd n LEU 650 CO 0.51 0.32 0.00 0.61 -1.33 0.00 0.00 177.39 177.50 3lcd n GLY 651 N 1.78 -0.90 3.63 -0.72 0.00 -1.13 -4.92 105.19 102.93 3lcd n GLY 651 Ca -0.22 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.81 3lcd n GLY 651 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lcd s ALA 652 N -1.00 -1.00 -0.24 4.61 0.00 -0.06 -1.54 121.76 122.52 3lcd s ALA 652 Ca 0.00 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.70 3lcd s ALA 652 Cb 0.00 0.89 0.06 0.00 0.00 0.00 0.00 23.12 24.07 3lcd s ALA 652 CO 0.00 -0.88 -0.03 0.00 0.00 0.00 0.00 175.76 174.84 3lcd n THR 654 N 4.67 0.00 -4.10 0.00 -2.24 -1.26 -1.61 114.28 109.74 3lcd n THR 654 Ca -0.10 -0.29 -0.27 0.00 -2.27 0.00 0.00 64.05 61.12 3lcd n THR 654 Cb 0.44 0.77 -0.06 0.00 -2.10 0.00 0.00 70.33 69.38 3lcd n THR 654 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3lcd s HIS 655 N -1.68 3.09 -0.24 4.78 3.76 -1.26 -4.67 115.29 119.08 3lcd s HIS 655 Ca 0.00 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.88 3lcd s HIS 655 Cb 0.02 -1.49 0.00 0.00 1.11 0.00 0.00 32.58 32.22 3lcd s HIS 655 CO 0.14 0.52 0.00 0.41 -0.85 0.00 0.00 174.74 174.96 3lcd n GLY 656 N -0.24 0.49 0.00 -2.22 0.00 -1.26 -4.89 105.19 97.07 3lcd n GLY 656 Ca -0.09 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.77 3lcd n GLY 656 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lcd n GLY 657 N -1.47 -1.38 3.71 -0.02 0.00 -1.26 -5.12 105.19 99.66 3lcd n GLY 657 Ca -0.02 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.63 3lcd n GLY 657 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3lcd s PRO 658 N -1.25 1.45 0.08 1.61 0.02 -1.26 -4.83 135.00 130.81 3lcd s PRO 658 Ca 0.00 1.07 -0.31 0.00 0.02 0.00 0.00 61.00 61.78 3lcd s PRO 658 Cb 0.00 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.64 3lcd s PRO 658 CO 0.00 -2.18 1.39 0.08 -0.33 0.00 0.00 177.00 175.96 3lcd s VAL 659 N -2.85 3.47 -0.07 3.83 1.01 -1.26 -4.71 120.40 119.82 3lcd s VAL 659 Ca 0.63 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.66 3lcd s VAL 659 Cb -0.19 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.53 3lcd s VAL 659 CO 0.57 0.05 -0.19 -0.76 0.00 0.00 0.00 175.10 174.77 3lcd s LEU 660 N 1.53 2.40 -0.22 3.92 1.43 -0.63 -4.43 118.68 122.69 3lcd s LEU 660 Ca 0.64 -0.38 -0.02 0.00 -1.03 0.00 0.00 54.13 53.34 3lcd s LEU 660 Cb -0.35 -1.48 0.00 0.00 0.03 0.00 0.00 46.19 44.40 3lcd s LEU 660 CO 0.29 0.25 -0.08 -0.69 0.23 0.00 0.00 176.35 176.36 3lcd s VAL 661 N -0.20 2.99 -0.19 -1.59 1.01 -0.47 -0.98 120.40 120.98 3lcd s VAL 661 Ca -0.01 -0.68 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 3lcd s VAL 661 Cb -0.13 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.83 3lcd s VAL 661 CO 0.03 0.41 0.09 -0.63 0.00 0.00 0.00 175.10 175.00 3lcd s ILE 662 N 1.41 5.00 0.21 2.22 1.01 -0.59 -0.37 121.20 130.09 3lcd s ILE 662 Ca 0.05 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.74 3lcd s ILE 662 Cb -0.14 -3.27 -0.05 0.00 0.01 0.00 0.00 42.46 39.01 3lcd s ILE 662 CO -0.06 0.44 0.07 0.42 0.00 0.00 0.00 174.94 175.82 3lcd s THR 663 N 0.44 0.41 0.29 2.92 -4.23 0.68 -0.45 115.64 115.70 3lcd s THR 663 Ca 0.05 -1.98 -0.30 0.00 -1.18 0.00 0.00 61.69 58.28 3lcd s THR 663 Cb -0.12 -2.39 -0.13 0.00 1.34 0.00 0.00 72.50 71.20 3lcd s THR 663 CO -0.00 -0.19 1.36 -0.62 -0.54 0.00 0.00 174.62 174.64 3lcd n GLU 664 N -0.31 2.13 -3.11 3.99 1.02 -0.74 -1.49 120.64 122.12 3lcd n GLU 664 Ca -0.02 0.75 -0.40 0.00 -0.02 0.00 0.00 57.16 57.48 3lcd n GLU 664 Cb 0.65 -2.38 -0.05 0.00 -0.02 0.00 0.00 31.44 29.63 3lcd n GLU 664 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 3lcd s TYR 665 N -0.56 3.45 -0.40 -0.32 5.04 -1.26 -4.44 117.35 118.86 3lcd s TYR 665 Ca 0.62 1.03 -0.08 0.00 -2.44 0.00 0.00 57.07 56.19 3lcd s TYR 665 Cb -0.60 -2.78 0.07 0.00 0.35 0.00 0.00 41.96 39.01 3lcd s TYR 665 CO 0.56 -0.06 0.22 0.00 -1.34 0.00 0.00 175.55 174.92 3lcd n TYR 668 N -3.41 0.09 -4.10 0.00 4.02 -0.24 -5.05 117.16 108.47 3lcd n TYR 668 Ca -0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3lcd n TYR 668 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 3lcd n TYR 668 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3lcd n GLY 669 N 1.27 -1.03 3.81 2.72 0.00 -0.97 -4.74 105.19 106.25 3lcd n GLY 669 Ca 0.17 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 3lcd n GLY 669 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3lcd s ASP 670 N -4.00 6.80 0.19 1.61 -4.77 -1.26 -0.10 116.67 115.14 3lcd s ASP 670 Ca 0.00 1.76 -0.10 0.00 -3.30 0.00 0.00 52.55 50.90 3lcd s ASP 670 Cb 0.00 -2.55 0.12 0.00 -1.09 0.00 0.00 42.92 39.41 3lcd s ASP 670 CO 0.00 -0.46 1.79 0.25 0.70 0.00 0.00 175.17 177.45 3lcd h LEU 671 N 1.86 0.91 0.23 2.11 5.85 0.23 -2.70 115.31 123.80 3lcd h LEU 671 Ca -0.49 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.11 3lcd h LEU 671 Cb 1.19 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 3lcd h LEU 671 CO 0.61 0.78 -0.24 0.25 -0.34 0.00 0.00 178.44 179.50 3lcd h LEU 672 N 0.98 -0.63 -1.19 2.25 5.85 -1.74 -0.30 115.31 120.52 3lcd h LEU 672 Ca 0.24 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 59.01 3lcd h LEU 672 Cb 0.10 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3lcd h LEU 672 CO -0.03 -0.35 0.33 0.78 -0.34 0.00 0.00 178.44 178.83 3lcd h ASN 673 N -0.50 0.80 -0.10 1.25 2.35 -1.88 -1.47 115.58 116.03 3lcd h ASN 673 Ca -0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3lcd h ASN 673 Cb 0.47 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 38.63 3lcd h ASN 673 CO -0.06 0.66 0.06 0.15 -1.65 0.00 0.00 177.43 176.60 3lcd h PHE 674 N 0.90 0.12 -0.83 1.19 3.57 -1.06 -0.47 116.94 120.35 3lcd h PHE 674 Ca 0.23 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3lcd h PHE 674 Cb 0.05 -0.04 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3lcd h PHE 674 CO 0.01 0.08 0.40 -0.07 -2.23 0.00 0.00 178.31 176.50 3lcd h LEU 675 N 0.13 1.08 -0.66 0.59 3.38 -0.79 -2.55 115.31 116.49 3lcd h LEU 675 Ca 0.04 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 3lcd h LEU 675 Cb -0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.44 3lcd h LEU 675 CO -0.01 0.91 -0.21 0.03 0.09 0.00 0.00 178.44 179.25 3lcd h ARG 676 N 1.18 0.82 -0.78 1.13 3.08 -0.94 -1.74 114.38 117.13 3lcd h ARG 676 Ca 0.29 -0.33 -0.02 0.00 0.07 0.00 0.00 59.98 59.98 3lcd h ARG 676 Cb 0.11 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.09 3lcd h ARG 676 CO -0.04 0.96 0.40 0.00 -1.07 0.00 0.00 179.97 180.22 3lcd h ARG 677 N 0.71 1.11 -0.62 0.04 2.47 -0.86 -0.84 114.38 116.39 3lcd h ARG 677 Ca 0.10 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.60 3lcd h ARG 677 Cb 0.74 -0.21 -0.02 0.00 -1.65 0.00 0.00 29.97 28.82 3lcd h ARG 677 CO 0.06 0.84 0.12 0.87 0.56 0.00 0.00 179.97 182.42 3lcd h LYS 678 N 1.09 1.02 -0.73 0.04 1.79 -1.30 0.17 116.57 118.65 3lcd h LYS 678 Ca 0.27 -0.26 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 3lcd h LYS 678 Cb 0.08 -0.12 -0.03 0.00 -1.58 0.00 0.00 32.23 30.58 3lcd h LYS 678 CO -0.04 0.94 0.32 0.00 -1.08 0.00 0.00 179.45 179.59 3lcd h ALA 679 N 1.03 0.94 -0.17 3.86 0.00 -1.09 -1.02 119.26 122.82 3lcd h ALA 679 Ca 0.19 -0.17 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3lcd h ALA 679 Cb 0.41 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3lcd h ALA 679 CO 0.01 0.54 -0.57 0.93 0.00 0.00 0.00 179.25 180.16 3lcd h GLU 680 N 1.04 0.54 -0.48 0.00 5.08 -1.00 -2.85 114.58 116.91 3lcd h GLU 680 Ca 0.25 -0.35 -0.13 0.00 -1.00 0.00 0.00 59.36 58.13 3lcd h GLU 680 Cb 0.17 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 3lcd h GLU 680 CO -0.03 0.96 -0.21 0.00 -1.00 0.00 0.00 179.01 178.74 3lcd h ALA 681 N 0.96 0.73 -0.34 3.43 0.00 -0.48 -2.96 119.26 120.59 3lcd h ALA 681 Ca 0.00 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.36 3lcd h ALA 681 Cb 1.12 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3lcd h ALA 681 CO 0.11 0.67 -0.43 0.22 0.00 0.00 0.00 179.25 179.82 3lcd h ASP 741 N 0.84 0.93 -0.96 0.00 3.58 -1.20 -2.24 116.42 117.37 3lcd h ASP 741 Ca 0.11 -0.44 0.18 0.00 0.42 0.00 0.00 57.03 57.30 3lcd h ASP 741 Cb 0.78 -0.26 -0.10 0.00 1.72 0.00 0.00 39.33 41.46 3lcd h ASP 741 CO 0.06 1.22 0.56 -0.07 -2.88 0.00 0.00 179.24 178.14 3lcd h LEU 742 N 0.69 0.71 0.02 2.28 3.38 -1.52 -3.52 115.31 117.36 3lcd h LEU 742 Ca 0.05 0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 3lcd h LEU 742 Cb 1.01 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3lcd h LEU 742 CO 0.10 0.25 -0.31 0.44 0.09 0.00 0.00 178.44 179.01 3lcd h ASP 743 N 0.72 0.07 -1.16 -0.43 3.32 -1.23 -3.52 116.42 114.18 3lcd h ASP 743 Ca 0.55 -0.92 0.12 0.00 0.02 0.00 0.00 57.03 56.79 3lcd h ASP 743 Cb 0.84 -0.02 -0.21 0.00 0.22 0.00 0.00 39.33 40.16 3lcd h ASP 743 CO -0.38 1.13 -0.13 -2.16 -1.72 0.00 0.00 179.24 175.97 3lcd s PRO 749 N -2.27 0.49 0.35 3.56 0.05 -1.26 -5.06 135.00 130.87 3lcd s PRO 749 Ca -0.20 1.01 -0.28 0.00 0.05 0.00 0.00 61.00 61.58 3lcd s PRO 749 Cb -0.01 0.58 -0.11 0.00 0.05 0.00 0.00 34.50 35.01 3lcd s PRO 749 CO 0.70 -0.41 1.44 -0.51 0.05 0.00 0.00 177.00 178.27 3lcd s LEU 750 N 2.84 4.35 0.28 -3.56 1.43 -1.26 -5.03 118.68 117.73 3lcd s LEU 750 Ca 0.09 2.93 0.12 0.00 -1.03 0.00 0.00 54.13 56.24 3lcd s LEU 750 Cb -0.13 -3.66 -0.05 0.00 0.03 0.00 0.00 46.19 42.38 3lcd s LEU 750 CO -0.19 -0.78 -0.19 -1.61 0.23 0.00 0.00 176.35 173.82 3lcd s GLU 751 N -1.84 1.72 0.38 1.70 0.41 -1.26 -5.04 118.70 114.78 3lcd s GLU 751 Ca 0.53 -1.74 0.13 0.00 -0.41 0.00 0.00 54.97 53.48 3lcd s GLU 751 Cb -0.45 -1.80 0.96 0.00 -1.78 0.00 0.00 34.13 31.07 3lcd s GLU 751 CO 0.59 0.33 1.85 1.25 -0.49 0.00 0.00 175.26 178.79 3lcd h LEU 752 N 2.27 0.53 -1.01 1.80 5.85 -1.95 -1.02 115.31 121.78 3lcd h LEU 752 Ca -0.40 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.39 3lcd h LEU 752 Cb 1.26 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3lcd h LEU 752 CO 0.60 0.23 0.66 0.03 -0.34 0.00 0.00 178.44 179.62 3lcd h ARG 753 N 0.54 1.27 -0.37 1.25 -0.00 -1.99 -0.93 114.38 114.15 3lcd h ARG 753 Ca 0.47 -0.08 -0.13 0.00 -0.50 0.00 0.00 59.98 59.75 3lcd h ARG 753 Cb 0.99 -0.29 -0.01 0.00 0.00 0.00 0.00 29.97 30.67 3lcd h ARG 753 CO -0.21 0.84 -0.28 -0.44 0.00 0.00 0.00 179.97 179.88 3lcd h ASP 754 N 1.31 0.89 -0.49 7.04 3.45 -1.60 -1.20 116.42 125.81 3lcd h ASP 754 Ca 0.39 -0.44 -0.05 0.00 0.43 0.00 0.00 57.03 57.36 3lcd h ASP 754 Cb -0.06 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.45 3lcd h ASP 754 CO -0.11 1.14 0.12 -0.07 -1.57 0.00 0.00 179.24 178.75 3lcd h LEU 755 N 0.64 0.75 -0.66 1.55 3.38 -1.27 -1.52 115.31 118.18 3lcd h LEU 755 Ca 0.07 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.85 3lcd h LEU 755 Cb 0.86 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 3lcd h LEU 755 CO 0.07 0.78 0.39 -0.07 0.09 0.00 0.00 178.44 179.71 3lcd h LEU 756 N 0.67 0.62 -0.43 1.67 3.38 -1.11 -1.99 115.31 118.12 3lcd h LEU 756 Ca 0.15 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3lcd h LEU 756 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 3lcd h LEU 756 CO 0.00 0.42 0.18 0.45 0.09 0.00 0.00 178.44 179.58 3lcd h HIS 757 N 0.75 0.64 -0.86 1.13 3.86 -0.83 -0.19 115.15 119.65 3lcd h HIS 757 Ca 0.28 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.48 3lcd h HIS 757 Cb 0.09 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 3lcd h HIS 757 CO -0.06 0.54 0.55 0.74 0.86 0.00 0.00 177.93 180.56 3lcd h PHE 758 N 0.55 1.04 -0.19 2.45 0.05 -1.17 -0.80 116.94 118.87 3lcd h PHE 758 Ca 0.14 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.93 3lcd h PHE 758 Cb 0.16 -0.34 -0.01 0.00 2.00 0.00 0.00 35.95 37.76 3lcd h PHE 758 CO -0.00 0.60 -0.01 0.77 -0.18 0.00 0.00 178.31 179.49 3lcd h SER 759 N 1.08 0.34 -0.59 2.17 0.02 -0.94 -1.62 113.55 114.00 3lcd h SER 759 Ca 0.34 -0.32 -0.05 0.00 -0.84 0.00 0.00 61.79 60.92 3lcd h SER 759 Cb -0.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.42 3lcd h SER 759 CO -0.11 0.57 0.18 -1.28 -1.14 0.00 0.00 176.83 175.05 3lcd h SER 760 N 0.09 0.90 -0.25 3.07 0.87 -0.90 -1.23 113.55 116.11 3lcd h SER 760 Ca 0.05 -0.16 -0.15 0.00 -1.23 0.00 0.00 61.79 60.30 3lcd h SER 760 Cb 0.40 -0.24 -0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3lcd h SER 760 CO 0.01 0.86 -0.42 1.56 -0.53 0.00 0.00 176.83 178.31 3lcd h GLN 761 N 0.93 0.72 -0.53 2.24 4.20 -1.01 -1.52 115.11 120.15 3lcd h GLN 761 Ca 0.20 -0.45 -0.01 0.00 0.06 0.00 0.00 58.65 58.45 3lcd h GLN 761 Cb 0.30 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 3lcd h GLN 761 CO -0.00 1.07 0.28 0.28 -0.67 0.00 0.00 178.83 179.78 3lcd h VAL 762 N 0.45 1.19 -0.71 -0.54 2.07 -1.14 -2.29 116.25 115.27 3lcd h VAL 762 Ca 0.02 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 67.12 3lcd h VAL 762 Cb 1.02 0.54 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 3lcd h VAL 762 CO 0.10 0.20 0.39 0.00 0.02 0.00 0.00 177.57 178.28 3lcd h ALA 763 N 1.11 0.98 -0.68 1.67 0.00 -1.14 -0.03 119.26 121.18 3lcd h ALA 763 Ca 0.18 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 3lcd h ALA 763 Cb 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3lcd h ALA 763 CO -0.03 0.04 0.15 1.96 0.00 0.00 0.00 179.25 181.38 3lcd h GLN 764 N 0.70 1.08 -0.47 0.00 1.08 -1.06 -0.54 115.11 115.90 3lcd h GLN 764 Ca 0.33 -0.26 -0.11 0.00 -1.45 0.00 0.00 58.65 57.16 3lcd h GLN 764 Cb 0.26 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.53 3lcd h GLN 764 CO -0.21 0.97 -0.15 0.78 -0.95 0.00 0.00 178.83 179.27 3lcd h GLY 765 N 1.07 0.97 1.34 3.46 0.00 -0.80 -2.37 103.07 106.73 3lcd h GLY 765 Ca 0.21 -0.78 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 3lcd h GLY 765 CO 0.00 0.72 -0.14 -0.33 0.00 0.00 0.00 176.54 176.79 3lcd h MET 766 N 0.79 0.78 -0.49 4.80 2.86 -0.73 -1.45 114.93 121.49 3lcd h MET 766 Ca 0.12 -0.27 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3lcd h MET 766 Cb 0.68 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 3lcd h MET 766 CO 0.05 0.88 0.03 0.00 1.06 0.00 0.00 176.91 178.93 3lcd h ALA 767 N 1.14 1.14 -0.37 6.32 0.00 -1.00 0.68 119.26 127.16 3lcd h ALA 767 Ca 0.11 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 3lcd h ALA 767 Cb 0.63 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3lcd h ALA 767 CO 0.04 0.56 -0.10 0.35 0.00 0.00 0.00 179.25 180.11 3lcd h PHE 768 N 0.75 0.81 -0.15 0.00 3.57 -1.19 -1.67 116.94 119.06 3lcd h PHE 768 Ca 0.15 -0.18 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 3lcd h PHE 768 Cb 0.41 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3lcd h PHE 768 CO 0.02 0.87 0.01 -0.07 -2.23 0.00 0.00 178.31 176.92 3lcd h LEU 769 N 0.52 0.25 -1.01 0.59 3.38 -0.63 -2.85 115.31 115.56 3lcd h LEU 769 Ca 0.09 -0.28 0.17 0.00 0.09 0.00 0.00 57.88 57.95 3lcd h LEU 769 Cb 0.61 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.20 3lcd h LEU 769 CO 0.04 0.47 0.62 0.00 0.09 0.00 0.00 178.44 179.66 3lcd h ALA 770 N 0.79 1.63 0.00 1.53 0.00 0.33 -0.67 119.26 122.87 3lcd h ALA 770 Ca 0.04 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3lcd h ALA 770 Cb 0.33 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 3lcd h ALA 770 CO 0.01 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 178.16 3lcd n SER 771 N -4.72 0.00 -1.07 0.00 3.41 -0.63 -1.54 113.62 109.07 3lcd n SER 771 Ca 0.22 0.42 0.12 0.00 -0.26 0.00 0.00 58.87 59.37 3lcd n SER 771 Cb 0.51 -0.47 0.17 0.00 -0.26 0.00 0.00 64.21 64.16 3lcd n SER 771 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3lcd n LYS 772 N -1.47 2.41 -3.68 4.33 4.76 -0.36 -4.97 118.16 119.19 3lcd n LYS 772 Ca 0.06 -2.14 -0.25 0.00 -2.87 0.00 0.00 58.31 53.11 3lcd n LYS 772 Cb 0.25 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.02 3lcd n LYS 772 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3lcd n ASN 773 N 1.42 -6.03 -4.26 4.39 3.02 -0.59 -4.87 115.26 108.35 3lcd n ASN 773 Ca 0.17 -0.60 -0.37 0.00 -0.03 0.00 0.00 54.58 53.75 3lcd n ASN 773 Cb 0.60 -4.77 -0.13 0.00 -0.61 0.00 0.00 39.78 34.88 3lcd n ASN 773 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3lcd s ILE 775 N 1.38 5.15 -0.03 0.00 -4.36 -0.39 -4.04 121.20 118.91 3lcd s ILE 775 Ca -0.02 0.72 -0.24 0.00 -0.26 0.00 0.00 60.65 60.85 3lcd s ILE 775 Cb -0.19 -3.75 -0.21 0.00 1.25 0.00 0.00 42.46 39.56 3lcd s ILE 775 CO 0.02 0.17 1.13 -0.74 0.24 0.00 0.00 174.94 175.76 3lcd h HIS 776 N 7.83 0.21 0.00 1.37 -0.00 -1.89 0.07 115.15 122.74 3lcd h HIS 776 Ca -0.32 -0.09 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 3lcd h HIS 776 Cb 1.16 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.53 3lcd h HIS 776 CO 0.73 0.79 0.00 0.54 -0.00 0.00 0.00 177.93 179.99 3lcd n ARG 777 N -4.61 -0.77 -2.72 5.26 1.74 -1.26 -1.97 116.66 112.33 3lcd n ARG 777 Ca -0.09 0.19 -0.05 0.00 -0.77 0.00 0.00 57.85 57.13 3lcd n ARG 777 Cb 0.41 -3.82 0.07 0.00 -1.02 0.00 0.00 32.46 28.10 3lcd n ARG 777 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3lcd n ASP 778 N -0.39 0.29 -4.61 0.55 4.64 -1.26 -4.88 116.55 110.90 3lcd n ASP 778 Ca 0.00 -2.40 -0.43 0.00 -1.38 0.00 0.00 54.79 50.58 3lcd n ASP 778 Cb 0.19 0.01 -0.02 0.00 -1.04 0.00 0.00 41.12 40.26 3lcd n ASP 778 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3lcd s VAL 779 N -2.07 4.19 0.06 5.18 1.01 -1.26 -4.76 120.40 122.75 3lcd s VAL 779 Ca 0.23 1.25 -0.23 0.00 0.00 0.00 0.00 61.98 63.24 3lcd s VAL 779 Cb 0.41 -4.46 0.05 0.00 0.00 0.00 0.00 36.38 32.38 3lcd s VAL 779 CO -0.03 -0.83 0.53 0.00 0.00 0.00 0.00 175.10 174.77 3lcd s ALA 780 N 4.51 -1.37 0.42 5.51 0.00 -1.26 -4.64 121.76 124.93 3lcd s ALA 780 Ca 0.51 0.58 0.15 0.00 0.00 0.00 0.00 51.96 53.21 3lcd s ALA 780 Cb -0.10 0.45 1.04 0.00 0.00 0.00 0.00 23.12 24.51 3lcd s ALA 780 CO 0.29 -0.54 1.91 0.00 0.00 0.00 0.00 175.76 177.41 3lcd h ALA 781 N 2.66 2.10 0.00 0.00 0.00 -1.93 -1.23 119.26 120.86 3lcd h ALA 781 Ca -0.31 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3lcd h ALA 781 Cb 1.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.95 3lcd h ALA 781 CO 0.41 -0.31 0.00 0.07 0.00 0.00 0.00 179.25 179.42 3lcd h ARG 782 N 0.43 0.00 -0.17 0.00 0.11 -1.95 -2.59 114.38 110.21 3lcd h ARG 782 Ca 0.38 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.46 3lcd h ARG 782 Cb 0.86 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.94 3lcd h ARG 782 CO -0.13 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.03 3lcd n ASN 783 N -3.05 2.58 -4.79 0.08 3.02 -0.48 -4.79 115.26 107.83 3lcd n ASN 783 Ca -0.01 -1.75 -0.37 0.00 -0.03 0.00 0.00 54.58 52.42 3lcd n ASN 783 Cb 0.19 -0.11 -0.07 0.00 -0.61 0.00 0.00 39.78 39.19 3lcd n ASN 783 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3lcd s VAL 784 N -1.16 5.30 0.18 2.41 1.01 -1.00 -0.91 120.40 126.22 3lcd s VAL 784 Ca 0.22 0.51 0.11 0.00 0.00 0.00 0.00 61.98 62.82 3lcd s VAL 784 Cb 0.14 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 3lcd s VAL 784 CO 0.20 0.49 -0.24 -0.76 0.00 0.00 0.00 175.10 174.79 3lcd s LEU 785 N -0.23 2.45 -0.22 3.92 1.02 -0.36 0.66 118.68 125.92 3lcd s LEU 785 Ca 0.17 -0.82 -0.00 0.00 0.02 0.00 0.00 54.13 53.50 3lcd s LEU 785 Cb -0.13 -1.22 0.02 0.00 0.02 0.00 0.00 46.19 44.88 3lcd s LEU 785 CO 0.06 0.13 -0.12 -0.76 0.02 0.00 0.00 176.35 175.68 3lcd s LEU 786 N -2.54 2.78 0.00 1.79 1.43 0.85 -1.14 118.68 121.85 3lcd s LEU 786 Ca 0.20 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.51 3lcd s LEU 786 Cb -0.08 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.54 3lcd s LEU 786 CO 0.09 -0.07 0.00 1.07 0.23 0.00 0.00 176.35 177.67 3lcd n THR 787 N 4.64 0.00 -1.61 5.49 5.66 -0.65 -1.08 114.28 126.73 3lcd n THR 787 Ca -0.18 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.38 3lcd n THR 787 Cb 0.48 -1.01 -0.01 0.00 -1.55 0.00 0.00 70.33 68.24 3lcd n THR 787 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 3lcd n ASN 788 N -1.90 1.63 -0.01 1.09 4.13 -1.26 -0.83 115.26 118.12 3lcd n ASN 788 Ca 0.00 1.19 -0.00 0.00 1.68 0.00 0.00 54.58 57.45 3lcd n ASN 788 Cb 0.00 -1.33 -0.00 0.00 -1.54 0.00 0.00 39.78 36.91 3lcd n ASN 788 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3lcd n GLY 789 N 1.11 0.30 2.53 7.41 0.00 -1.26 -3.26 105.19 112.03 3lcd n GLY 789 Ca 0.08 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.89 3lcd n GLY 789 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3lcd n HIS 790 N -2.59 -1.22 -2.29 1.61 8.25 -0.01 -4.98 115.22 113.98 3lcd n HIS 790 Ca -0.00 0.11 -0.42 0.00 -0.26 0.00 0.00 57.72 57.14 3lcd n HIS 790 Cb 0.20 -4.01 -0.03 0.00 1.12 0.00 0.00 29.99 27.28 3lcd n HIS 790 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3lcd s VAL 791 N -3.05 3.77 0.28 1.59 1.01 -1.16 -4.74 120.40 118.10 3lcd s VAL 791 Ca 0.06 1.21 -0.29 0.00 0.00 0.00 0.00 61.98 62.97 3lcd s VAL 791 Cb -0.03 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.48 3lcd s VAL 791 CO 0.08 0.05 0.96 0.00 0.00 0.00 0.00 175.10 176.19 3lcd s ALA 792 N 1.73 3.30 -0.01 5.51 0.00 -1.26 -1.63 121.76 129.40 3lcd s ALA 792 Ca 0.62 0.62 0.00 0.00 0.00 0.00 0.00 51.96 53.20 3lcd s ALA 792 Cb -0.31 -3.22 0.01 0.00 0.00 0.00 0.00 23.12 19.60 3lcd s ALA 792 CO 0.27 0.14 0.01 0.15 0.00 0.00 0.00 175.76 176.34 3lcd s LYS 793 N -1.53 0.02 -0.11 0.00 1.02 -0.29 -4.48 119.74 114.36 3lcd s LYS 793 Ca 0.45 0.07 -0.29 0.00 0.02 0.00 0.00 55.97 56.22 3lcd s LYS 793 Cb -0.24 -0.14 -0.01 0.00 -0.52 0.00 0.00 37.83 36.92 3lcd s LYS 793 CO 0.30 -0.07 0.99 0.42 -0.92 0.00 0.00 175.35 176.07 3lcd s ILE 794 N 0.46 4.79 0.18 2.17 1.01 -0.22 -1.22 121.20 128.37 3lcd s ILE 794 Ca -0.04 2.00 0.00 0.00 0.00 0.00 0.00 60.65 62.61 3lcd s ILE 794 Cb -0.06 -4.30 -0.00 0.00 0.01 0.00 0.00 42.46 38.12 3lcd s ILE 794 CO -0.01 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.55 3lcd n GLY 795 N 3.13 3.96 2.81 6.18 0.00 -0.09 -1.63 105.19 119.55 3lcd n GLY 795 Ca 0.08 -2.24 -0.05 0.00 0.00 0.00 0.00 46.02 43.81 3lcd n GLY 795 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3lcd n ASP 796 N -1.17 -7.90 -2.23 1.61 2.03 -1.26 -4.83 116.55 102.79 3lcd n ASP 796 Ca -0.07 0.98 -0.25 0.00 0.52 0.00 0.00 54.79 55.97 3lcd n ASP 796 Cb 0.23 -5.14 0.17 0.00 -0.72 0.00 0.00 41.12 35.65 3lcd n ASP 796 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 3lcd n PHE 797 N 0.28 3.08 -0.03 -0.67 3.72 -1.26 -4.60 117.46 117.98 3lcd n PHE 797 Ca 0.05 -1.96 -0.02 0.00 -0.05 0.00 0.00 57.45 55.47 3lcd n PHE 797 Cb 0.23 -1.00 0.24 0.00 -0.94 0.00 0.00 39.48 38.02 3lcd n PHE 797 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3lcd h GLY 798 N 1.11 0.63 -1.09 1.37 0.00 -1.91 -2.76 103.07 100.42 3lcd h GLY 798 Ca 0.63 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.56 3lcd h GLY 798 CO 1.15 0.38 -0.27 1.04 0.00 0.00 0.00 176.54 178.84 3lcd n LEU 799 N -4.23 2.07 -4.65 3.11 4.77 -1.26 -4.99 117.00 111.82 3lcd n LEU 799 Ca 0.01 -0.84 -0.43 0.00 -0.03 0.00 0.00 56.01 54.73 3lcd n LEU 799 Cb 0.29 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.37 3lcd n LEU 799 CO 0.40 0.38 0.75 0.00 -1.33 0.00 0.00 177.39 177.59 3lcd n ALA 800 N 0.30 0.64 -2.69 -1.18 0.00 -0.83 -4.64 120.51 112.11 3lcd n ALA 800 Ca 0.09 0.35 -0.11 0.00 0.00 0.00 0.00 53.44 53.77 3lcd n ALA 800 Cb 0.43 -2.15 -0.11 0.00 0.00 0.00 0.00 19.45 17.62 3lcd n ALA 800 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3lcd s ARG 801 N -1.80 0.52 -0.16 0.00 6.06 0.01 -4.95 118.95 118.64 3lcd s ARG 801 Ca 0.58 -0.87 -0.04 0.00 -2.50 0.00 0.00 55.73 52.90 3lcd s ARG 801 Cb -0.61 -0.09 -0.03 0.00 0.06 0.00 0.00 34.95 34.28 3lcd s ARG 801 CO 0.61 -0.01 -0.03 -0.51 -2.50 0.00 0.00 175.30 172.86 3lcd s ASP 802 N -1.95 4.90 0.37 -2.12 1.01 -1.26 -1.26 116.67 116.35 3lcd s ASP 802 Ca -0.06 -0.10 0.00 0.00 0.71 0.00 0.00 52.55 53.10 3lcd s ASP 802 Cb -0.05 -1.79 0.00 0.00 1.01 0.00 0.00 42.92 42.09 3lcd s ASP 802 CO -0.02 0.18 0.02 2.30 0.21 0.00 0.00 175.17 177.86 3lcd n ILE 803 N 3.48 0.00 -2.30 0.77 -5.35 -0.71 -5.03 119.36 110.21 3lcd n ILE 803 Ca -0.17 -1.71 -0.01 0.00 -0.27 0.00 0.00 62.75 60.60 3lcd n ILE 803 Cb 0.52 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.73 3lcd n ILE 803 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 3lcd n MET 804 N -0.94 -2.23 0.00 6.28 1.56 -1.26 -4.87 117.12 115.66 3lcd n MET 804 Ca -0.14 1.96 0.00 0.00 -0.27 0.00 0.00 57.70 59.25 3lcd n MET 804 Cb 0.46 -3.92 0.00 0.00 2.15 0.00 0.00 33.22 31.91 3lcd n MET 804 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3lcd n SER 807 N 0.37 0.06 -4.87 6.12 3.41 -1.26 -4.96 113.62 112.49 3lcd n SER 807 Ca 0.01 -0.31 -0.30 0.00 -0.26 0.00 0.00 58.87 58.00 3lcd n SER 807 Cb 0.03 0.30 -0.01 0.00 -0.26 0.00 0.00 64.21 64.28 3lcd n SER 807 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3lcd s ASN 808 N -0.30 6.38 -0.12 4.04 -0.87 -1.26 -4.84 114.94 117.96 3lcd s ASN 808 Ca 0.00 1.31 0.03 0.00 -1.57 0.00 0.00 52.86 52.63 3lcd s ASN 808 Cb 0.00 -2.41 0.00 0.00 -0.02 0.00 0.00 41.25 38.82 3lcd s ASN 808 CO 0.00 -0.67 -0.22 -0.47 -2.57 0.00 0.00 177.10 173.17 3lcd s TYR 809 N -2.83 2.63 -0.11 2.20 5.04 -0.62 -4.94 117.35 118.72 3lcd s TYR 809 Ca 0.54 -1.09 -0.05 0.00 -2.44 0.00 0.00 57.07 54.02 3lcd s TYR 809 Cb -0.10 -1.76 -0.04 0.00 0.35 0.00 0.00 41.96 40.41 3lcd s TYR 809 CO 0.43 -0.46 0.08 0.42 -1.34 0.00 0.00 175.55 174.69 3lcd s ILE 810 N 0.50 5.03 -0.07 3.14 -1.09 -1.26 -0.68 121.20 126.77 3lcd s ILE 810 Ca -0.14 0.03 -0.30 0.00 -2.23 0.00 0.00 60.65 58.01 3lcd s ILE 810 Cb -0.17 -3.16 -0.02 0.00 -1.58 0.00 0.00 42.46 37.52 3lcd s ILE 810 CO 0.05 0.61 1.12 -0.69 -1.23 0.00 0.00 174.94 174.81 3lcd s VAL 811 N -0.97 4.46 0.03 2.92 1.01 -0.36 -4.94 120.40 122.55 3lcd s VAL 811 Ca 0.14 1.76 -0.23 0.00 0.00 0.00 0.00 61.98 63.66 3lcd s VAL 811 Cb -0.12 -4.13 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 3lcd s VAL 811 CO 0.03 0.00 1.41 0.07 0.00 0.00 0.00 175.10 176.62 3lcd h LYS 812 N 7.30 0.16 0.00 2.72 -0.00 -1.98 -3.49 116.57 121.29 3lcd h LYS 812 Ca -0.33 -0.06 0.00 0.00 -0.00 0.00 0.00 60.65 60.26 3lcd h LYS 812 Cb 1.16 -0.01 0.00 0.00 -0.00 0.00 0.00 32.23 33.38 3lcd h LYS 812 CO 0.87 0.48 0.00 0.41 -0.00 0.00 0.00 179.45 181.21 3lcd n GLY 813 N -0.11 3.93 3.62 0.07 0.00 -1.26 -5.05 105.19 106.39 3lcd n GLY 813 Ca -0.07 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3lcd n GLY 813 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3lcd n ASN 814 N 0.00 0.00 -4.68 1.61 5.03 -1.26 -4.99 115.26 110.97 3lcd n ASN 814 Ca 0.00 0.00 -0.44 0.00 0.87 0.00 0.00 54.58 55.01 3lcd n ASN 814 Cb 0.00 -0.05 -0.02 0.00 -1.02 0.00 0.00 39.78 38.69 3lcd n ASN 814 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3lcd n ALA 815 N 0.05 1.13 -1.85 5.41 0.00 -1.26 -4.95 120.51 119.05 3lcd n ALA 815 Ca 0.00 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.42 3lcd n ALA 815 Cb 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 19.45 17.16 3lcd n ALA 815 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3lcd s ARG 816 N -0.80 4.22 0.18 0.00 0.52 -1.26 -5.02 118.95 116.79 3lcd s ARG 816 Ca 0.65 2.38 0.07 0.00 -0.52 0.00 0.00 55.73 58.31 3lcd s ARG 816 Cb -0.63 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 31.70 3lcd s ARG 816 CO 0.53 -0.50 -0.15 -0.51 0.02 0.00 0.00 175.30 174.69 3lcd s LEU 817 N -0.20 2.50 -1.34 2.53 1.43 -1.26 -5.06 118.68 117.28 3lcd s LEU 817 Ca 0.62 -0.95 -0.14 0.00 -1.03 0.00 0.00 54.13 52.63 3lcd s LEU 817 Cb -0.44 -0.68 0.10 0.00 0.03 0.00 0.00 46.19 45.21 3lcd s LEU 817 CO 0.43 -0.14 1.90 -0.81 0.23 0.00 0.00 176.35 177.95 3lcd n PRO 818 N -0.06 3.22 -0.34 1.29 -0.04 -1.26 -4.85 135.00 132.95 3lcd n PRO 818 Ca -0.11 -3.20 0.10 0.00 -0.04 0.00 0.00 63.50 60.25 3lcd n PRO 818 Cb 0.59 -3.20 0.27 0.00 -0.04 0.00 0.00 33.50 31.12 3lcd n PRO 818 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3lcd h VAL 819 N 4.40 0.77 0.00 0.52 2.07 -1.97 0.08 116.25 122.13 3lcd h VAL 819 Ca 0.46 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 67.70 3lcd h VAL 819 Cb 0.73 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 3lcd h VAL 819 CO 1.62 0.15 0.00 0.29 0.02 0.00 0.00 177.57 179.64 3lcd n LYS 820 N -4.75 0.01 -0.05 1.57 5.02 -1.26 -2.11 118.16 116.58 3lcd n LYS 820 Ca 0.20 0.23 0.08 0.00 -2.02 0.00 0.00 58.31 56.80 3lcd n LYS 820 Cb 0.47 -1.52 0.10 0.00 -0.02 0.00 0.00 35.03 34.07 3lcd n LYS 820 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3lcd n TRP 821 N -1.53 0.14 -3.38 2.13 8.01 0.00 -4.99 117.44 117.81 3lcd n TRP 821 Ca 0.04 -0.10 -0.38 0.00 -1.31 0.00 0.00 57.50 55.74 3lcd n TRP 821 Cb 0.19 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.43 3lcd n TRP 821 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3lcd s MET 822 N -1.27 4.11 0.50 -0.99 -1.94 -0.90 -3.87 119.30 114.95 3lcd s MET 822 Ca 0.22 0.52 -0.21 0.00 -1.71 0.00 0.00 55.69 54.50 3lcd s MET 822 Cb 0.14 -3.29 -0.06 0.00 2.01 0.00 0.00 34.83 33.63 3lcd s MET 822 CO 0.21 0.53 1.18 0.00 -0.01 0.00 0.00 175.02 176.93 3lcd s ALA 823 N -0.61 2.84 0.25 3.03 0.00 -1.26 -4.86 121.76 121.15 3lcd s ALA 823 Ca 0.26 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3lcd s ALA 823 Cb -0.17 -3.40 0.46 0.00 0.00 0.00 0.00 23.12 20.01 3lcd s ALA 823 CO 0.14 -0.81 1.76 -1.00 0.00 0.00 0.00 175.76 175.85 3lcd h PRO 824 N 1.66 0.58 0.00 0.00 0.13 -1.95 0.19 132.00 132.60 3lcd h PRO 824 Ca -0.50 -0.03 -0.01 0.00 -0.87 0.00 0.00 66.00 64.59 3lcd h PRO 824 Cb 1.26 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.26 3lcd h PRO 824 CO 0.59 0.38 -0.05 1.05 -0.23 0.00 0.00 178.00 179.74 3lcd h GLU 825 N 0.59 0.00 -0.07 0.86 9.09 -1.88 0.36 114.58 123.53 3lcd h GLU 825 Ca 0.42 0.00 -0.20 0.00 0.05 0.00 0.00 59.36 59.63 3lcd h GLU 825 Cb 0.56 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.67 3lcd h GLU 825 CO -0.34 0.05 -0.80 0.77 0.05 0.00 0.00 179.01 178.74 3lcd h SER 826 N 0.00 0.60 0.03 3.06 0.02 -0.67 -0.59 113.55 115.99 3lcd h SER 826 Ca -0.00 -0.41 -0.00 0.00 -0.84 0.00 0.00 61.79 60.53 3lcd h SER 826 Cb 0.10 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3lcd h SER 826 CO 0.01 1.18 -0.01 0.40 -1.14 0.00 0.00 176.83 177.26 3lcd h ILE 827 N 0.32 1.41 0.00 3.27 2.04 -0.58 -2.91 117.51 121.06 3lcd h ILE 827 Ca -0.05 -1.74 -0.20 0.00 1.00 0.00 0.00 64.86 63.86 3lcd h ILE 827 Cb 1.41 2.51 -0.03 0.00 -0.74 0.00 0.00 36.82 39.97 3lcd h ILE 827 CO 0.14 0.42 -1.31 -0.26 0.00 0.00 0.00 178.15 177.15 3lcd h PHE 828 N -0.85 0.00 -0.00 1.37 0.04 -0.48 -3.37 116.94 113.65 3lcd h PHE 828 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3lcd h PHE 828 Cb 0.72 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.87 3lcd h PHE 828 CO 0.18 0.76 -0.01 -0.25 -0.60 0.00 0.00 178.31 178.39 3lcd n ASP 829 N -3.06 1.05 -2.85 2.17 8.00 -0.32 -5.00 116.55 116.54 3lcd n ASP 829 Ca -0.09 -1.03 -0.22 0.00 0.71 0.00 0.00 54.79 54.17 3lcd n ASP 829 Cb 0.91 0.14 0.02 0.00 -0.02 0.00 0.00 41.12 42.17 3lcd n ASP 829 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3lcd s VAL 831 N -3.11 3.11 -0.09 0.00 1.01 -0.67 -1.22 120.40 119.43 3lcd s VAL 831 Ca 0.21 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.53 3lcd s VAL 831 Cb -0.10 -2.26 0.02 0.00 0.00 0.00 0.00 36.38 34.04 3lcd s VAL 831 CO 0.26 0.56 -0.12 -0.31 0.00 0.00 0.00 175.10 175.50 3lcd s TYR 832 N -0.26 1.58 0.48 5.22 1.51 0.15 -2.51 117.35 123.52 3lcd s TYR 832 Ca 0.02 -0.67 0.02 0.00 -1.01 0.00 0.00 57.07 55.43 3lcd s TYR 832 Cb -0.13 -1.19 -0.03 0.00 -0.11 0.00 0.00 41.96 40.51 3lcd s TYR 832 CO 0.03 -0.38 0.02 0.95 -1.11 0.00 0.00 175.55 175.05 3lcd s THR 833 N 0.99 1.24 0.49 -0.71 -4.23 -1.26 -1.60 115.64 110.56 3lcd s THR 833 Ca -0.08 -2.00 0.18 0.00 -1.18 0.00 0.00 61.69 58.61 3lcd s THR 833 Cb -0.15 -2.32 0.33 0.00 1.34 0.00 0.00 72.50 71.70 3lcd s THR 833 CO -0.00 0.00 2.04 0.58 -0.54 0.00 0.00 174.62 176.70 3lcd h VAL 834 N 1.47 0.89 0.00 2.29 2.07 -1.95 0.22 116.25 121.24 3lcd h VAL 834 Ca -0.43 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.03 3lcd h VAL 834 Cb 1.30 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3lcd h VAL 834 CO 0.74 0.03 -0.01 1.56 0.02 0.00 0.00 177.57 179.91 3lcd h GLN 835 N 0.16 0.00 -0.63 1.57 1.08 -1.95 -1.98 115.11 113.36 3lcd h GLN 835 Ca 0.18 0.00 -0.09 0.00 -1.45 0.00 0.00 58.65 57.28 3lcd h GLN 835 Cb 0.49 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.90 3lcd h GLN 835 CO -0.02 0.01 0.04 0.77 -0.95 0.00 0.00 178.83 178.67 3lcd h SER 836 N 0.00 1.06 -0.07 1.46 0.02 -1.31 -2.75 113.55 111.96 3lcd h SER 836 Ca -0.00 -0.29 -0.03 0.00 -0.84 0.00 0.00 61.79 60.63 3lcd h SER 836 Cb 0.44 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 3lcd h SER 836 CO 0.00 1.09 -0.03 0.44 -1.14 0.00 0.00 176.83 177.19 3lcd h ASP 837 N 1.00 0.23 -0.51 3.07 3.32 -1.35 -2.41 116.42 119.77 3lcd h ASP 837 Ca 0.18 -0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 3lcd h ASP 837 Cb 0.52 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 3lcd h ASP 837 CO 0.03 0.31 0.12 0.58 -1.72 0.00 0.00 179.24 178.55 3lcd h VAL 838 N 0.25 1.24 0.02 -1.35 2.07 -1.28 0.22 116.25 117.43 3lcd h VAL 838 Ca 0.06 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.71 3lcd h VAL 838 Cb 0.22 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3lcd h VAL 838 CO 0.01 0.33 -0.04 -0.25 0.02 0.00 0.00 177.57 177.63 3lcd h TRP 839 N 0.84 -0.11 -0.62 1.57 2.91 -1.34 -1.76 115.95 117.44 3lcd h TRP 839 Ca 0.18 0.00 0.04 0.00 1.13 0.00 0.00 58.89 60.24 3lcd h TRP 839 Cb 0.33 0.05 -0.04 0.00 -0.51 0.00 0.00 29.16 28.99 3lcd h TRP 839 CO 0.02 -0.07 0.37 0.77 -1.03 0.00 0.00 178.44 178.50 3lcd h SER 840 N -0.09 0.58 -0.78 2.65 0.02 -1.08 -1.80 113.55 113.05 3lcd h SER 840 Ca 0.01 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.00 3lcd h SER 840 Cb 0.10 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 3lcd h SER 840 CO -0.03 0.40 0.51 0.22 -1.14 0.00 0.00 176.83 176.79 3lcd h TYR 841 N 0.71 0.93 -0.95 3.45 3.20 -0.29 -1.08 116.97 122.94 3lcd h TYR 841 Ca 0.26 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.15 3lcd h TYR 841 Cb 0.08 -0.31 -0.05 0.00 1.54 0.00 0.00 36.73 37.99 3lcd h TYR 841 CO -0.06 0.54 0.60 0.78 -1.64 0.00 0.00 178.16 178.37 3lcd h GLY 842 N 0.96 1.36 1.01 1.82 0.00 -0.46 0.10 103.07 107.86 3lcd h GLY 842 Ca 0.31 -0.54 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3lcd h GLY 842 CO -0.09 0.53 0.20 -2.22 0.00 0.00 0.00 176.54 174.96 3lcd h ILE 843 N 1.30 1.24 -0.59 2.60 1.08 -0.88 -1.71 117.51 120.56 3lcd h ILE 843 Ca 0.34 -0.81 -0.00 0.00 -0.39 0.00 0.00 64.86 64.00 3lcd h ILE 843 Cb -0.10 0.62 -0.03 0.00 -3.07 0.00 0.00 36.82 34.24 3lcd h ILE 843 CO -0.07 0.31 0.35 0.25 -0.69 0.00 0.00 178.15 178.30 3lcd h LEU 844 N 0.86 0.71 -0.92 1.44 6.46 -0.66 -0.32 115.31 122.89 3lcd h LEU 844 Ca 0.20 -0.07 0.08 0.00 -0.12 0.00 0.00 57.88 57.98 3lcd h LEU 844 Cb 0.27 -0.18 -0.07 0.00 -0.73 0.00 0.00 40.66 39.95 3lcd h LEU 844 CO -0.01 0.57 0.57 -0.07 -0.62 0.00 0.00 178.44 178.88 3lcd h LEU 845 N 0.79 0.87 -1.01 2.25 3.38 -0.46 0.26 115.31 121.39 3lcd h LEU 845 Ca 0.21 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.17 3lcd h LEU 845 Cb -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3lcd h LEU 845 CO -0.04 0.52 0.20 -0.25 0.09 0.00 0.00 178.44 178.96 3lcd h TRP 846 N 0.98 0.94 -0.45 1.13 7.01 -0.32 -1.28 115.95 123.96 3lcd h TRP 846 Ca 0.42 -0.07 -0.11 0.00 2.11 0.00 0.00 58.89 61.24 3lcd h TRP 846 Cb 0.30 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 27.06 3lcd h TRP 846 CO -0.03 0.75 -0.16 0.93 -2.79 0.00 0.00 178.44 177.14 3lcd h GLU 847 N 0.89 0.91 0.27 2.65 5.08 0.65 -2.09 114.58 122.94 3lcd h GLU 847 Ca 0.20 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3lcd h GLU 847 Cb 0.24 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3lcd h GLU 847 CO -0.01 1.03 -0.13 0.82 -1.00 0.00 0.00 179.01 179.72 3lcd h ILE 848 N 0.75 0.78 0.00 3.13 2.04 -0.24 0.34 117.51 124.31 3lcd h ILE 848 Ca 0.11 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.45 3lcd h ILE 848 Cb 0.72 1.06 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3lcd h ILE 848 CO 0.05 0.11 0.00 0.49 0.00 0.00 0.00 178.15 178.80 3lcd n PHE 849 N -5.13 0.00 0.81 1.37 3.72 -0.51 -1.42 117.46 116.31 3lcd n PHE 849 Ca -0.09 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.43 3lcd n PHE 849 Cb 0.24 -0.35 0.19 0.00 -0.94 0.00 0.00 39.48 38.62 3lcd n PHE 849 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3lcd n SER 850 N -1.35 2.96 -3.46 4.37 3.41 -0.78 -2.40 113.62 116.36 3lcd n SER 850 Ca 0.10 -1.94 -0.23 0.00 -0.26 0.00 0.00 58.87 56.55 3lcd n SER 850 Cb 0.24 -0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.17 3lcd n SER 850 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3lcd n LEU 851 N 1.24 -3.35 0.00 1.04 4.77 -0.51 -3.89 117.00 116.31 3lcd n LEU 851 Ca 0.16 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.63 3lcd n LEU 851 Cb 0.57 -2.93 0.00 0.00 -2.33 0.00 0.00 43.42 38.73 3lcd n LEU 851 CO 0.15 0.63 0.00 0.61 -1.33 0.00 0.00 177.39 177.45 3lcd n GLY 852 N -1.95 1.06 3.77 -0.72 0.00 0.12 -4.00 105.19 103.48 3lcd n GLY 852 Ca 0.01 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 3lcd n GLY 852 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3lcd s LEU 853 N 0.00 4.16 0.27 0.99 1.43 -1.25 -4.92 118.68 119.36 3lcd s LEU 853 Ca 0.00 2.53 -0.30 0.00 -1.03 0.00 0.00 54.13 55.32 3lcd s LEU 853 Cb 0.00 -4.00 -0.11 0.00 0.03 0.00 0.00 46.19 42.10 3lcd s LEU 853 CO 0.00 -0.85 1.60 0.21 0.23 0.00 0.00 176.35 177.53 3lcd s ASN 854 N -0.95 6.40 0.68 2.29 3.04 -1.26 -4.73 114.94 120.42 3lcd s ASN 854 Ca 0.59 2.91 -0.17 0.00 0.04 0.00 0.00 52.86 56.22 3lcd s ASN 854 Cb -0.35 -2.63 0.00 0.00 -1.54 0.00 0.00 41.25 36.74 3lcd s ASN 854 CO 0.44 -0.90 1.19 -2.65 -3.04 0.00 0.00 177.10 172.14 3lcd n PRO 855 N 2.49 0.85 -3.79 0.43 -0.02 -1.26 -3.25 135.00 130.44 3lcd n PRO 855 Ca 0.09 0.35 -0.28 0.00 -2.02 0.00 0.00 63.50 61.64 3lcd n PRO 855 Cb 0.37 -2.43 0.02 0.00 -0.02 0.00 0.00 33.50 31.44 3lcd n PRO 855 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3lcd n TYR 856 N -2.20 -1.80 -1.68 6.00 4.01 -1.26 -4.74 117.16 115.49 3lcd n TYR 856 Ca 0.15 0.60 -0.46 0.00 -0.16 0.00 0.00 57.90 58.03 3lcd n TYR 856 Cb 0.49 -3.64 -0.04 0.00 -0.31 0.00 0.00 39.34 35.83 3lcd n TYR 856 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3lcd n PRO 857 N -4.29 2.25 -0.38 -0.72 -0.04 -1.20 -1.45 135.00 129.17 3lcd n PRO 857 Ca -0.20 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.08 3lcd n PRO 857 Cb 0.64 -2.61 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 3lcd n PRO 857 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3lcd n GLY 858 N 3.66 1.46 3.46 0.55 0.00 -1.26 -5.02 105.19 108.03 3lcd n GLY 858 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3lcd n GLY 858 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3lcd s ILE 859 N -3.09 4.67 0.45 -0.61 1.01 -0.53 -5.09 121.20 118.01 3lcd s ILE 859 Ca 0.00 -0.34 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 3lcd s ILE 859 Cb 0.00 -3.36 -0.10 0.00 0.01 0.00 0.00 42.46 39.01 3lcd s ILE 859 CO 0.00 0.10 0.97 -0.76 0.00 0.00 0.00 174.94 175.24 3lcd s LEU 860 N 1.63 3.88 -0.33 2.97 1.43 -1.26 -4.96 118.68 122.05 3lcd s LEU 860 Ca 0.05 1.70 -0.29 0.00 -1.03 0.00 0.00 54.13 54.57 3lcd s LEU 860 Cb -0.17 -4.54 -0.01 0.00 0.03 0.00 0.00 46.19 41.50 3lcd s LEU 860 CO 0.07 -0.45 1.66 -0.69 0.23 0.00 0.00 176.35 177.17 3lcd s VAL 861 N -2.21 3.63 0.08 -1.59 1.01 -1.26 -4.39 120.40 115.66 3lcd s VAL 861 Ca 0.62 0.65 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 3lcd s VAL 861 Cb -0.10 -3.80 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3lcd s VAL 861 CO 0.16 -0.48 0.30 -0.46 0.00 0.00 0.00 175.10 174.63 3lcd n ASN 862 N 9.56 -0.61 -0.32 3.32 0.23 -1.26 -5.00 115.26 121.18 3lcd n ASN 862 Ca 0.20 -1.36 0.15 0.00 -0.53 0.00 0.00 54.58 53.05 3lcd n ASN 862 Cb 0.47 1.00 0.35 0.00 -2.08 0.00 0.00 39.78 39.51 3lcd n ASN 862 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 3lcd h SER 863 N 0.63 0.44 -0.73 0.53 0.02 -2.00 -0.51 113.55 111.93 3lcd h SER 863 Ca -0.09 0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3lcd h SER 863 Cb 0.38 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 3lcd h SER 863 CO 0.12 0.01 0.45 0.11 -1.14 0.00 0.00 176.83 176.38 3lcd h LYS 864 N 0.44 0.98 -0.15 3.45 6.56 -1.96 -2.06 116.57 123.82 3lcd h LYS 864 Ca 0.60 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 60.09 3lcd h LYS 864 Cb 1.17 -0.21 -0.01 0.00 -0.57 0.00 0.00 32.23 32.61 3lcd h LYS 864 CO -0.53 0.68 0.03 0.35 -2.06 0.00 0.00 179.45 177.93 3lcd h PHE 865 N 0.99 0.26 -0.85 -1.35 3.57 -1.31 -1.97 116.94 116.28 3lcd h PHE 865 Ca 0.26 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.72 3lcd h PHE 865 Cb -0.05 -0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.57 3lcd h PHE 865 CO -0.01 0.41 0.49 1.88 -2.23 0.00 0.00 178.31 178.84 3lcd h TYR 866 N 0.04 1.14 -0.11 0.41 0.99 -1.33 -1.27 116.97 116.84 3lcd h TYR 866 Ca 0.05 -0.01 0.01 0.00 2.00 0.00 0.00 58.73 60.78 3lcd h TYR 866 Cb 0.28 -0.37 -0.01 0.00 1.00 0.00 0.00 36.73 37.63 3lcd h TYR 866 CO 0.01 0.77 0.02 0.87 -0.00 0.00 0.00 178.16 179.83 3lcd h LYS 867 N 1.17 0.06 -0.29 4.88 1.57 -1.26 -0.41 116.57 122.30 3lcd h LYS 867 Ca 0.30 -0.00 0.05 0.00 -1.87 0.00 0.00 60.65 59.13 3lcd h LYS 867 Cb -0.01 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.24 3lcd h LYS 867 CO -0.05 0.04 0.00 -0.07 -0.57 0.00 0.00 179.45 178.80 3lcd h LEU 868 N 0.06 -0.11 -0.16 2.94 3.38 -0.90 0.84 115.31 121.36 3lcd h LEU 868 Ca 0.05 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3lcd h LEU 868 Cb 0.04 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 3lcd h LEU 868 CO -0.07 -0.02 0.10 0.58 0.09 0.00 0.00 178.44 179.12 3lcd h VAL 869 N 0.09 1.05 -0.48 1.22 2.07 -1.10 -0.04 116.25 119.05 3lcd h VAL 869 Ca 0.14 -0.10 -0.05 0.00 0.82 0.00 0.00 66.70 67.51 3lcd h VAL 869 Cb 0.18 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 3lcd h VAL 869 CO -0.23 0.05 0.08 0.50 0.02 0.00 0.00 177.57 177.99 3lcd h LYS 870 N 0.21 0.74 -0.03 1.57 3.64 -0.69 -2.50 116.57 119.52 3lcd h LYS 870 Ca 0.06 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3lcd h LYS 870 Cb -0.01 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 3lcd h LYS 870 CO -0.01 0.70 0.00 -0.25 -2.27 0.00 0.00 179.45 177.62 3lcd n ASP 871 N -4.27 0.48 0.00 4.20 8.00 0.25 -4.91 116.55 120.30 3lcd n ASP 871 Ca 0.03 -1.32 0.00 0.00 0.71 0.00 0.00 54.79 54.22 3lcd n ASP 871 Cb 0.24 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 3lcd n ASP 871 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3lcd n GLY 872 N 0.98 0.94 3.76 0.44 0.00 -0.78 -5.05 105.19 105.49 3lcd n GLY 872 Ca 0.19 -0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 3lcd n GLY 872 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3lcd s TYR 873 N -2.00 2.78 0.05 1.61 5.04 -0.10 -5.02 117.35 119.71 3lcd s TYR 873 Ca 0.00 1.06 0.04 0.00 -2.44 0.00 0.00 57.07 55.73 3lcd s TYR 873 Cb 0.00 -3.95 -0.02 0.00 0.35 0.00 0.00 41.96 38.33 3lcd s TYR 873 CO 0.00 -2.96 -0.13 -0.65 -1.34 0.00 0.00 175.55 170.47 3lcd s GLN 874 N -1.25 0.84 0.63 4.97 -0.21 -1.26 -4.69 119.66 118.69 3lcd s GLN 874 Ca 0.57 -0.78 -0.18 0.00 0.02 0.00 0.00 55.36 54.98 3lcd s GLN 874 Cb -0.45 -0.82 -0.02 0.00 1.00 0.00 0.00 33.01 32.72 3lcd s GLN 874 CO 0.53 0.20 1.29 -1.64 -2.12 0.00 0.00 175.29 173.56 3lcd s MET 875 N -1.28 2.64 0.67 2.91 -1.94 -1.26 -4.99 119.30 116.04 3lcd s MET 875 Ca -0.00 2.06 -0.11 0.00 -1.71 0.00 0.00 55.69 55.93 3lcd s MET 875 Cb -0.08 -1.89 -0.01 0.00 2.01 0.00 0.00 34.83 34.86 3lcd s MET 875 CO 0.01 -1.53 1.05 0.00 -0.01 0.00 0.00 175.02 174.54 3lcd s ALA 876 N -1.40 2.77 0.01 3.03 0.00 -1.26 -4.95 121.76 119.96 3lcd s ALA 876 Ca 0.81 0.07 -0.34 0.00 0.00 0.00 0.00 51.96 52.51 3lcd s ALA 876 Cb -0.37 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.47 3lcd s ALA 876 CO 0.40 -1.08 1.79 0.94 0.00 0.00 0.00 175.76 177.81 3lcd n GLN 877 N -2.97 2.25 -1.31 0.00 7.27 -1.26 -4.96 117.38 116.39 3lcd n GLN 877 Ca 0.07 0.82 -0.30 0.00 0.07 0.00 0.00 57.00 57.66 3lcd n GLN 877 Cb 0.54 -2.65 0.11 0.00 2.41 0.00 0.00 30.24 30.65 3lcd n GLN 877 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3lcd s PRO 878 N 3.02 1.72 0.18 3.69 0.04 -1.26 -4.95 135.00 137.44 3lcd s PRO 878 Ca 0.88 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.64 3lcd s PRO 878 Cb -0.66 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 32.20 3lcd s PRO 878 CO 0.46 -1.93 1.72 0.00 0.04 0.00 0.00 177.00 177.29 3lcd h ALA 879 N -1.33 0.55 -0.69 8.56 0.00 -1.93 -2.94 119.26 121.48 3lcd h ALA 879 Ca -0.47 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3lcd h ALA 879 Cb 1.27 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.19 3lcd h ALA 879 CO 0.55 -0.31 0.00 1.19 0.00 0.00 0.00 179.25 180.68 3lcd n PHE 880 N -5.11 0.97 -3.06 0.00 3.01 -1.01 -4.91 117.46 107.35 3lcd n PHE 880 Ca 0.05 -0.51 -0.41 0.00 1.01 0.00 0.00 57.45 57.59 3lcd n PHE 880 Cb 0.24 -0.02 -0.06 0.00 -0.01 0.00 0.00 39.48 39.62 3lcd n PHE 880 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3lcd s ALA 881 N -1.07 3.62 1.01 4.37 0.00 -1.11 -4.97 121.76 123.61 3lcd s ALA 881 Ca 0.47 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.94 3lcd s ALA 881 Cb 0.25 -3.09 0.20 0.00 0.00 0.00 0.00 23.12 20.48 3lcd s ALA 881 CO 0.31 -0.84 1.08 -2.14 0.00 0.00 0.00 175.76 174.18 3lcd s PRO 882 N 2.58 0.33 0.18 0.00 0.02 -1.26 -4.78 135.00 132.06 3lcd s PRO 882 Ca 0.28 1.08 -0.13 0.00 0.02 0.00 0.00 61.00 62.24 3lcd s PRO 882 Cb -0.15 -1.68 0.12 0.00 0.02 0.00 0.00 34.50 32.80 3lcd s PRO 882 CO 0.08 -2.95 1.79 0.87 -0.33 0.00 0.00 177.00 176.46 3lcd h LYS 883 N -2.08 0.50 -0.95 5.54 1.57 -1.99 -2.04 116.57 117.12 3lcd h LYS 883 Ca -0.52 -0.03 0.14 0.00 -1.87 0.00 0.00 60.65 58.37 3lcd h LYS 883 Cb 1.30 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 33.42 3lcd h LYS 883 CO 0.48 0.33 0.60 -0.91 -0.57 0.00 0.00 179.45 179.39 3lcd h ASN 884 N 0.51 0.78 0.25 0.86 2.35 -1.99 0.57 115.58 118.91 3lcd h ASN 884 Ca 0.21 0.05 -0.20 0.00 -0.55 0.00 0.00 56.30 55.81 3lcd h ASN 884 Cb 0.10 -0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 3lcd h ASN 884 CO -0.14 0.39 -0.81 0.40 -1.65 0.00 0.00 177.43 175.63 3lcd h ILE 885 N 0.82 1.38 -0.35 2.81 1.08 -1.74 -2.13 117.51 119.38 3lcd h ILE 885 Ca 0.48 -2.23 -0.04 0.00 -0.39 0.00 0.00 64.86 62.67 3lcd h ILE 885 Cb 0.65 2.21 -0.01 0.00 -3.07 0.00 0.00 36.82 36.59 3lcd h ILE 885 CO -0.24 0.67 0.05 0.22 -0.69 0.00 0.00 178.15 178.16 3lcd h TYR 886 N 0.28 0.63 -0.82 1.37 3.20 -0.72 -0.62 116.97 120.29 3lcd h TYR 886 Ca -0.05 -0.09 0.09 0.00 3.14 0.00 0.00 58.73 61.82 3lcd h TYR 886 Cb 1.41 -0.17 -0.07 0.00 1.54 0.00 0.00 36.73 39.43 3lcd h TYR 886 CO 0.05 0.65 0.47 0.77 -1.64 0.00 0.00 178.16 178.47 3lcd h SER 887 N 0.42 0.69 -0.58 -2.11 0.02 -0.87 0.26 113.55 111.38 3lcd h SER 887 Ca 0.11 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3lcd h SER 887 Cb 0.36 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.78 3lcd h SER 887 CO 0.01 0.40 0.31 0.40 -1.14 0.00 0.00 176.83 176.81 3lcd h ILE 888 N 0.81 1.20 -0.07 3.27 2.04 -1.13 -1.51 117.51 122.11 3lcd h ILE 888 Ca 0.39 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3lcd h ILE 888 Cb 0.34 0.47 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 3lcd h ILE 888 CO -0.24 0.21 -0.18 0.24 0.00 0.00 0.00 178.15 178.19 3lcd h MET 889 N 0.79 -0.25 -0.55 2.37 2.86 0.40 -1.79 114.93 118.76 3lcd h MET 889 Ca 0.20 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.85 3lcd h MET 889 Cb 0.06 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3lcd h MET 889 CO -0.03 -0.16 0.31 1.96 1.06 0.00 0.00 176.91 180.05 3lcd h GLN 890 N -0.26 0.75 -0.07 1.72 4.20 -0.28 -1.18 115.11 119.99 3lcd h GLN 890 Ca 0.08 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 3lcd h GLN 890 Cb 0.37 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 3lcd h GLN 890 CO -0.22 0.55 -0.54 0.00 -0.67 0.00 0.00 178.83 177.95 3lcd h ALA 891 N 1.58 0.96 0.00 3.87 0.00 -1.03 -2.22 119.26 122.42 3lcd h ALA 891 Ca 0.20 -0.50 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3lcd h ALA 891 Cb 0.00 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3lcd h ALA 891 CO -0.03 0.68 -0.11 0.00 0.00 0.00 0.00 179.25 179.79 3lcd n TRP 893 N -3.40 2.33 -2.26 0.00 8.01 -0.84 -3.91 117.44 117.38 3lcd n TRP 893 Ca -0.01 -1.27 -0.41 0.00 -1.31 0.00 0.00 57.50 54.50 3lcd n TRP 893 Cb 0.28 -0.70 -0.03 0.00 -2.01 0.00 0.00 31.31 28.85 3lcd n TRP 893 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 3lcd s ALA 894 N -2.72 3.47 0.28 6.99 0.00 -1.10 -4.94 121.76 123.74 3lcd s ALA 894 Ca 0.48 1.11 0.06 0.00 0.00 0.00 0.00 51.96 53.62 3lcd s ALA 894 Cb 0.39 -3.43 0.40 0.00 0.00 0.00 0.00 23.12 20.49 3lcd s ALA 894 CO 0.11 -0.46 1.66 -0.07 0.00 0.00 0.00 175.76 177.00 3lcd h LEU 895 N 3.85 0.24 -8.85 0.00 3.38 -1.93 -3.40 115.31 108.61 3lcd h LEU 895 Ca -0.47 -0.11 -0.60 0.00 0.09 0.00 0.00 57.88 56.79 3lcd h LEU 895 Cb 1.22 -0.07 -0.10 0.00 0.09 0.00 0.00 40.66 41.80 3lcd h LEU 895 CO 0.68 0.68 0.52 -0.70 0.09 0.00 0.00 178.44 179.71 3lcd s GLU 896 N -4.02 3.86 0.35 1.13 2.56 -1.26 -4.84 118.70 116.48 3lcd s GLU 896 Ca -0.04 0.54 0.08 0.00 0.00 0.00 0.00 54.97 55.55 3lcd s GLU 896 Cb 0.13 -3.79 0.79 0.00 2.00 0.00 0.00 34.13 33.27 3lcd s GLU 896 CO 0.78 -0.87 1.88 -1.35 -0.56 0.00 0.00 175.26 175.14 3lcd h PRO 897 N 8.38 0.70 0.00 4.30 0.11 -1.94 -1.15 132.00 142.39 3lcd h PRO 897 Ca -0.24 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3lcd h PRO 897 Cb 1.08 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3lcd h PRO 897 CO 0.95 0.46 0.00 0.25 -0.21 0.00 0.00 178.00 179.45 3lcd n THR 898 N -4.54 0.75 0.93 -1.15 -2.24 -1.26 -2.02 114.28 104.74 3lcd n THR 898 Ca 0.16 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 62.15 3lcd n THR 898 Cb 0.42 -0.98 0.46 0.00 -2.10 0.00 0.00 70.33 68.13 3lcd n THR 898 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 3lcd n HIS 899 N -2.21 0.14 -2.64 4.78 8.25 -0.44 -4.85 115.22 118.25 3lcd n HIS 899 Ca 0.03 0.04 -0.34 0.00 -0.26 0.00 0.00 57.72 57.20 3lcd n HIS 899 Cb 0.29 -0.49 -0.05 0.00 1.12 0.00 0.00 29.99 30.86 3lcd n HIS 899 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3lcd s ARG 900 N -3.02 3.96 0.81 -0.41 0.52 -0.86 -4.92 118.95 115.03 3lcd s ARG 900 Ca 0.12 1.26 -0.11 0.00 -0.52 0.00 0.00 55.73 56.48 3lcd s ARG 900 Cb 0.17 -2.13 0.08 0.00 0.52 0.00 0.00 34.95 33.60 3lcd s ARG 900 CO 0.60 -0.28 1.10 -1.25 0.02 0.00 0.00 175.30 175.48 3lcd s PRO 901 N -3.24 1.91 0.48 3.54 0.04 -1.26 -5.03 135.00 131.43 3lcd s PRO 901 Ca 0.65 1.13 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 3lcd s PRO 901 Cb -0.13 -1.86 -0.06 0.00 0.04 0.00 0.00 34.50 32.49 3lcd s PRO 901 CO 0.18 -1.88 0.86 0.95 0.04 0.00 0.00 177.00 177.15 3lcd s THR 902 N -2.88 4.75 0.41 1.26 -4.23 -1.26 -4.95 115.64 108.74 3lcd s THR 902 Ca 0.62 0.70 0.11 0.00 -1.18 0.00 0.00 61.69 61.94 3lcd s THR 902 Cb -0.18 -3.78 0.31 0.00 1.34 0.00 0.00 72.50 70.19 3lcd s THR 902 CO 0.56 -0.74 1.98 -0.26 -0.54 0.00 0.00 174.62 175.62 3lcd h PHE 903 N 0.67 0.53 -0.38 3.99 0.04 -1.94 -0.86 116.94 118.99 3lcd h PHE 903 Ca -0.46 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.27 3lcd h PHE 903 Cb 1.19 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 39.15 3lcd h PHE 903 CO 0.62 0.27 0.03 0.37 -0.60 0.00 0.00 178.31 178.99 3lcd h GLN 904 N 0.51 0.65 -0.91 1.51 5.75 -1.92 -1.25 115.11 119.46 3lcd h GLN 904 Ca 0.28 -0.19 0.02 0.00 -0.15 0.00 0.00 58.65 58.60 3lcd h GLN 904 Cb 0.42 -0.07 -0.05 0.00 1.07 0.00 0.00 27.48 28.85 3lcd h GLN 904 CO -0.08 0.73 0.60 1.96 -2.65 0.00 0.00 178.83 179.39 3lcd h GLN 905 N 0.49 1.17 -0.57 1.69 4.20 -1.75 -2.19 115.11 118.15 3lcd h GLN 905 Ca 0.11 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.72 3lcd h GLN 905 Cb 0.42 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 27.91 3lcd h GLN 905 CO 0.01 0.77 0.21 0.82 -0.67 0.00 0.00 178.83 179.97 3lcd h ILE 906 N 1.20 1.21 -0.99 2.54 2.04 -0.90 -1.16 117.51 121.45 3lcd h ILE 906 Ca 0.34 -0.68 0.01 0.00 1.00 0.00 0.00 64.86 65.53 3lcd h ILE 906 Cb -0.09 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 3lcd h ILE 906 CO -0.09 0.27 0.65 0.00 0.00 0.00 0.00 178.15 178.98 3lcd h SER 908 N 1.35 0.88 -0.35 0.00 0.02 -0.70 -1.62 113.55 113.13 3lcd h SER 908 Ca 0.36 -0.19 -0.09 0.00 -0.84 0.00 0.00 61.79 61.03 3lcd h SER 908 Cb -0.15 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.15 3lcd h SER 908 CO -0.08 0.89 -0.13 -0.26 -1.14 0.00 0.00 176.83 176.12 3lcd h PHE 909 N 0.87 0.80 0.00 3.45 0.04 -0.84 -3.19 116.94 118.07 3lcd h PHE 909 Ca 0.18 -0.19 -0.11 0.00 2.80 0.00 0.00 57.97 60.65 3lcd h PHE 909 Cb 0.40 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.34 3lcd h PHE 909 CO 0.02 0.88 -0.70 -0.07 -0.60 0.00 0.00 178.31 177.84 3lcd h LEU 910 N 0.48 0.00 -1.95 1.54 3.38 -1.35 -2.52 115.31 114.90 3lcd h LEU 910 Ca 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 3lcd h LEU 910 Cb 0.65 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.40 3lcd h LEU 910 CO 0.04 0.47 -0.11 -0.61 0.09 0.00 0.00 178.44 178.32 3lcd h GLN 911 N 0.00 0.00 0.04 1.13 4.15 -1.33 -3.19 115.11 115.90 3lcd h GLN 911 Ca -0.04 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 59.03 3lcd h GLN 911 Cb 1.39 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 29.03 3lcd h GLN 911 CO 0.05 0.11 -2.09 -1.91 -1.93 0.00 0.00 178.83 173.07 3lcd n GLU 912 N -3.86 0.69 0.00 1.69 4.07 -1.16 -5.11 120.64 116.96 3lcd n GLU 912 Ca -0.02 0.20 0.03 0.00 -0.06 0.00 0.00 57.16 57.30 3lcd n GLU 912 Cb 0.21 -1.66 0.17 0.00 -0.06 0.00 0.00 31.44 30.10 3lcd n GLU 912 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11