#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1luf s ASN 561 N 0.00 5.61 0.29 1.96 3.84 -1.26 -4.98 114.94 120.41 1luf s ASN 561 Ca 0.00 -1.66 0.01 0.00 0.21 0.00 0.00 52.86 51.42 1luf s ASN 561 Cb 0.00 -1.98 0.55 0.00 -0.55 0.00 0.00 41.25 39.27 1luf s ASN 561 CO 0.00 -0.58 1.87 -0.65 -2.79 0.00 0.00 177.10 174.96 1luf h PRO 562 N 8.39 0.98 -0.00 0.43 0.11 -2.05 -1.58 132.00 138.27 1luf h PRO 562 Ca -0.22 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 65.84 1luf h PRO 562 Cb 1.08 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1luf h PRO 562 CO 0.78 0.65 0.00 -0.22 -0.21 0.00 0.00 178.00 179.00 1luf h LYS 563 N 1.01 0.00 -0.74 1.05 1.63 -1.99 -0.37 116.57 117.16 1luf h LYS 563 Ca 0.44 -0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 60.19 1luf h LYS 563 Cb 0.36 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.96 1luf h LYS 563 CO -0.20 0.05 0.25 -0.07 -3.45 0.00 0.00 179.45 176.03 1luf h LEU 564 N -0.04 1.06 -0.96 5.20 3.38 -1.88 -2.56 115.31 119.51 1luf h LEU 564 Ca 0.00 -0.20 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1luf h LEU 564 Cb 0.05 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1luf h LEU 564 CO -0.00 0.97 0.11 -0.07 0.09 0.00 0.00 178.44 179.54 1luf h LEU 565 N 1.09 0.81 -1.98 1.67 3.38 -1.10 -1.96 115.31 117.21 1luf h LEU 565 Ca 0.24 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1luf h LEU 565 Cb 0.27 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1luf h LEU 565 CO -0.01 0.81 -0.09 0.77 0.09 0.00 0.00 178.44 180.01 1luf h SER 566 N 0.83 0.00 0.15 -0.43 4.64 -0.67 -2.08 113.55 115.98 1luf h SER 566 Ca 0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1luf h SER 566 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1luf h SER 566 CO 0.00 0.09 -0.10 0.18 -0.87 0.00 0.00 176.83 176.13 1luf n LEU 567 N -3.49 0.98 -4.57 5.97 4.77 -0.75 -4.97 117.00 114.94 1luf n LEU 567 Ca -0.02 -0.27 -0.48 0.00 -0.03 0.00 0.00 56.01 55.21 1luf n LEU 567 Cb 0.23 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.20 1luf n LEU 567 CO 0.28 0.17 0.64 1.21 -1.33 0.00 0.00 177.39 178.37 1luf n GLU 568 N -0.44 1.09 -4.03 3.23 4.07 -0.78 -1.28 120.64 122.49 1luf n GLU 568 Ca 0.16 0.39 -0.15 0.00 -0.06 0.00 0.00 57.16 57.50 1luf n GLU 568 Cb 0.31 -1.83 -0.15 0.00 -0.06 0.00 0.00 31.44 29.71 1luf n GLU 568 CO 0.00 0.00 0.00 -0.47 -0.06 0.00 0.00 177.13 176.60 1luf s TYR 569 N -0.38 0.30 -0.13 4.31 5.04 0.11 -4.78 117.35 121.83 1luf s TYR 569 Ca 0.71 -0.05 -0.29 0.00 -2.44 0.00 0.00 57.07 55.00 1luf s TYR 569 Cb -0.84 -0.22 -0.06 0.00 0.35 0.00 0.00 41.96 41.18 1luf s TYR 569 CO 0.54 -0.02 2.09 -2.14 -1.34 0.00 0.00 175.55 174.68 1luf s PRO 570 N 0.08 3.53 0.30 4.97 0.02 -1.26 -4.45 135.00 138.19 1luf s PRO 570 Ca -0.00 2.21 0.03 0.00 0.02 0.00 0.00 61.00 63.26 1luf s PRO 570 Cb -0.03 -4.28 0.62 0.00 0.02 0.00 0.00 34.50 30.83 1luf s PRO 570 CO -0.00 -1.65 1.85 -0.09 -0.33 0.00 0.00 177.00 176.78 1luf h ARG 571 N 13.23 0.89 0.00 5.54 2.43 -1.96 -0.15 114.38 134.37 1luf h ARG 571 Ca -0.44 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 1luf h ARG 571 Cb 1.23 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.58 1luf h ARG 571 CO 0.96 0.59 0.00 0.09 -1.51 0.00 0.00 179.97 180.10 1luf n ASN 572 N -4.59 0.00 -0.02 -3.80 3.02 -1.26 -1.88 115.26 106.72 1luf n ASN 572 Ca 0.18 0.31 0.13 0.00 -0.03 0.00 0.00 54.58 55.16 1luf n ASN 572 Cb 0.37 -0.41 0.34 0.00 -0.61 0.00 0.00 39.78 39.47 1luf n ASN 572 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1luf n ASN 573 N -1.41 0.46 -4.62 6.41 5.03 -0.07 -4.86 115.26 116.20 1luf n ASN 573 Ca 0.06 -0.19 -0.43 0.00 0.87 0.00 0.00 54.58 54.88 1luf n ASN 573 Cb 0.16 0.10 -0.02 0.00 -1.02 0.00 0.00 39.78 39.00 1luf n ASN 573 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1luf s ILE 574 N -2.94 3.94 -0.48 2.41 1.01 -0.79 -4.28 121.20 120.08 1luf s ILE 574 Ca 0.13 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 61.66 1luf s ILE 574 Cb 0.18 -4.04 0.06 0.00 0.01 0.00 0.00 42.46 38.68 1luf s ILE 574 CO 0.65 -0.50 0.44 -0.70 0.00 0.00 0.00 174.94 174.83 1luf s GLU 575 N 4.55 3.01 0.33 2.79 2.12 -0.27 -4.95 118.70 126.29 1luf s GLU 575 Ca 0.62 -1.21 -0.28 0.00 0.36 0.00 0.00 54.97 54.47 1luf s GLU 575 Cb -0.18 -4.11 -0.13 0.00 0.26 0.00 0.00 34.13 29.97 1luf s GLU 575 CO 0.27 -1.05 1.17 0.98 -0.54 0.00 0.00 175.26 176.09 1luf n TYR 576 N 5.43 1.84 0.05 5.30 9.36 -1.26 -0.77 117.16 137.11 1luf n TYR 576 Ca -0.11 0.60 -0.00 0.00 3.32 0.00 0.00 57.90 61.71 1luf n TYR 576 Cb 0.44 -2.34 -0.00 0.00 -0.63 0.00 0.00 39.34 36.81 1luf n TYR 576 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1luf n VAL 577 N 0.21 1.16 -3.50 2.97 0.31 0.14 -4.83 118.33 114.78 1luf n VAL 577 Ca 0.07 0.38 -0.15 0.00 -0.01 0.00 0.00 64.34 64.63 1luf n VAL 577 Cb 0.35 -1.59 -0.05 0.00 -0.91 0.00 0.00 33.84 31.64 1luf n VAL 577 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1luf s ARG 578 N -2.01 1.04 0.35 5.55 1.70 -1.14 -5.00 118.95 119.45 1luf s ARG 578 Ca -0.00 0.06 -0.25 0.00 -0.47 0.00 0.00 55.73 55.06 1luf s ARG 578 Cb 0.00 0.49 -0.09 0.00 -0.57 0.00 0.00 34.95 34.77 1luf s ARG 578 CO 0.00 -0.36 1.01 -0.51 -1.08 0.00 0.00 175.30 174.36 1luf s ASP 579 N -1.59 7.06 -0.19 -2.89 1.01 -1.26 -0.85 116.67 117.96 1luf s ASP 579 Ca -0.06 1.98 -0.03 0.00 0.71 0.00 0.00 52.55 55.14 1luf s ASP 579 Cb -0.00 -2.59 -0.10 0.00 1.01 0.00 0.00 42.92 41.24 1luf s ASP 579 CO 0.03 -0.28 -0.20 -0.38 0.21 0.00 0.00 175.17 174.56 1luf n ILE 580 N 0.33 1.04 0.00 0.77 5.41 -0.02 -4.84 119.36 122.06 1luf n ILE 580 Ca 0.03 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.44 1luf n ILE 580 Cb 0.49 -1.40 0.00 0.00 -0.71 0.00 0.00 39.64 38.02 1luf n ILE 580 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1luf n GLY 581 N 2.28 -0.82 3.14 7.39 0.00 -0.84 -5.01 105.19 111.33 1luf n GLY 581 Ca -0.35 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.36 1luf n GLY 581 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1luf s GLU 582 N -2.00 2.11 0.17 1.61 2.02 -1.26 -0.88 118.70 120.47 1luf s GLU 582 Ca 0.00 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.34 1luf s GLU 582 Cb 0.00 -1.74 0.01 0.00 0.10 0.00 0.00 34.13 32.49 1luf s GLU 582 CO 0.00 0.20 0.05 0.41 0.02 0.00 0.00 175.26 175.94 1luf n GLY 583 N 3.34 3.60 0.26 -1.39 0.00 0.18 -4.79 105.19 106.39 1luf n GLY 583 Ca -0.19 -2.24 -0.09 0.00 0.00 0.00 0.00 46.02 43.50 1luf n GLY 583 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1luf h ALA 584 N 0.95 0.72 -0.54 4.61 0.00 -1.94 -3.01 119.26 120.05 1luf h ALA 584 Ca -0.13 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1luf h ALA 584 Cb 0.42 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1luf h ALA 584 CO 0.21 0.44 0.30 0.74 0.00 0.00 0.00 179.25 180.94 1luf h PHE 585 N 0.78 0.74 0.00 0.00 0.04 -1.91 -3.47 116.94 113.11 1luf h PHE 585 Ca 0.17 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.92 1luf h PHE 585 Cb 0.37 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 38.29 1luf h PHE 585 CO 0.03 0.54 0.00 0.41 -0.60 0.00 0.00 178.31 178.69 1luf n GLY 586 N -1.03 -0.56 3.90 -1.45 0.00 -1.14 -0.64 105.19 104.27 1luf n GLY 586 Ca 0.03 -0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.68 1luf n GLY 586 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1luf s ARG 587 N -0.55 3.22 -0.10 1.61 1.70 -1.04 0.52 118.95 124.31 1luf s ARG 587 Ca 0.00 -0.83 0.01 0.00 -0.47 0.00 0.00 55.73 54.45 1luf s ARG 587 Cb 0.00 -2.78 0.02 0.00 -0.57 0.00 0.00 34.95 31.62 1luf s ARG 587 CO 0.00 0.45 -0.13 0.08 -1.08 0.00 0.00 175.30 174.62 1luf s VAL 588 N -1.95 1.31 0.06 4.99 1.01 -0.06 -0.23 120.40 125.53 1luf s VAL 588 Ca 0.33 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.74 1luf s VAL 588 Cb -0.09 -1.22 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 1luf s VAL 588 CO 0.27 0.40 0.09 0.72 0.00 0.00 0.00 175.10 176.58 1luf s PHE 589 N 1.09 0.27 0.14 5.22 -0.12 -0.30 -0.84 117.98 123.44 1luf s PHE 589 Ca -0.05 -0.67 -0.22 0.00 -0.05 0.00 0.00 56.93 55.93 1luf s PHE 589 Cb -0.14 -0.18 -0.08 0.00 -0.63 0.00 0.00 43.02 41.99 1luf s PHE 589 CO -0.02 -0.42 0.69 -1.14 -0.05 0.00 0.00 175.22 174.28 1luf s GLN 590 N -3.30 4.39 0.18 1.99 0.74 -0.03 0.34 119.66 123.97 1luf s GLN 590 Ca 0.01 0.96 -0.16 0.00 0.05 0.00 0.00 55.36 56.22 1luf s GLN 590 Cb 0.03 -3.19 0.02 0.00 1.10 0.00 0.00 33.01 30.97 1luf s GLN 590 CO -0.08 0.57 0.47 0.00 -0.55 0.00 0.00 175.29 175.70 1luf s ALA 591 N -1.20 -0.76 -0.11 1.58 0.00 -0.48 -0.68 121.76 120.11 1luf s ALA 591 Ca 0.34 -0.33 -0.05 0.00 0.00 0.00 0.00 51.96 51.92 1luf s ALA 591 Cb -0.21 0.84 -0.04 0.00 0.00 0.00 0.00 23.12 23.71 1luf s ALA 591 CO 0.23 -0.76 0.10 1.03 0.00 0.00 0.00 175.76 176.36 1luf s ARG 592 N -3.88 3.31 -0.40 0.00 0.52 0.05 -0.61 118.95 117.94 1luf s ARG 592 Ca 0.10 -0.22 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 1luf s ARG 592 Cb 0.00 -3.07 0.11 0.00 0.52 0.00 0.00 34.95 32.51 1luf s ARG 592 CO -0.03 0.75 0.15 0.00 0.02 0.00 0.00 175.30 176.19 1luf s ALA 593 N -0.97 2.56 0.28 2.13 0.00 -0.08 -1.11 121.76 124.57 1luf s ALA 593 Ca 0.14 -2.56 -0.30 0.00 0.00 0.00 0.00 51.96 49.24 1luf s ALA 593 Cb -0.12 -1.93 -0.12 0.00 0.00 0.00 0.00 23.12 20.95 1luf s ALA 593 CO 0.03 -1.85 1.56 -2.30 0.00 0.00 0.00 175.76 173.21 1luf n PRO 594 N 3.94 2.56 -1.50 0.00 -0.02 -1.26 -1.55 135.00 137.17 1luf n PRO 594 Ca 0.04 0.91 -0.17 0.00 -2.02 0.00 0.00 63.50 62.26 1luf n PRO 594 Cb 0.38 -2.67 -0.07 0.00 -0.02 0.00 0.00 33.50 31.11 1luf n PRO 594 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1luf n GLY 595 N 2.26 1.67 0.12 -1.23 0.00 -0.68 -4.88 105.19 102.45 1luf n GLY 595 Ca 0.10 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.92 1luf n GLY 595 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1luf h LEU 596 N 0.00 0.29 -8.29 0.99 5.85 -1.77 -3.38 115.31 109.01 1luf h LEU 596 Ca -0.35 -0.19 -0.67 0.00 0.84 0.00 0.00 57.88 57.50 1luf h LEU 596 Cb 1.21 -0.08 -0.29 0.00 0.37 0.00 0.00 40.66 41.88 1luf h LEU 596 CO 0.52 0.41 -0.69 -0.76 -0.34 0.00 0.00 178.44 177.57 1luf s LEU 597 N -9.77 3.38 0.54 2.25 1.43 -1.26 -5.01 118.68 110.25 1luf s LEU 597 Ca -0.14 -0.72 0.41 0.00 -1.03 0.00 0.00 54.13 52.66 1luf s LEU 597 Cb 0.07 -1.76 1.61 0.00 0.03 0.00 0.00 46.19 46.14 1luf s LEU 597 CO 0.71 -0.13 1.71 -0.65 0.23 0.00 0.00 176.35 178.22 1luf h PRO 598 N 8.11 0.01 -0.31 1.29 0.11 -2.00 -2.36 132.00 136.85 1luf h PRO 598 Ca -0.34 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1luf h PRO 598 Cb 1.12 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1luf h PRO 598 CO 0.59 0.01 0.00 2.48 -0.21 0.00 0.00 178.00 180.87 1luf n TYR 599 N -4.12 0.42 -3.82 0.65 0.18 -1.26 -4.84 117.16 104.36 1luf n TYR 599 Ca 0.34 -0.21 -0.12 0.00 1.88 0.00 0.00 57.90 59.79 1luf n TYR 599 Cb 1.55 0.00 -0.10 0.00 -0.38 0.00 0.00 39.34 40.41 1luf n TYR 599 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1luf s GLU 600 N -1.58 0.43 0.28 -3.48 -1.05 -0.89 -5.06 118.70 107.36 1luf s GLU 600 Ca 0.21 -0.07 0.03 0.00 -0.15 0.00 0.00 54.97 54.98 1luf s GLU 600 Cb 0.11 0.19 0.63 0.00 -0.44 0.00 0.00 34.13 34.62 1luf s GLU 600 CO 0.15 -0.10 1.79 -1.00 0.95 0.00 0.00 175.26 177.05 1luf h PRO 601 N 4.79 0.76 -3.18 -4.83 0.13 -1.88 -3.40 132.00 124.40 1luf h PRO 601 Ca -0.28 -0.05 -0.06 0.00 -0.87 0.00 0.00 66.00 64.74 1luf h PRO 601 Cb 1.19 -0.17 -0.15 0.00 0.13 0.00 0.00 31.00 32.00 1luf h PRO 601 CO 0.39 0.51 -0.08 -0.59 -0.23 0.00 0.00 178.00 178.00 1luf s PHE 602 N -5.92 -0.25 -0.10 1.56 -0.71 -1.26 -1.69 117.98 109.60 1luf s PHE 602 Ca -0.12 0.09 0.03 0.00 -1.04 0.00 0.00 56.93 55.89 1luf s PHE 602 Cb 0.23 0.25 0.01 0.00 -1.21 0.00 0.00 43.02 42.30 1luf s PHE 602 CO 0.80 -0.64 -0.19 0.99 -1.34 0.00 0.00 175.22 174.83 1luf s THR 603 N -3.11 1.74 0.26 -4.49 2.01 -0.60 -4.90 115.64 106.55 1luf s THR 603 Ca -0.01 -0.82 -0.30 0.00 0.31 0.00 0.00 61.69 60.87 1luf s THR 603 Cb 0.00 -1.54 -0.09 0.00 0.01 0.00 0.00 72.50 70.89 1luf s THR 603 CO -0.07 0.49 1.16 -0.32 -0.69 0.00 0.00 174.62 175.19 1luf s MET 604 N 0.59 4.55 0.05 4.92 1.75 -1.26 -0.90 119.30 129.00 1luf s MET 604 Ca -0.14 1.89 -0.01 0.00 -1.25 0.00 0.00 55.69 56.17 1luf s MET 604 Cb -0.17 -3.19 -0.04 0.00 2.84 0.00 0.00 34.83 34.28 1luf s MET 604 CO 0.04 0.06 -0.02 0.14 -0.65 0.00 0.00 175.02 174.60 1luf s VAL 605 N -0.81 0.21 -0.29 10.11 -7.23 0.22 -3.56 120.40 119.05 1luf s VAL 605 Ca 0.48 -1.72 -0.09 0.00 -1.81 0.00 0.00 61.98 58.84 1luf s VAL 605 Cb -0.33 -1.43 -0.02 0.00 0.56 0.00 0.00 36.38 35.16 1luf s VAL 605 CO 0.41 -0.95 0.14 0.00 -0.31 0.00 0.00 175.10 174.40 1luf s ALA 606 N -3.75 3.29 -0.27 1.32 0.00 -0.13 -1.38 121.76 120.84 1luf s ALA 606 Ca 0.05 -1.29 -0.12 0.00 0.00 0.00 0.00 51.96 50.60 1luf s ALA 606 Cb 0.07 -2.33 -0.05 0.00 0.00 0.00 0.00 23.12 20.81 1luf s ALA 606 CO -0.09 -0.77 0.24 0.08 0.00 0.00 0.00 175.76 175.22 1luf s VAL 607 N 1.63 5.28 -0.40 0.00 1.01 0.15 -1.02 120.40 127.06 1luf s VAL 607 Ca 0.05 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1luf s VAL 607 Cb -0.16 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1luf s VAL 607 CO 0.06 0.24 0.28 -0.75 0.00 0.00 0.00 175.10 174.94 1luf s LYS 608 N 1.72 3.04 -0.08 2.72 2.20 -0.01 -1.15 119.74 128.17 1luf s LYS 608 Ca 0.10 -0.97 -0.00 0.00 -0.36 0.00 0.00 55.97 54.74 1luf s LYS 608 Cb -0.16 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.20 1luf s LYS 608 CO 0.10 -0.70 -0.05 1.41 -0.36 0.00 0.00 175.35 175.74 1luf s MET 609 N 1.68 2.87 -0.20 4.03 -2.45 0.68 -0.82 119.30 125.09 1luf s MET 609 Ca 0.05 -0.52 -0.14 0.00 -1.25 0.00 0.00 55.69 53.83 1luf s MET 609 Cb -0.19 -2.66 -0.04 0.00 1.25 0.00 0.00 34.83 33.19 1luf s MET 609 CO 0.10 0.64 0.33 -1.17 1.05 0.00 0.00 175.02 175.97 1luf s LEU 610 N -0.73 4.16 -0.27 4.11 2.96 -0.11 -2.51 118.68 126.29 1luf s LEU 610 Ca 0.11 0.43 -0.42 0.00 -0.22 0.00 0.00 54.13 54.03 1luf s LEU 610 Cb -0.11 -2.41 -0.18 0.00 0.50 0.00 0.00 46.19 43.99 1luf s LEU 610 CO 0.02 -0.01 1.54 0.29 -1.32 0.00 0.00 176.35 176.87 1luf n LYS 611 N 4.25 0.56 -0.04 1.98 5.02 0.18 -4.03 118.16 126.09 1luf n LYS 611 Ca -0.10 0.21 0.23 0.00 -2.02 0.00 0.00 58.31 56.63 1luf n LYS 611 Cb 0.51 -1.79 0.72 0.00 -0.02 0.00 0.00 35.03 34.45 1luf n LYS 611 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 1luf h GLU 612 N 5.46 0.00 -0.54 1.97 4.81 -1.95 0.13 114.58 124.46 1luf h GLU 612 Ca -0.46 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.66 1luf h GLU 612 Cb 1.36 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.67 1luf h GLU 612 CO 0.90 0.00 0.11 -0.85 -0.73 0.00 0.00 179.01 178.44 1luf n GLU 613 N -4.18 3.63 -1.43 1.92 0.00 -1.26 -4.98 120.64 114.34 1luf n GLU 613 Ca 0.12 -3.06 -0.34 0.00 0.00 0.00 0.00 57.16 53.88 1luf n GLU 613 Cb 0.74 -2.10 0.09 0.00 0.00 0.00 0.00 31.44 30.17 1luf n GLU 613 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1luf s ALA 614 N -2.93 2.11 0.92 -1.84 0.00 0.46 -4.99 121.76 115.50 1luf s ALA 614 Ca 0.51 0.89 -0.12 0.00 0.00 0.00 0.00 51.96 53.24 1luf s ALA 614 Cb 0.41 -3.48 0.14 0.00 0.00 0.00 0.00 23.12 20.19 1luf s ALA 614 CO 0.12 -1.89 1.09 -1.54 0.00 0.00 0.00 175.76 173.54 1luf s SER 615 N -2.01 3.28 0.37 0.00 1.04 -1.26 -4.85 113.70 110.28 1luf s SER 615 Ca 0.75 1.51 0.08 0.00 0.48 0.00 0.00 55.95 58.77 1luf s SER 615 Cb -0.29 -2.18 0.74 0.00 0.10 0.00 0.00 66.02 64.38 1luf s SER 615 CO 0.45 -2.76 1.91 0.00 0.98 0.00 0.00 173.24 173.82 1luf h ALA 616 N -1.64 1.48 -0.01 5.32 0.00 -2.00 -1.99 119.26 120.42 1luf h ALA 616 Ca -0.50 -0.20 -0.24 0.00 0.00 0.00 0.00 54.91 53.97 1luf h ALA 616 Cb 1.29 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1luf h ALA 616 CO 0.54 0.37 -0.96 -0.44 0.00 0.00 0.00 179.25 178.76 1luf h ASP 617 N 0.30 0.66 0.05 0.00 3.32 -2.00 -2.61 116.42 116.14 1luf h ASP 617 Ca 0.06 -0.52 -0.10 0.00 0.02 0.00 0.00 57.03 56.49 1luf h ASP 617 Cb 0.36 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1luf h ASP 617 CO 0.02 1.32 -0.31 -0.03 -1.72 0.00 0.00 179.24 178.51 1luf h MET 618 N 0.30 0.40 -0.26 3.56 4.05 -1.87 -2.30 114.93 118.80 1luf h MET 618 Ca -0.09 -0.16 -0.04 0.00 -0.28 0.00 0.00 59.70 59.12 1luf h MET 618 Cb 1.59 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.37 1luf h MET 618 CO 0.17 0.67 -0.00 0.37 0.23 0.00 0.00 176.91 178.35 1luf h GLN 619 N 0.34 0.47 -0.97 0.39 4.15 -1.34 -1.86 115.11 116.29 1luf h GLN 619 Ca 0.04 -0.15 0.05 0.00 0.77 0.00 0.00 58.65 59.36 1luf h GLN 619 Cb 0.73 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 1luf h GLN 619 CO 0.06 0.64 0.63 0.00 -1.93 0.00 0.00 178.83 178.23 1luf h ALA 620 N 0.82 1.41 -0.11 3.38 0.00 -1.22 -0.01 119.26 123.52 1luf h ALA 620 Ca 0.07 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1luf h ALA 620 Cb 0.43 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1luf h ALA 620 CO 0.01 0.47 0.05 -0.44 0.00 0.00 0.00 179.25 179.35 1luf h ASP 621 N 1.18 0.14 0.01 0.00 3.45 -1.20 0.39 116.42 120.39 1luf h ASP 621 Ca 0.40 -0.14 0.03 0.00 0.43 0.00 0.00 57.03 57.75 1luf h ASP 621 Cb 0.09 -0.04 -0.04 0.00 -0.56 0.00 0.00 39.33 38.78 1luf h ASP 621 CO -0.14 0.24 -0.25 0.15 -1.57 0.00 0.00 179.24 177.67 1luf h PHE 622 N 0.03 -0.68 -0.64 4.55 3.57 -0.52 0.15 116.94 123.40 1luf h PHE 622 Ca 0.04 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.51 1luf h PHE 622 Cb 0.14 0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.15 1luf h PHE 622 CO -0.02 -0.35 0.21 1.96 -2.23 0.00 0.00 178.31 177.88 1luf h GLN 623 N -0.40 0.98 -0.62 1.11 4.20 -0.97 -0.41 115.11 119.01 1luf h GLN 623 Ca 0.06 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 58.56 1luf h GLN 623 Cb 0.48 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 28.08 1luf h GLN 623 CO -0.22 0.83 0.30 0.00 -0.67 0.00 0.00 178.83 179.07 1luf h ARG 624 N 0.95 0.89 -0.52 1.46 3.08 -0.35 -0.01 114.38 119.87 1luf h ARG 624 Ca 0.21 -0.13 -0.07 0.00 0.07 0.00 0.00 59.98 60.06 1luf h ARG 624 Cb 0.26 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1luf h ARG 624 CO -0.01 0.71 0.04 0.93 -1.07 0.00 0.00 179.97 180.57 1luf h GLU 625 N 0.84 0.89 -0.36 0.04 5.08 -0.25 -2.76 114.58 118.06 1luf h GLU 625 Ca 0.21 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1luf h GLU 625 Cb 0.11 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1luf h GLU 625 CO -0.03 0.90 0.21 0.00 -1.00 0.00 0.00 179.01 179.09 1luf h ALA 626 N 0.96 0.46 -0.90 3.43 0.00 -0.75 -1.54 119.26 120.93 1luf h ALA 626 Ca 0.15 -0.06 0.14 0.00 0.00 0.00 0.00 54.91 55.14 1luf h ALA 626 Cb 0.46 -0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.02 1luf h ALA 626 CO 0.02 -0.03 0.51 0.00 0.00 0.00 0.00 179.25 179.74 1luf h ALA 627 N 1.09 1.36 -0.17 0.00 0.00 -0.83 0.10 119.26 120.81 1luf h ALA 627 Ca 0.13 0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1luf h ALA 627 Cb 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.72 1luf h ALA 627 CO -0.02 0.01 -0.27 -0.07 0.00 0.00 0.00 179.25 178.89 1luf h LEU 628 N 0.74 0.53 -1.00 0.00 3.38 -1.19 -3.25 115.31 114.53 1luf h LEU 628 Ca 0.47 -0.53 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 1luf h LEU 628 Cb 0.60 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.17 1luf h LEU 628 CO -0.33 0.96 0.41 0.24 0.09 0.00 0.00 178.44 179.82 1luf h MET 629 N 0.12 1.12 -0.97 1.13 2.86 -0.43 -2.97 114.93 115.79 1luf h MET 629 Ca 0.01 -0.14 0.23 0.00 -2.06 0.00 0.00 59.70 57.74 1luf h MET 629 Cb 0.85 -0.21 -0.08 0.00 0.06 0.00 0.00 31.60 32.22 1luf h MET 629 CO 0.06 0.83 0.63 0.00 1.06 0.00 0.00 176.91 179.50 1luf h ALA 630 N 1.34 2.19 0.00 6.32 0.00 -0.86 -0.93 119.26 127.32 1luf h ALA 630 Ca 0.28 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.22 1luf h ALA 630 Cb 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1luf h ALA 630 CO -0.04 -0.52 0.00 0.39 0.00 0.00 0.00 179.25 179.08 1luf n GLU 631 N -4.56 0.17 -2.71 0.00 -0.58 -1.12 -4.83 120.64 107.01 1luf n GLU 631 Ca 0.22 0.23 -0.42 0.00 -0.42 0.00 0.00 57.16 56.77 1luf n GLU 631 Cb 0.76 -1.74 -0.03 0.00 -0.57 0.00 0.00 31.44 29.86 1luf n GLU 631 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 1luf s PHE 632 N -3.13 3.68 -0.40 -0.32 0.08 -0.36 -4.99 117.98 112.55 1luf s PHE 632 Ca 0.09 1.71 0.03 0.00 0.12 0.00 0.00 56.93 58.89 1luf s PHE 632 Cb 0.12 -3.11 0.16 0.00 -0.57 0.00 0.00 43.02 39.63 1luf s PHE 632 CO 0.50 0.02 0.36 0.34 -0.10 0.00 0.00 175.22 176.34 1luf s ASP 633 N 0.85 1.38 -0.05 1.36 -1.08 -1.26 -4.69 116.67 113.18 1luf s ASP 633 Ca 0.51 -2.29 -0.07 0.00 -0.52 0.00 0.00 52.55 50.18 1luf s ASP 633 Cb -0.21 0.12 0.01 0.00 -1.46 0.00 0.00 42.92 41.38 1luf s ASP 633 CO 0.28 -0.21 0.17 0.21 0.52 0.00 0.00 175.17 176.14 1luf s ASN 634 N 0.78 -0.13 0.62 -0.34 3.84 -1.26 -5.05 114.94 113.40 1luf s ASN 634 Ca 0.24 0.19 0.34 0.00 0.21 0.00 0.00 52.86 53.85 1luf s ASN 634 Cb -0.08 0.32 1.99 0.00 -0.55 0.00 0.00 41.25 42.93 1luf s ASN 634 CO -0.08 -0.16 2.25 1.55 -2.79 0.00 0.00 177.10 177.87 1luf h PRO 635 N 5.35 0.00 -0.37 0.43 0.13 -1.99 -2.52 132.00 133.02 1luf h PRO 635 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 1luf h PRO 635 Cb 1.20 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.24 1luf h PRO 635 CO 0.40 0.00 0.01 0.09 -0.23 0.00 0.00 178.00 178.27 1luf n ASN 636 N -3.54 3.13 -3.88 1.44 4.13 -1.26 -4.86 115.26 110.41 1luf n ASN 636 Ca -0.02 -3.47 -0.23 0.00 1.68 0.00 0.00 54.58 52.53 1luf n ASN 636 Cb 0.13 -0.62 -0.17 0.00 -1.54 0.00 0.00 39.78 37.59 1luf n ASN 636 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1luf s ILE 637 N -3.09 0.71 0.02 2.41 1.01 -0.95 -0.60 121.20 120.71 1luf s ILE 637 Ca 0.45 -0.16 -0.33 0.00 0.00 0.00 0.00 60.65 60.61 1luf s ILE 637 Cb 0.39 -0.75 -0.12 0.00 0.01 0.00 0.00 42.46 41.99 1luf s ILE 637 CO 0.04 0.29 1.80 0.52 0.00 0.00 0.00 174.94 177.59 1luf n VAL 638 N 4.52 0.41 -3.17 2.92 0.31 -0.07 -4.57 118.33 118.69 1luf n VAL 638 Ca -0.17 -0.07 -0.37 0.00 -0.01 0.00 0.00 64.34 63.72 1luf n VAL 638 Cb 0.51 -1.85 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 1luf n VAL 638 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1luf s LYS 639 N 3.08 4.25 -0.38 5.55 2.20 -1.26 -4.93 119.74 128.24 1luf s LYS 639 Ca 0.87 0.82 -0.24 0.00 -0.36 0.00 0.00 55.97 57.07 1luf s LYS 639 Cb -0.64 -3.04 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1luf s LYS 639 CO 0.45 0.50 0.81 -1.17 -0.36 0.00 0.00 175.35 175.58 1luf s LEU 640 N -1.62 4.12 0.05 5.43 2.96 -1.26 -1.59 118.68 126.77 1luf s LEU 640 Ca 0.37 0.31 0.19 0.00 -0.22 0.00 0.00 54.13 54.79 1luf s LEU 640 Cb -0.18 -3.05 -0.15 0.00 0.50 0.00 0.00 46.19 43.30 1luf s LEU 640 CO 0.21 -0.79 0.73 0.18 -1.32 0.00 0.00 176.35 175.37 1luf n LEU 641 N 6.54 0.62 -3.70 -0.68 4.77 0.12 -4.96 117.00 119.70 1luf n LEU 641 Ca 0.04 0.26 -0.04 0.00 -0.03 0.00 0.00 56.01 56.23 1luf n LEU 641 Cb 0.48 0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.63 1luf n LEU 641 CO 0.55 0.08 0.72 -0.83 -1.33 0.00 0.00 177.39 176.58 1luf s GLY 642 N -4.72 -0.28 0.02 -0.72 0.00 -0.95 -4.97 107.32 95.69 1luf s GLY 642 Ca -0.04 0.30 -0.05 0.00 0.00 0.00 0.00 44.72 44.92 1luf s GLY 642 CO 0.83 0.06 0.09 0.14 0.00 0.00 0.00 173.10 174.22 1luf s VAL 643 N -3.24 0.11 -0.55 1.40 1.01 -0.41 -0.22 120.40 118.49 1luf s VAL 643 Ca 0.11 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1luf s VAL 643 Cb -0.01 -0.57 0.15 0.00 0.00 0.00 0.00 36.38 35.95 1luf s VAL 643 CO 0.00 -0.48 0.35 0.00 0.00 0.00 0.00 175.10 174.97 1luf n ALA 645 N 2.77 4.27 -2.71 0.00 0.00 -1.26 -1.57 120.51 122.00 1luf n ALA 645 Ca 0.16 -0.51 -0.37 0.00 0.00 0.00 0.00 53.44 52.72 1luf n ALA 645 Cb 0.37 -0.65 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 1luf n ALA 645 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1luf s VAL 646 N -2.73 5.23 0.01 0.00 -7.23 -1.26 -4.90 120.40 109.53 1luf s VAL 646 Ca 0.06 0.75 0.00 0.00 -1.81 0.00 0.00 61.98 60.99 1luf s VAL 646 Cb 0.13 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.34 1luf s VAL 646 CO 0.74 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 176.47 1luf n GLY 647 N 3.46 -1.99 3.19 2.32 0.00 -1.26 -4.97 105.19 105.94 1luf n GLY 647 Ca -0.09 -1.39 -0.14 0.00 0.00 0.00 0.00 46.02 44.40 1luf n GLY 647 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1luf s LYS 648 N -0.32 0.88 0.30 1.61 1.02 -1.26 -4.20 119.74 117.77 1luf s LYS 648 Ca 0.00 -1.23 -0.25 0.00 0.02 0.00 0.00 55.97 54.51 1luf s LYS 648 Cb 0.00 -0.51 -0.10 0.00 -0.52 0.00 0.00 37.83 36.70 1luf s LYS 648 CO 0.00 0.07 0.90 -1.25 -0.92 0.00 0.00 175.35 174.14 1luf s PRO 649 N -3.08 4.51 0.31 -1.68 0.04 -1.26 -5.08 135.00 128.77 1luf s PRO 649 Ca 0.08 1.23 -0.29 0.00 0.04 0.00 0.00 61.00 62.06 1luf s PRO 649 Cb -0.01 -2.82 -0.10 0.00 0.04 0.00 0.00 34.50 31.61 1luf s PRO 649 CO -0.00 0.31 1.20 -1.64 0.04 0.00 0.00 177.00 176.90 1luf s MET 650 N -2.03 4.46 0.06 4.56 -1.94 -1.26 -4.87 119.30 118.29 1luf s MET 650 Ca 0.49 1.99 0.02 0.00 -1.71 0.00 0.00 55.69 56.47 1luf s MET 650 Cb -0.18 -3.09 -0.03 0.00 2.01 0.00 0.00 34.83 33.53 1luf s MET 650 CO 0.23 -0.01 -0.07 0.00 -0.01 0.00 0.00 175.02 175.16 1luf s LEU 652 N -2.26 1.82 -0.33 0.00 1.43 0.00 -1.52 118.68 117.82 1luf s LEU 652 Ca -0.00 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.64 1luf s LEU 652 Cb -0.02 -1.02 0.03 0.00 0.03 0.00 0.00 46.19 45.20 1luf s LEU 652 CO -0.03 0.09 0.11 -0.76 0.23 0.00 0.00 176.35 175.99 1luf s LEU 653 N 0.45 4.21 0.23 1.79 1.43 0.69 -0.83 118.68 126.65 1luf s LEU 653 Ca -0.14 -1.00 0.05 0.00 -1.03 0.00 0.00 54.13 52.02 1luf s LEU 653 Cb -0.16 -1.88 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1luf s LEU 653 CO 0.05 -0.29 0.28 -0.36 0.23 0.00 0.00 176.35 176.26 1luf s PHE 654 N 1.44 3.33 0.61 0.29 0.40 -0.19 0.15 117.98 124.01 1luf s PHE 654 Ca -0.00 -0.03 -0.19 0.00 -0.60 0.00 0.00 56.93 56.11 1luf s PHE 654 Cb -0.19 -1.52 -0.03 0.00 0.51 0.00 0.00 43.02 41.79 1luf s PHE 654 CO 0.03 0.48 1.28 -1.83 0.70 0.00 0.00 175.22 175.88 1luf s GLU 655 N -3.79 2.79 -0.18 0.44 -1.05 -0.62 -0.95 118.70 115.33 1luf s GLU 655 Ca 0.33 2.02 -0.16 0.00 -0.15 0.00 0.00 54.97 57.01 1luf s GLU 655 Cb -0.09 -1.95 -0.04 0.00 -0.44 0.00 0.00 34.13 31.62 1luf s GLU 655 CO 0.27 -1.40 0.40 -0.47 0.95 0.00 0.00 175.26 175.02 1luf s TYR 656 N -1.44 3.41 -0.57 4.83 5.04 -1.23 -4.29 117.35 123.10 1luf s TYR 656 Ca 0.79 0.67 -0.12 0.00 -2.44 0.00 0.00 57.07 55.97 1luf s TYR 656 Cb -0.36 -2.51 0.15 0.00 0.35 0.00 0.00 41.96 39.58 1luf s TYR 656 CO 0.39 0.05 0.49 -1.64 -1.34 0.00 0.00 175.55 173.50 1luf s MET 657 N 1.10 2.88 0.60 4.97 -1.94 -1.26 -4.97 119.30 120.68 1luf s MET 657 Ca 0.20 -1.93 0.29 0.00 -1.71 0.00 0.00 55.69 52.54 1luf s MET 657 Cb -0.15 -4.15 1.52 0.00 2.01 0.00 0.00 34.83 34.07 1luf s MET 657 CO 0.08 -1.26 1.93 0.00 -0.01 0.00 0.00 175.02 175.76 1luf h ALA 658 N 8.39 2.03 -0.41 3.03 0.00 -1.92 -2.75 119.26 127.63 1luf h ALA 658 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1luf h ALA 658 Cb 1.07 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1luf h ALA 658 CO 0.90 -0.61 0.00 0.66 0.00 0.00 0.00 179.25 180.20 1luf n TYR 659 N -3.65 0.53 -3.70 0.00 4.01 0.01 -5.03 117.16 109.33 1luf n TYR 659 Ca 0.06 -0.26 0.00 0.00 -0.16 0.00 0.00 57.90 57.54 1luf n TYR 659 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.61 1luf n TYR 659 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1luf n GLY 660 N 1.41 -1.91 3.80 2.72 0.00 -1.04 -4.70 105.19 105.47 1luf n GLY 660 Ca 0.19 -1.44 -0.33 0.00 0.00 0.00 0.00 46.02 44.43 1luf n GLY 660 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1luf s ASP 661 N -4.00 6.19 0.46 1.61 -4.77 -1.26 0.26 116.67 115.17 1luf s ASP 661 Ca 0.00 1.87 0.15 0.00 -3.30 0.00 0.00 52.55 51.26 1luf s ASP 661 Cb 0.00 -2.55 1.05 0.00 -1.09 0.00 0.00 42.92 40.34 1luf s ASP 661 CO 0.00 -0.88 2.03 0.25 0.70 0.00 0.00 175.17 177.26 1luf h LEU 662 N 1.17 0.01 -0.17 2.11 5.85 -0.10 -2.55 115.31 121.64 1luf h LEU 662 Ca -0.48 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.21 1luf h LEU 662 Cb 1.22 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.24 1luf h LEU 662 CO 0.59 0.15 0.03 -1.13 -0.34 0.00 0.00 178.44 177.73 1luf h ASN 663 N 0.01 0.27 -0.41 1.25 -0.73 -1.77 -0.19 115.58 114.01 1luf h ASN 663 Ca 0.00 -0.26 -0.11 0.00 1.87 0.00 0.00 56.30 57.80 1luf h ASN 663 Cb 0.25 -0.07 -0.02 0.00 0.27 0.00 0.00 38.32 38.75 1luf h ASN 663 CO 0.02 0.46 -0.16 -0.08 -0.37 0.00 0.00 177.43 177.30 1luf h GLU 664 N 0.06 0.89 -0.24 6.67 4.81 -1.88 -1.92 114.58 122.97 1luf h GLU 664 Ca 0.05 -0.34 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1luf h GLU 664 Cb 0.31 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1luf h GLU 664 CO 0.00 0.98 0.10 0.35 -0.73 0.00 0.00 179.01 179.72 1luf h PHE 665 N 0.79 0.19 -0.22 0.92 3.57 -1.29 -0.12 116.94 120.78 1luf h PHE 665 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 1luf h PHE 665 Cb 0.69 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.37 1luf h PHE 665 CO 0.04 0.10 0.14 -0.07 -2.23 0.00 0.00 178.31 176.28 1luf h LEU 666 N 0.23 0.26 -1.80 0.59 3.38 -0.88 -1.96 115.31 115.13 1luf h LEU 666 Ca 0.10 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1luf h LEU 666 Cb 0.05 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 1luf h LEU 666 CO -0.09 0.22 -0.12 0.03 0.09 0.00 0.00 178.44 178.57 1luf h ARG 667 N 0.28 0.00 0.00 1.13 3.08 -1.09 -0.88 114.38 116.90 1luf h ARG 667 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.13 1luf h ARG 667 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1luf h ARG 667 CO -0.02 0.12 -0.15 -1.13 -1.07 0.00 0.00 179.97 177.73 1luf n SER 668 N -4.30 0.49 -0.97 7.04 3.41 -0.08 -3.31 113.62 115.89 1luf n SER 668 Ca -0.03 0.39 0.08 0.00 -0.26 0.00 0.00 58.87 59.05 1luf n SER 668 Cb 0.20 -0.44 0.25 0.00 -0.26 0.00 0.00 64.21 63.96 1luf n SER 668 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 1luf n MET 669 N -1.90 3.15 -3.10 4.33 2.81 -0.38 -5.01 117.12 117.01 1luf n MET 669 Ca 0.06 -2.62 -0.37 0.00 -1.81 0.00 0.00 57.70 52.96 1luf n MET 669 Cb 0.39 -1.70 -0.06 0.00 -0.71 0.00 0.00 33.22 31.15 1luf n MET 669 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1luf s SER 670 N -1.42 7.10 -0.47 7.83 1.04 -0.92 -3.26 113.70 123.61 1luf s SER 670 Ca 0.38 1.43 -0.29 0.00 0.48 0.00 0.00 55.95 57.96 1luf s SER 670 Cb 0.27 -2.42 -0.09 0.00 0.10 0.00 0.00 66.02 63.88 1luf s SER 670 CO 0.14 0.08 2.37 -2.65 0.98 0.00 0.00 173.24 174.16 1luf n PRO 671 N 0.93 1.12 -1.58 4.02 -0.02 -1.26 -4.93 135.00 133.28 1luf n PRO 671 Ca -0.03 0.16 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 1luf n PRO 671 Cb 0.51 -3.00 0.06 0.00 -0.02 0.00 0.00 33.50 31.05 1luf n PRO 671 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1luf s PRO 694 N 7.59 2.66 1.27 0.52 0.04 -1.26 -5.19 135.00 140.63 1luf s PRO 694 Ca 1.05 1.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.13 1luf s PRO 694 Cb -0.46 -1.94 0.32 0.00 0.04 0.00 0.00 34.50 32.45 1luf s PRO 694 CO 0.35 -1.34 1.08 -1.25 0.04 0.00 0.00 177.00 175.88 1luf s PRO 695 N -4.48 -1.78 0.15 0.56 0.04 -1.26 -4.98 135.00 123.25 1luf s PRO 695 Ca 0.64 -0.14 -0.30 0.00 0.04 0.00 0.00 61.00 61.23 1luf s PRO 695 Cb -0.18 -1.54 -0.07 0.00 0.04 0.00 0.00 34.50 32.75 1luf s PRO 695 CO 0.48 -4.07 0.97 -0.51 0.04 0.00 0.00 177.00 173.91 1luf s LEU 696 N -7.16 4.54 0.71 -3.56 1.43 -1.20 -5.05 118.68 108.38 1luf s LEU 696 Ca 0.72 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 55.57 1luf s LEU 696 Cb -0.08 -3.60 0.02 0.00 0.03 0.00 0.00 46.19 42.56 1luf s LEU 696 CO 0.56 -0.03 1.09 -0.94 0.23 0.00 0.00 176.35 177.27 1luf s SER 697 N -0.32 5.40 0.29 2.29 1.04 -1.26 -4.88 113.70 116.26 1luf s SER 697 Ca 0.46 1.17 -0.03 0.00 0.48 0.00 0.00 55.95 58.02 1luf s SER 697 Cb -0.25 -1.97 0.40 0.00 0.10 0.00 0.00 66.02 64.30 1luf s SER 697 CO 0.31 -1.37 1.96 0.00 0.98 0.00 0.00 173.24 175.12 1luf h ALA 699 N 1.46 1.13 -0.55 0.00 0.00 -1.97 -1.14 119.26 118.19 1luf h ALA 699 Ca 0.32 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.00 1luf h ALA 699 Cb -0.13 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.29 1luf h ALA 699 CO -0.07 0.63 -0.08 0.93 0.00 0.00 0.00 179.25 180.66 1luf h GLU 700 N 1.23 1.01 -0.43 0.00 5.08 -1.71 -1.18 114.58 118.58 1luf h GLU 700 Ca 0.31 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1luf h GLU 700 Cb 0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 1luf h GLU 700 CO -0.05 1.03 0.15 1.96 -1.00 0.00 0.00 179.01 181.10 1luf h GLN 701 N 0.91 0.65 -0.40 2.33 4.20 -0.86 -1.36 115.11 120.57 1luf h GLN 701 Ca 0.15 -0.13 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1luf h GLN 701 Cb 0.63 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 1luf h GLN 701 CO 0.04 0.62 0.07 -0.07 -0.67 0.00 0.00 178.83 178.82 1luf h LEU 702 N 0.55 0.56 -0.16 1.46 3.38 -1.08 -1.06 115.31 118.96 1luf h LEU 702 Ca 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1luf h LEU 702 Cb 0.23 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 1luf h LEU 702 CO -0.01 0.58 0.08 0.00 0.09 0.00 0.00 178.44 179.18 1luf h ILE 704 N 0.13 0.95 -0.70 0.00 2.04 -0.87 -1.64 117.51 117.42 1luf h ILE 704 Ca 0.06 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1luf h ILE 704 Cb 0.13 0.84 -0.06 0.00 -0.74 0.00 0.00 36.82 36.98 1luf h ILE 704 CO -0.01 0.02 0.39 0.00 0.00 0.00 0.00 178.15 178.56 1luf h ALA 705 N 1.10 0.95 -0.36 1.87 0.00 -0.92 -2.14 119.26 119.76 1luf h ALA 705 Ca 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1luf h ALA 705 Cb 0.04 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1luf h ALA 705 CO -0.07 0.07 0.19 -0.09 0.00 0.00 0.00 179.25 179.34 1luf h ARG 706 N 0.71 0.51 -0.95 0.00 2.43 -0.25 -1.56 114.38 115.28 1luf h ARG 706 Ca 0.32 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.43 1luf h ARG 706 Cb 0.22 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.62 1luf h ARG 706 CO -0.19 0.44 0.63 1.96 -1.51 0.00 0.00 179.97 181.29 1luf h GLN 707 N 0.45 1.25 -0.46 0.20 4.20 -0.90 0.22 115.11 120.08 1luf h GLN 707 Ca 0.13 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1luf h GLN 707 Cb 0.08 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.56 1luf h GLN 707 CO -0.02 0.82 0.05 0.28 -0.67 0.00 0.00 178.83 179.30 1luf h VAL 708 N 1.28 1.25 -0.81 -0.54 2.07 -1.21 -1.57 116.25 116.72 1luf h VAL 708 Ca 0.35 -0.95 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 1luf h VAL 708 Cb -0.14 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 1luf h VAL 708 CO -0.08 0.33 0.36 0.00 0.02 0.00 0.00 177.57 178.21 1luf h ALA 709 N 0.94 1.11 -0.31 1.67 0.00 -0.56 -0.49 119.26 121.62 1luf h ALA 709 Ca 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1luf h ALA 709 Cb 0.42 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1luf h ALA 709 CO 0.01 0.65 0.20 0.00 0.00 0.00 0.00 179.25 180.12 1luf h ALA 710 N 1.23 0.39 -0.48 0.00 0.00 -0.22 -0.02 119.26 120.16 1luf h ALA 710 Ca 0.28 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.15 1luf h ALA 710 Cb 0.15 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1luf h ALA 710 CO -0.03 -0.15 0.23 0.78 0.00 0.00 0.00 179.25 180.09 1luf h GLY 711 N 0.41 0.74 1.50 0.00 0.00 -0.86 -2.58 103.07 102.29 1luf h GLY 711 Ca 0.11 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 1luf h GLY 711 CO -0.02 0.34 0.02 -0.33 0.00 0.00 0.00 176.54 176.55 1luf h MET 712 N 0.63 0.62 -0.70 4.80 2.86 -0.80 -1.72 114.93 120.63 1luf h MET 712 Ca 0.17 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 1luf h MET 712 Cb 0.11 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 1luf h MET 712 CO -0.02 0.63 0.40 0.00 1.06 0.00 0.00 176.91 178.98 1luf h ALA 713 N 1.43 1.39 -0.05 6.32 0.00 -0.72 0.40 119.26 128.03 1luf h ALA 713 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1luf h ALA 713 Cb 0.35 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1luf h ALA 713 CO 0.01 0.51 -0.02 -0.92 0.00 0.00 0.00 179.25 178.83 1luf h TYR 714 N 0.97 0.12 -0.55 0.00 3.20 -1.00 -1.10 116.97 118.60 1luf h TYR 714 Ca 0.25 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.08 1luf h TYR 714 Cb -0.01 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.21 1luf h TYR 714 CO 0.00 0.49 0.32 -0.07 -1.64 0.00 0.00 178.16 177.27 1luf h LEU 715 N -0.28 0.67 -0.07 2.82 3.38 -0.93 -2.47 115.31 118.43 1luf h LEU 715 Ca 0.01 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1luf h LEU 715 Cb 0.46 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1luf h LEU 715 CO 0.01 0.54 0.05 -1.28 0.09 0.00 0.00 178.44 177.84 1luf h SER 716 N 0.74 0.08 -0.05 -0.43 0.87 -0.19 0.13 113.55 114.70 1luf h SER 716 Ca 0.20 -0.01 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 1luf h SER 716 Cb 0.00 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 61.94 1luf h SER 716 CO -0.04 0.07 0.05 -0.08 -0.53 0.00 0.00 176.83 176.30 1luf h GLU 717 N 0.09 0.00 -0.15 2.24 4.22 -1.04 0.72 114.58 120.67 1luf h GLU 717 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 1luf h GLU 717 Cb -0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1luf h GLU 717 CO -0.01 0.00 0.00 0.54 -2.18 0.00 0.00 179.01 177.36 1luf n ARG 718 N -4.01 1.65 -3.54 1.92 1.74 -0.78 -4.91 116.66 108.73 1luf n ARG 718 Ca -0.02 -0.97 -0.22 0.00 -0.77 0.00 0.00 57.85 55.87 1luf n ARG 718 Cb 0.15 -1.38 0.08 0.00 -1.02 0.00 0.00 32.46 30.29 1luf n ARG 718 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1luf n LYS 719 N 0.20 -7.54 -4.36 5.56 4.01 0.25 -4.99 118.16 111.28 1luf n LYS 719 Ca 0.16 0.80 -0.34 0.00 -0.51 0.00 0.00 58.31 58.42 1luf n LYS 719 Cb 0.30 -5.75 -0.13 0.00 -0.51 0.00 0.00 35.03 28.94 1luf n LYS 719 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1luf s PHE 720 N -3.31 2.99 -0.30 2.13 5.36 0.40 -5.00 117.98 120.25 1luf s PHE 720 Ca 0.50 -0.42 -0.11 0.00 -0.96 0.00 0.00 56.93 55.95 1luf s PHE 720 Cb -0.22 -1.97 -0.03 0.00 -0.34 0.00 0.00 43.02 40.46 1luf s PHE 720 CO 0.70 -0.13 0.17 0.08 -1.46 0.00 0.00 175.22 174.58 1luf s VAL 721 N 0.55 4.95 0.05 3.12 1.01 -1.26 -4.10 120.40 124.72 1luf s VAL 721 Ca -0.03 -0.15 -0.22 0.00 0.00 0.00 0.00 61.98 61.58 1luf s VAL 721 Cb -0.14 -3.45 -0.14 0.00 0.00 0.00 0.00 36.38 32.64 1luf s VAL 721 CO 0.03 0.15 1.50 -0.74 0.00 0.00 0.00 175.10 176.03 1luf h HIS 722 N 8.38 0.17 0.00 5.22 2.76 -1.97 -3.47 115.15 126.24 1luf h HIS 722 Ca -0.34 -0.03 0.00 0.00 -2.20 0.00 0.00 60.37 57.81 1luf h HIS 722 Cb 1.17 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 30.08 1luf h HIS 722 CO 0.69 0.38 0.00 0.54 -1.30 0.00 0.00 177.93 178.24 1luf n ARG 723 N -4.85 0.00 -2.71 5.26 1.74 -1.26 -4.75 116.66 110.09 1luf n ARG 723 Ca -0.06 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.97 1luf n ARG 723 Cb 0.18 -2.55 0.08 0.00 -1.02 0.00 0.00 32.46 29.14 1luf n ARG 723 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1luf n ASP 724 N 0.00 0.06 -4.70 0.55 2.03 -1.26 -4.96 116.55 108.28 1luf n ASP 724 Ca 0.00 -2.40 -0.42 0.00 0.52 0.00 0.00 54.79 52.49 1luf n ASP 724 Cb 0.00 0.11 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 1luf n ASP 724 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 1luf s LEU 725 N -3.48 4.32 -0.16 -2.67 2.96 -1.26 -4.77 118.68 113.63 1luf s LEU 725 Ca 0.22 1.95 -0.31 0.00 -0.22 0.00 0.00 54.13 55.78 1luf s LEU 725 Cb 0.41 -3.57 0.14 0.00 0.50 0.00 0.00 46.19 43.67 1luf s LEU 725 CO -0.04 -0.56 1.09 0.00 -1.32 0.00 0.00 176.35 175.52 1luf s ALA 726 N 1.77 -1.98 0.56 5.97 0.00 -1.26 -4.79 121.76 122.03 1luf s ALA 726 Ca 0.58 1.54 0.25 0.00 0.00 0.00 0.00 51.96 54.33 1luf s ALA 726 Cb -0.28 -0.48 1.53 0.00 0.00 0.00 0.00 23.12 23.89 1luf s ALA 726 CO 0.26 -0.44 2.12 1.79 0.00 0.00 0.00 175.76 179.48 1luf h THR 727 N 2.22 0.68 0.00 0.00 1.35 -1.93 0.81 112.91 116.04 1luf h THR 727 Ca -0.15 0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 1luf h THR 727 Cb 1.18 0.89 -0.00 0.00 -1.73 0.00 0.00 68.15 68.49 1luf h THR 727 CO 0.27 0.00 -0.06 0.08 -0.25 0.00 0.00 175.52 175.57 1luf h ARG 728 N 0.00 0.00 -0.69 4.72 0.11 -1.94 -1.70 114.38 114.87 1luf h ARG 728 Ca 0.08 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.16 1luf h ARG 728 Cb 0.38 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.46 1luf h ARG 728 CO -0.00 0.06 0.00 0.09 0.10 0.00 0.00 179.97 180.22 1luf n ASN 729 N -3.66 4.39 -4.64 0.08 3.02 0.27 -4.65 115.26 110.07 1luf n ASN 729 Ca -0.02 -2.23 -0.31 0.00 -0.03 0.00 0.00 54.58 51.98 1luf n ASN 729 Cb 0.16 -0.54 -0.09 0.00 -0.61 0.00 0.00 39.78 38.70 1luf n ASN 729 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1luf s LEU 731 N -1.80 2.40 -0.11 0.00 1.43 0.68 0.14 118.68 121.43 1luf s LEU 731 Ca 0.21 -0.74 -0.01 0.00 -1.03 0.00 0.00 54.13 52.56 1luf s LEU 731 Cb -0.11 -1.26 -0.03 0.00 0.03 0.00 0.00 46.19 44.81 1luf s LEU 731 CO 0.12 0.17 -0.06 -0.69 0.23 0.00 0.00 176.35 176.12 1luf s VAL 732 N -1.18 3.72 0.00 -1.59 1.01 0.14 -1.19 120.40 121.31 1luf s VAL 732 Ca 0.16 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1luf s VAL 732 Cb -0.10 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.72 1luf s VAL 732 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.34 1luf n GLY 733 N 2.84 3.87 3.75 4.51 0.00 0.95 -0.80 105.19 120.31 1luf n GLY 733 Ca -0.18 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.30 1luf n GLY 733 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1luf s GLU 734 N -1.64 2.98 -1.61 1.61 2.56 -1.26 -2.85 118.70 118.49 1luf s GLU 734 Ca 0.00 2.07 -0.03 0.00 0.00 0.00 0.00 54.97 57.01 1luf s GLU 734 Cb 0.00 -2.08 0.01 0.00 2.00 0.00 0.00 34.13 34.06 1luf s GLU 734 CO 0.00 -1.26 0.31 -1.71 -0.56 0.00 0.00 175.26 172.04 1luf n ASN 735 N -1.36 -5.79 -2.87 -1.70 5.15 -1.26 -2.32 115.26 105.12 1luf n ASN 735 Ca 0.12 -0.15 -0.22 0.00 -0.60 0.00 0.00 54.58 53.74 1luf n ASN 735 Cb 0.47 -4.75 0.02 0.00 -0.53 0.00 0.00 39.78 34.99 1luf n ASN 735 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 1luf n MET 736 N -3.52 -3.82 -2.36 1.20 0.00 -1.13 -4.96 117.12 102.53 1luf n MET 736 Ca -0.17 0.88 -0.40 0.00 0.00 0.00 0.00 57.70 58.01 1luf n MET 736 Cb 0.65 -5.66 -0.03 0.00 0.00 0.00 0.00 33.22 28.17 1luf n MET 736 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1luf s VAL 737 N -3.09 3.27 -0.05 1.12 1.01 -0.98 -4.84 120.40 116.84 1luf s VAL 737 Ca 0.22 1.20 0.03 0.00 0.00 0.00 0.00 61.98 63.43 1luf s VAL 737 Cb -0.10 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.55 1luf s VAL 737 CO 0.27 0.23 -0.13 -0.69 0.00 0.00 0.00 175.10 174.78 1luf s VAL 738 N -1.26 1.17 0.08 2.92 1.01 -1.26 -0.03 120.40 123.03 1luf s VAL 738 Ca 0.49 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1luf s VAL 738 Cb -0.32 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 34.98 1luf s VAL 738 CO 0.42 0.35 -0.12 -0.54 0.00 0.00 0.00 175.10 175.21 1luf s LYS 739 N 0.40 0.82 0.15 2.72 1.02 -0.33 -4.68 119.74 119.83 1luf s LYS 739 Ca -0.10 -1.03 -0.13 0.00 0.02 0.00 0.00 55.97 54.74 1luf s LYS 739 Cb -0.13 -0.68 -0.07 0.00 -0.52 0.00 0.00 37.83 36.43 1luf s LYS 739 CO 0.03 0.13 0.52 0.42 -0.92 0.00 0.00 175.35 175.53 1luf s ILE 740 N -1.76 4.91 0.00 2.17 1.01 0.24 -0.23 121.20 127.54 1luf s ILE 740 Ca 0.01 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.36 1luf s ILE 740 Cb -0.07 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1luf s ILE 740 CO 0.01 0.20 0.00 0.00 0.00 0.00 0.00 174.94 175.16 1luf n ALA 741 N 0.68 0.00 -2.80 9.38 0.00 -0.65 -0.89 120.51 126.23 1luf n ALA 741 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1luf n ALA 741 Cb 0.52 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.98 1luf n ALA 741 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1luf s ASP 742 N -0.92 -0.68 0.00 0.00 -1.08 -1.26 -4.71 116.67 108.02 1luf s ASP 742 Ca 0.00 -0.59 0.31 0.00 -0.52 0.00 0.00 52.55 51.74 1luf s ASP 742 Cb 0.00 0.89 1.62 0.00 -1.46 0.00 0.00 42.92 43.96 1luf s ASP 742 CO 0.00 -0.05 2.09 0.49 0.52 0.00 0.00 175.17 178.22 1luf n PHE 743 N 3.27 0.00 -2.00 -5.34 3.01 -1.26 -4.91 117.46 110.23 1luf n PHE 743 Ca 0.11 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.44 1luf n PHE 743 Cb 0.62 -0.18 -0.02 0.00 -0.01 0.00 0.00 39.48 39.89 1luf n PHE 743 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1luf n GLY 744 N 1.19 0.26 0.02 1.37 0.00 -1.26 -4.90 105.19 101.87 1luf n GLY 744 Ca 0.17 -0.38 0.07 0.00 0.00 0.00 0.00 46.02 45.88 1luf n GLY 744 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1luf n LEU 745 N -1.70 0.00 -0.31 0.99 4.77 -1.26 -4.26 117.00 115.23 1luf n LEU 745 Ca -0.14 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.88 1luf n LEU 745 Cb 0.56 0.07 0.19 0.00 -2.33 0.00 0.00 43.42 41.92 1luf n LEU 745 CO 0.18 0.07 1.16 0.28 -1.33 0.00 0.00 177.39 177.75 1luf h SER 746 N 0.00 0.72 0.02 -1.43 0.02 -1.92 -0.30 113.55 110.66 1luf h SER 746 Ca -0.08 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1luf h SER 746 Cb 1.10 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 1luf h SER 746 CO 0.00 0.39 -0.00 0.03 -1.14 0.00 0.00 176.83 176.12 1luf h ARG 747 N 0.82 0.00 0.00 3.45 3.08 -1.83 1.25 114.38 121.15 1luf h ARG 747 Ca 0.43 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.30 1luf h ARG 747 Cb 0.43 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1luf h ARG 747 CO -0.27 0.00 -1.42 -1.71 -1.07 0.00 0.00 179.97 175.51 1luf n ASN 748 N -3.19 1.90 0.11 7.04 2.85 -0.43 -3.40 115.26 120.14 1luf n ASN 748 Ca -0.03 0.41 -0.03 0.00 -0.11 0.00 0.00 54.58 54.83 1luf n ASN 748 Cb 0.08 -0.83 0.18 0.00 1.24 0.00 0.00 39.78 40.44 1luf n ASN 748 CO 0.00 0.00 0.00 0.40 -2.11 0.00 0.00 177.26 175.55 1luf h ILE 749 N -1.00 1.37 -1.04 -1.44 2.04 -1.01 -3.26 117.51 113.17 1luf h ILE 749 Ca -0.28 -1.83 -0.57 0.00 1.00 0.00 0.00 64.86 63.18 1luf h ILE 749 Cb 1.14 1.92 -0.42 0.00 -0.74 0.00 0.00 36.82 38.72 1luf h ILE 749 CO -0.17 0.54 -0.71 -1.22 0.00 0.00 0.00 178.15 176.59 1luf n TYR 750 N -3.92 3.00 -0.04 1.37 4.01 0.43 -4.86 117.16 117.15 1luf n TYR 750 Ca -0.02 -2.55 0.23 0.00 -0.16 0.00 0.00 57.90 55.40 1luf n TYR 750 Cb 0.56 -0.30 0.71 0.00 -0.31 0.00 0.00 39.34 40.00 1luf n TYR 750 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1luf h SER 751 N 2.32 0.00 0.58 7.72 4.64 -1.56 0.14 113.55 127.39 1luf h SER 751 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1luf h SER 751 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1luf h SER 751 CO 0.83 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.79 1luf n ALA 752 N -2.62 1.59 1.37 5.18 0.00 -1.26 -1.90 120.51 122.86 1luf n ALA 752 Ca 0.12 0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1luf n ALA 752 Cb 0.72 -1.32 0.46 0.00 0.00 0.00 0.00 19.45 19.30 1luf n ALA 752 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1luf n ASP 753 N -2.01 1.20 -4.31 0.00 8.00 0.48 -4.88 116.55 115.03 1luf n ASP 753 Ca 0.02 -1.15 -0.28 0.00 0.71 0.00 0.00 54.79 54.09 1luf n ASP 753 Cb 0.19 0.06 -0.14 0.00 -0.02 0.00 0.00 41.12 41.21 1luf n ASP 753 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1luf s TYR 754 N -2.27 2.10 -0.19 1.24 1.51 -0.80 -4.21 117.35 114.73 1luf s TYR 754 Ca 0.31 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.93 1luf s TYR 754 Cb 0.20 -1.25 -0.02 0.00 -0.11 0.00 0.00 41.96 40.78 1luf s TYR 754 CO 0.43 0.12 -0.03 -0.47 -1.11 0.00 0.00 175.55 174.50 1luf s TYR 755 N -0.82 3.00 -0.05 2.71 5.04 0.12 -4.80 117.35 122.56 1luf s TYR 755 Ca 0.10 -0.51 -0.04 0.00 -2.44 0.00 0.00 57.07 54.18 1luf s TYR 755 Cb -0.09 -2.04 -0.04 0.00 0.35 0.00 0.00 41.96 40.14 1luf s TYR 755 CO 0.02 -0.24 0.15 -1.59 -1.34 0.00 0.00 175.55 172.55 1luf s LYS 756 N 0.88 3.37 0.00 4.97 -2.85 -1.26 -0.92 119.74 123.93 1luf s LYS 756 Ca -0.00 -0.28 0.00 0.00 -1.00 0.00 0.00 55.97 54.69 1luf s LYS 756 Cb -0.14 -3.09 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 1luf s LYS 756 CO 0.02 0.71 0.00 -0.40 0.10 0.00 0.00 175.35 175.78 1luf n ASP 761 N 1.40 0.00 -4.67 0.03 5.68 -1.26 -4.92 116.55 112.82 1luf n ASP 761 Ca -0.15 0.00 -0.47 0.00 -0.50 0.00 0.00 54.79 53.68 1luf n ASP 761 Cb 0.53 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.47 1luf n ASP 761 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1luf n ALA 762 N 0.00 1.21 -2.44 2.12 0.00 -1.25 -5.00 120.51 115.14 1luf n ALA 762 Ca 0.00 0.43 -0.27 0.00 0.00 0.00 0.00 53.44 53.60 1luf n ALA 762 Cb 0.00 -2.36 -0.14 0.00 0.00 0.00 0.00 19.45 16.95 1luf n ALA 762 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1luf s ILE 763 N 1.33 1.93 -1.47 0.00 -4.36 -0.10 -4.76 121.20 113.76 1luf s ILE 763 Ca 0.81 -1.46 -0.10 0.00 -0.26 0.00 0.00 60.65 59.65 1luf s ILE 763 Cb -0.69 -1.69 -0.07 0.00 1.25 0.00 0.00 42.46 41.25 1luf s ILE 763 CO 0.40 0.15 2.74 -0.81 0.24 0.00 0.00 174.94 177.67 1luf n PRO 764 N 1.43 3.32 -0.32 0.37 -0.04 -1.26 0.16 135.00 138.66 1luf n PRO 764 Ca -0.18 -2.09 0.04 0.00 -0.04 0.00 0.00 63.50 61.23 1luf n PRO 764 Cb 0.53 -2.77 0.10 0.00 -0.04 0.00 0.00 33.50 31.32 1luf n PRO 764 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 1luf n ILE 765 N 3.84 -0.39 0.07 0.52 2.08 -1.26 -0.50 119.36 123.73 1luf n ILE 765 Ca 0.70 2.00 0.02 0.00 0.56 0.00 0.00 62.75 66.03 1luf n ILE 765 Cb 0.23 -2.74 0.10 0.00 -0.75 0.00 0.00 39.64 36.47 1luf n ILE 765 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1luf n ARG 766 N -5.39 0.02 -0.01 0.38 1.74 -1.26 -1.55 116.66 110.59 1luf n ARG 766 Ca 0.13 0.49 0.02 0.00 -0.77 0.00 0.00 57.85 57.72 1luf n ARG 766 Cb 0.42 -1.55 0.02 0.00 -1.02 0.00 0.00 32.46 30.33 1luf n ARG 766 CO 0.00 0.00 0.00 0.91 -1.52 0.00 0.00 177.63 177.02 1luf n TRP 767 N -1.59 0.02 -3.74 -1.55 8.01 0.35 -4.96 117.44 113.99 1luf n TRP 767 Ca 0.00 -0.06 -0.37 0.00 -1.31 0.00 0.00 57.50 55.77 1luf n TRP 767 Cb 0.02 -0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.26 1luf n TRP 767 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1luf s MET 768 N -0.46 3.62 0.49 -0.99 -1.94 -0.60 -3.53 119.30 115.91 1luf s MET 768 Ca 0.06 0.06 -0.12 0.00 -1.71 0.00 0.00 55.69 53.98 1luf s MET 768 Cb 0.04 -3.18 -0.06 0.00 2.01 0.00 0.00 34.83 33.64 1luf s MET 768 CO 0.06 0.73 0.89 -1.25 -0.01 0.00 0.00 175.02 175.44 1luf s PRO 769 N -1.16 3.76 0.33 2.03 0.04 -1.26 -4.86 135.00 133.88 1luf s PRO 769 Ca 0.20 0.64 0.07 0.00 0.04 0.00 0.00 61.00 61.96 1luf s PRO 769 Cb -0.14 -2.24 0.77 0.00 0.04 0.00 0.00 34.50 32.93 1luf s PRO 769 CO 0.09 -0.24 1.81 -1.00 0.04 0.00 0.00 177.00 177.70 1luf h PRO 770 N 0.69 0.72 -0.08 0.56 0.13 -1.93 -0.82 132.00 131.26 1luf h PRO 770 Ca -0.46 -0.04 -0.01 0.00 -0.87 0.00 0.00 66.00 64.61 1luf h PRO 770 Cb 1.19 -0.16 -0.01 0.00 0.13 0.00 0.00 31.00 32.15 1luf h PRO 770 CO 0.62 0.48 -0.01 1.05 -0.23 0.00 0.00 178.00 179.91 1luf h GLU 771 N 0.74 0.11 0.01 0.86 9.09 -1.89 0.47 114.58 123.97 1luf h GLU 771 Ca 0.53 -0.01 -0.13 0.00 0.05 0.00 0.00 59.36 59.80 1luf h GLU 771 Cb 0.85 -0.02 0.01 0.00 -1.65 0.00 0.00 28.75 27.94 1luf h GLU 771 CO -0.30 0.14 -0.50 0.77 0.05 0.00 0.00 179.01 179.17 1luf h SER 772 N 0.12 0.41 0.03 3.06 0.02 -1.11 -0.44 113.55 115.64 1luf h SER 772 Ca 0.03 -0.79 -0.00 0.00 -0.84 0.00 0.00 61.79 60.19 1luf h SER 772 Cb 0.11 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.52 1luf h SER 772 CO 0.00 1.15 -0.02 0.40 -1.14 0.00 0.00 176.83 177.23 1luf h ILE 773 N -0.28 1.13 0.00 3.27 2.04 -0.73 -2.35 117.51 120.60 1luf h ILE 773 Ca -0.07 -0.52 -0.11 0.00 1.00 0.00 0.00 64.86 65.17 1luf h ILE 773 Cb 1.24 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.78 1luf h ILE 773 CO 0.10 0.13 -1.50 0.49 0.00 0.00 0.00 178.15 177.37 1luf n PHE 774 N -5.00 0.71 -0.60 1.37 3.01 0.16 -4.46 117.46 112.64 1luf n PHE 774 Ca -0.08 0.22 0.03 0.00 1.01 0.00 0.00 57.45 58.64 1luf n PHE 774 Cb 0.14 -0.94 0.04 0.00 -0.01 0.00 0.00 39.48 38.72 1luf n PHE 774 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1luf n TYR 775 N -2.70 0.00 -4.08 1.38 4.02 -0.59 -5.00 117.16 110.18 1luf n TYR 775 Ca -0.08 -0.56 -0.32 0.00 -0.01 0.00 0.00 57.90 56.93 1luf n TYR 775 Cb 0.74 -0.07 -0.01 0.00 -0.02 0.00 0.00 39.34 39.97 1luf n TYR 775 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 1luf n ASN 776 N -0.69 -2.69 -4.62 7.72 5.15 -0.88 -4.90 115.26 114.34 1luf n ASN 776 Ca 0.05 -0.97 -0.34 0.00 -0.60 0.00 0.00 54.58 52.72 1luf n ASN 776 Cb 0.44 -3.07 -0.10 0.00 -0.53 0.00 0.00 39.78 36.52 1luf n ASN 776 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1luf s ARG 777 N -6.75 3.88 -0.16 1.20 3.52 -0.28 -4.94 118.95 115.42 1luf s ARG 777 Ca 0.51 -0.37 -0.02 0.00 -0.13 0.00 0.00 55.73 55.72 1luf s ARG 777 Cb -0.27 -3.14 0.05 0.00 -1.56 0.00 0.00 34.95 30.02 1luf s ARG 777 CO 0.90 0.29 0.00 0.71 -0.81 0.00 0.00 175.30 176.40 1luf s TYR 778 N 0.29 1.14 0.35 5.12 1.51 -1.26 -3.10 117.35 121.40 1luf s TYR 778 Ca 0.02 -0.76 0.05 0.00 -1.01 0.00 0.00 57.07 55.37 1luf s TYR 778 Cb -0.13 -1.06 -0.03 0.00 -0.11 0.00 0.00 41.96 40.64 1luf s TYR 778 CO 0.01 -0.55 0.20 0.95 -1.11 0.00 0.00 175.55 175.05 1luf s THR 779 N 1.82 0.25 0.46 -0.71 -4.23 -1.26 -4.99 115.64 106.98 1luf s THR 779 Ca 0.01 -2.00 0.13 0.00 -1.18 0.00 0.00 61.69 58.65 1luf s THR 779 Cb -0.15 -2.44 0.22 0.00 1.34 0.00 0.00 72.50 71.46 1luf s THR 779 CO -0.07 0.00 2.04 0.74 -0.54 0.00 0.00 174.62 176.79 1luf h THR 780 N 2.04 1.09 -0.02 3.99 2.02 -1.97 -0.25 112.91 119.81 1luf h THR 780 Ca -0.30 -0.38 -0.06 0.00 0.77 0.00 0.00 66.41 66.44 1luf h THR 780 Cb 1.25 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1luf h THR 780 CO 0.46 0.12 -0.26 -0.33 0.37 0.00 0.00 175.52 175.88 1luf h GLU 781 N 0.11 0.03 -0.49 6.66 3.07 -1.95 -0.50 114.58 121.52 1luf h GLU 781 Ca 0.03 -0.01 -0.08 0.00 -0.50 0.00 0.00 59.36 58.80 1luf h GLU 781 Cb 0.17 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1luf h GLU 781 CO 0.01 0.29 -0.01 0.77 -1.40 0.00 0.00 179.01 178.67 1luf h SER 782 N 0.02 0.85 -0.05 1.42 0.02 -1.42 -2.32 113.55 112.09 1luf h SER 782 Ca 0.00 -0.31 -0.04 0.00 -0.84 0.00 0.00 61.79 60.60 1luf h SER 782 Cb 0.48 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 1luf h SER 782 CO 0.04 0.96 -0.06 0.44 -1.14 0.00 0.00 176.83 177.06 1luf h ASP 783 N 0.72 0.25 -0.79 3.07 3.32 -0.90 -2.18 116.42 119.92 1luf h ASP 783 Ca 0.14 -0.04 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1luf h ASP 783 Cb 0.53 -0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1luf h ASP 783 CO 0.03 0.35 0.38 0.58 -1.72 0.00 0.00 179.24 178.87 1luf h VAL 784 N 0.26 1.25 -0.08 -1.35 2.07 -0.58 0.97 116.25 118.78 1luf h VAL 784 Ca 0.06 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.89 1luf h VAL 784 Cb 0.28 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1luf h VAL 784 CO 0.01 0.30 0.05 -0.25 0.02 0.00 0.00 177.57 177.70 1luf h TRP 785 N 1.13 0.09 -0.36 1.57 2.91 -1.11 -1.12 115.95 119.06 1luf h TRP 785 Ca 0.28 0.00 0.02 0.00 1.13 0.00 0.00 58.89 60.32 1luf h TRP 785 Cb 0.11 -0.03 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 1luf h TRP 785 CO 0.01 0.06 0.24 0.00 -1.03 0.00 0.00 178.44 177.72 1luf h ALA 786 N 1.03 1.84 -0.40 2.65 0.00 -1.19 -0.70 119.26 122.51 1luf h ALA 786 Ca 0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1luf h ALA 786 Cb -0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1luf h ALA 786 CO -0.01 0.12 -0.11 -0.92 0.00 0.00 0.00 179.25 178.33 1luf h TYR 787 N 0.40 0.75 -0.82 0.00 3.20 0.33 0.88 116.97 121.71 1luf h TYR 787 Ca 0.14 -0.13 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1luf h TYR 787 Cb 0.08 -0.20 -0.04 0.00 1.54 0.00 0.00 36.73 38.12 1luf h TYR 787 CO -0.00 0.77 0.44 0.78 -1.64 0.00 0.00 178.16 178.51 1luf h GLY 788 N 0.97 1.24 1.24 1.82 0.00 0.01 -0.59 103.07 107.75 1luf h GLY 788 Ca 0.11 -0.57 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1luf h GLY 788 CO 0.03 0.55 -0.01 -2.08 0.00 0.00 0.00 176.54 175.03 1luf h VAL 789 N 1.15 1.26 -0.83 4.60 2.07 -0.86 -2.14 116.25 121.49 1luf h VAL 789 Ca 0.29 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1luf h VAL 789 Cb 0.05 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 30.64 1luf h VAL 789 CO -0.04 0.39 0.55 0.58 0.02 0.00 0.00 177.57 179.07 1luf h VAL 790 N 0.85 1.21 -0.77 2.57 2.07 -0.07 0.18 116.25 122.29 1luf h VAL 790 Ca 0.16 -0.39 0.02 0.00 0.82 0.00 0.00 66.70 67.31 1luf h VAL 790 Cb 0.52 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1luf h VAL 790 CO 0.03 0.21 0.50 -0.07 0.02 0.00 0.00 177.57 178.26 1luf h LEU 791 N 1.13 0.86 -0.42 2.57 3.38 -0.69 0.23 115.31 122.37 1luf h LEU 791 Ca 0.31 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.26 1luf h LEU 791 Cb -0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 1luf h LEU 791 CO -0.07 0.61 0.25 -0.25 0.09 0.00 0.00 178.44 179.08 1luf h TRP 792 N 1.01 0.55 -0.29 1.13 7.01 -0.61 -2.30 115.95 122.45 1luf h TRP 792 Ca 0.30 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.32 1luf h TRP 792 Cb -0.06 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.79 1luf h TRP 792 CO -0.02 0.39 0.11 0.93 -2.79 0.00 0.00 178.44 177.05 1luf h GLU 793 N 0.55 0.23 -0.40 2.65 5.08 0.31 -1.11 114.58 121.90 1luf h GLU 793 Ca 0.15 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.54 1luf h GLU 793 Cb -0.00 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.15 1luf h GLU 793 CO -0.03 0.15 0.16 0.82 -1.00 0.00 0.00 179.01 179.12 1luf h ILE 794 N 0.24 0.91 -0.00 3.13 2.04 -0.74 -0.58 117.51 122.51 1luf h ILE 794 Ca 0.13 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1luf h ILE 794 Cb 0.09 0.54 0.00 0.00 -0.74 0.00 0.00 36.82 36.72 1luf h ILE 794 CO -0.13 0.06 -0.02 0.49 0.00 0.00 0.00 178.15 178.56 1luf n PHE 795 N -4.98 0.00 0.04 1.37 3.72 -0.89 -2.67 117.46 114.05 1luf n PHE 795 Ca 0.02 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.49 1luf n PHE 795 Cb 0.13 -0.16 0.14 0.00 -0.94 0.00 0.00 39.48 38.65 1luf n PHE 795 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1luf n SER 796 N -1.10 2.80 -3.57 4.37 7.64 -0.44 -4.73 113.62 118.60 1luf n SER 796 Ca 0.18 -1.86 -0.25 0.00 1.01 0.00 0.00 58.87 57.95 1luf n SER 796 Cb 0.20 -0.19 0.07 0.00 -1.01 0.00 0.00 64.21 63.28 1luf n SER 796 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1luf n TYR 797 N 0.75 -2.68 -0.20 1.43 4.01 -0.39 -3.09 117.16 116.99 1luf n TYR 797 Ca 0.12 0.93 0.00 0.00 -0.16 0.00 0.00 57.90 58.79 1luf n TYR 797 Cb 0.42 -4.79 0.00 0.00 -0.31 0.00 0.00 39.34 34.66 1luf n TYR 797 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1luf n GLY 798 N -1.90 1.02 3.75 2.72 0.00 -0.37 -2.67 105.19 107.74 1luf n GLY 798 Ca -0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1luf n GLY 798 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1luf s LEU 799 N 0.00 3.89 0.05 0.99 1.02 -1.18 -4.91 118.68 118.54 1luf s LEU 799 Ca 0.00 2.78 -0.31 0.00 0.02 0.00 0.00 54.13 56.62 1luf s LEU 799 Cb 0.00 -4.23 -0.06 0.00 0.02 0.00 0.00 46.19 41.92 1luf s LEU 799 CO 0.00 -1.51 1.34 -1.58 0.02 0.00 0.00 176.35 174.63 1luf s GLN 800 N -2.84 4.33 0.60 1.70 0.74 -1.26 -4.81 119.66 118.12 1luf s GLN 800 Ca 0.70 1.95 -0.19 0.00 0.05 0.00 0.00 55.36 57.87 1luf s GLN 800 Cb -0.41 -3.41 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 1luf s GLN 800 CO 0.49 -0.45 1.22 -1.25 -0.55 0.00 0.00 175.29 174.74 1luf s PRO 801 N 1.66 2.90 -1.38 1.67 0.04 -1.26 -2.78 135.00 135.86 1luf s PRO 801 Ca 0.63 1.85 -0.06 0.00 0.04 0.00 0.00 61.00 63.45 1luf s PRO 801 Cb -0.32 -1.92 0.01 0.00 0.04 0.00 0.00 34.50 32.30 1luf s PRO 801 CO 0.28 -1.26 0.79 0.66 0.04 0.00 0.00 177.00 177.50 1luf n TYR 802 N -1.66 -2.18 -1.93 0.56 4.01 -1.26 -4.90 117.16 109.79 1luf n TYR 802 Ca 0.14 0.67 -0.42 0.00 -0.16 0.00 0.00 57.90 58.14 1luf n TYR 802 Cb 0.49 -4.47 -0.02 0.00 -0.31 0.00 0.00 39.34 35.03 1luf n TYR 802 CO 0.00 0.00 0.00 -0.47 -0.46 0.00 0.00 176.86 175.93 1luf s TYR 803 N -3.20 2.96 0.00 -0.72 5.04 -1.12 -1.96 117.35 118.35 1luf s TYR 803 Ca 0.39 0.87 0.00 0.00 -2.44 0.00 0.00 57.07 55.89 1luf s TYR 803 Cb -0.17 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.23 1luf s TYR 803 CO 0.48 -3.09 0.00 0.41 -1.34 0.00 0.00 175.55 172.02 1luf n GLY 804 N 2.52 2.45 3.83 8.97 0.00 -1.26 -5.05 105.19 116.66 1luf n GLY 804 Ca 0.09 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1luf n GLY 804 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1luf s MET 805 N 0.00 4.11 0.71 1.61 -1.94 -0.83 -5.08 119.30 117.88 1luf s MET 805 Ca 0.00 0.68 -0.10 0.00 -1.71 0.00 0.00 55.69 54.56 1luf s MET 805 Cb 0.00 -2.88 0.04 0.00 2.01 0.00 0.00 34.83 34.00 1luf s MET 805 CO 0.00 0.42 1.07 0.00 -0.01 0.00 0.00 175.02 176.49 1luf s ALA 806 N -1.53 2.96 0.23 3.03 0.00 -1.26 -4.87 121.76 120.32 1luf s ALA 806 Ca 0.41 -0.58 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 1luf s ALA 806 Cb -0.15 -2.86 0.23 0.00 0.00 0.00 0.00 23.12 20.34 1luf s ALA 806 CO 0.20 -1.23 1.87 0.45 0.00 0.00 0.00 175.76 177.06 1luf h HIS 807 N -0.65 0.99 -0.85 0.00 3.86 -1.97 -1.67 115.15 114.85 1luf h HIS 807 Ca -0.45 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 58.78 1luf h HIS 807 Cb 1.28 -0.33 -0.04 0.00 1.06 0.00 0.00 27.41 29.38 1luf h HIS 807 CO 0.42 0.57 0.52 0.93 0.86 0.00 0.00 177.93 181.24 1luf h GLU 808 N 1.03 1.15 -0.15 2.45 3.07 -2.00 -1.79 114.58 118.34 1luf h GLU 808 Ca 0.32 -0.10 -0.06 0.00 -0.50 0.00 0.00 59.36 59.03 1luf h GLU 808 Cb -0.01 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.65 1luf h GLU 808 CO -0.11 0.80 -0.16 0.93 -1.40 0.00 0.00 179.01 179.07 1luf h GLU 809 N 1.16 0.24 -0.39 2.33 5.08 -1.75 -2.46 114.58 118.79 1luf h GLU 809 Ca 0.31 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.54 1luf h GLU 809 Cb -0.06 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1luf h GLU 809 CO -0.06 0.40 -0.00 0.28 -1.00 0.00 0.00 179.01 178.63 1luf h VAL 810 N 0.23 1.26 -0.68 3.13 2.07 -0.50 -0.36 116.25 121.40 1luf h VAL 810 Ca 0.04 -1.01 0.04 0.00 0.82 0.00 0.00 66.70 66.59 1luf h VAL 810 Cb 0.42 1.14 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 1luf h VAL 810 CO 0.03 0.34 0.41 0.40 0.02 0.00 0.00 177.57 178.77 1luf h ILE 811 N 0.52 1.05 -0.19 4.57 2.04 -0.99 0.91 117.51 125.42 1luf h ILE 811 Ca 0.11 -0.27 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 1luf h ILE 811 Cb 0.48 0.20 -0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1luf h ILE 811 CO 0.02 0.14 -0.15 1.88 0.00 0.00 0.00 178.15 180.04 1luf h TYR 812 N 0.79 0.53 -0.67 1.37 0.05 -1.26 0.12 116.97 117.88 1luf h TYR 812 Ca 0.28 -0.15 0.05 0.00 0.05 0.00 0.00 58.73 58.96 1luf h TYR 812 Cb 0.07 -0.11 -0.05 0.00 1.01 0.00 0.00 36.73 37.65 1luf h TYR 812 CO -0.05 0.78 0.39 -0.92 -1.05 0.00 0.00 178.16 177.31 1luf h TYR 813 N 0.12 0.71 -0.11 4.88 3.20 -0.77 0.25 116.97 125.25 1luf h TYR 813 Ca 0.04 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.73 1luf h TYR 813 Cb 0.68 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.72 1luf h TYR 813 CO 0.07 0.36 -0.75 0.28 -1.64 0.00 0.00 178.16 176.48 1luf h VAL 814 N 0.73 1.34 0.00 1.81 2.07 -0.77 -1.74 116.25 119.68 1luf h VAL 814 Ca 0.29 -2.08 -0.07 0.00 0.82 0.00 0.00 66.70 65.67 1luf h VAL 814 Cb 0.14 2.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 1luf h VAL 814 CO -0.16 0.64 -0.33 -0.09 0.02 0.00 0.00 177.57 177.65 1luf h ARG 815 N 0.38 0.00 0.00 1.57 2.43 -0.20 -1.68 114.38 116.88 1luf h ARG 815 Ca -0.04 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1luf h ARG 815 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 1luf h ARG 815 CO 0.14 0.33 0.00 -0.25 -1.51 0.00 0.00 179.97 178.68 1luf n ASP 816 N -3.91 0.00 0.00 -3.80 8.00 0.03 -4.88 116.55 111.99 1luf n ASP 816 Ca -0.02 -0.87 0.00 0.00 0.71 0.00 0.00 54.79 54.61 1luf n ASP 816 Cb 0.40 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1luf n ASP 816 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1luf n GLY 817 N 0.91 0.62 3.90 0.44 0.00 -0.63 -5.06 105.19 105.36 1luf n GLY 817 Ca 0.22 -0.34 -0.28 0.00 0.00 0.00 0.00 46.02 45.61 1luf n GLY 817 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1luf s ASN 818 N -2.31 6.41 0.28 1.61 0.01 -0.66 -5.03 114.94 115.25 1luf s ASN 818 Ca 0.00 0.90 0.02 0.00 -0.71 0.00 0.00 52.86 53.07 1luf s ASN 818 Cb 0.00 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.39 1luf s ASN 818 CO 0.00 -0.39 0.13 0.27 -1.51 0.00 0.00 177.10 175.60 1luf s ILE 819 N -2.40 0.41 0.61 0.60 -4.36 -1.26 -4.33 121.20 110.48 1luf s ILE 819 Ca 0.47 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.68 1luf s ILE 819 Cb -0.10 -2.56 -0.02 0.00 1.25 0.00 0.00 42.46 41.02 1luf s ILE 819 CO 0.35 0.00 1.20 -0.76 0.24 0.00 0.00 174.94 175.97 1luf s LEU 820 N -3.34 3.60 0.73 0.37 1.43 -1.26 -5.02 118.68 115.19 1luf s LEU 820 Ca 0.36 2.36 -0.08 0.00 -1.03 0.00 0.00 54.13 55.74 1luf s LEU 820 Cb 0.06 -4.59 0.06 0.00 0.03 0.00 0.00 46.19 41.75 1luf s LEU 820 CO 0.16 -1.68 1.05 0.00 0.23 0.00 0.00 176.35 176.11 1luf s ALA 821 N -1.69 3.05 -0.09 4.21 0.00 -1.26 -5.03 121.76 120.95 1luf s ALA 821 Ca 0.76 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 1luf s ALA 821 Cb -0.30 -2.68 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 1luf s ALA 821 CO 0.35 -1.38 1.02 0.00 0.00 0.00 0.00 175.76 175.75 1luf s PRO 823 N 1.91 2.94 0.13 0.00 0.02 -1.26 -4.91 135.00 133.83 1luf s PRO 823 Ca 0.49 2.02 -0.31 0.00 0.02 0.00 0.00 61.00 63.22 1luf s PRO 823 Cb -0.19 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1luf s PRO 823 CO 0.19 -1.28 1.70 -1.21 -0.33 0.00 0.00 177.00 176.07 1luf s GLU 824 N -3.18 4.17 0.00 5.54 0.41 -1.26 -1.48 118.70 122.91 1luf s GLU 824 Ca 0.76 2.46 0.00 0.00 -0.41 0.00 0.00 54.97 57.79 1luf s GLU 824 Cb -0.35 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.59 1luf s GLU 824 CO 0.39 -0.74 0.00 0.09 -0.49 0.00 0.00 175.26 174.52 1luf n ASN 825 N 4.96 -0.91 -4.60 -0.19 4.13 -1.26 -4.98 115.26 112.42 1luf n ASN 825 Ca 0.16 0.00 -0.43 0.00 1.68 0.00 0.00 54.58 55.99 1luf n ASN 825 Cb 0.38 -0.15 -0.03 0.00 -1.54 0.00 0.00 39.78 38.44 1luf n ASN 825 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1luf n PRO 827 N 6.94 0.92 -0.28 0.00 -0.04 -1.26 -4.71 135.00 136.57 1luf n PRO 827 Ca 0.08 0.33 0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1luf n PRO 827 Cb 0.48 -1.82 0.19 0.00 -0.04 0.00 0.00 33.50 32.31 1luf n PRO 827 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1luf h LEU 828 N 3.38 0.52 -1.44 1.53 5.85 -1.98 0.40 115.31 123.58 1luf h LEU 828 Ca -0.44 0.08 0.12 0.00 0.84 0.00 0.00 57.88 58.48 1luf h LEU 828 Cb 1.36 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.33 1luf h LEU 828 CO 0.70 0.25 0.51 -0.33 -0.34 0.00 0.00 178.44 179.23 1luf h GLU 829 N 0.64 0.58 0.05 1.25 5.08 -1.99 0.20 114.58 120.38 1luf h GLU 829 Ca 0.42 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.47 1luf h GLU 829 Cb 0.53 -0.13 0.03 0.00 0.50 0.00 0.00 28.75 29.68 1luf h GLU 829 CO -0.32 0.38 -1.13 1.25 -1.00 0.00 0.00 179.01 178.19 1luf h LEU 830 N 0.59 0.91 -1.13 1.33 5.85 -1.30 -2.99 115.31 118.57 1luf h LEU 830 Ca 0.37 -0.77 -0.02 0.00 0.84 0.00 0.00 57.88 58.30 1luf h LEU 830 Cb 0.62 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 1luf h LEU 830 CO -0.14 1.57 0.34 0.22 -0.34 0.00 0.00 178.44 180.10 1luf h TYR 831 N 0.35 0.94 -0.07 1.25 3.20 -0.09 -1.19 116.97 121.36 1luf h TYR 831 Ca -0.16 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.64 1luf h TYR 831 Cb 1.79 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.75 1luf h TYR 831 CO 0.11 0.68 -0.16 -0.91 -1.64 0.00 0.00 178.16 176.23 1luf h ASN 832 N 0.95 0.10 -0.30 -2.11 -0.26 -0.66 -0.50 115.58 112.80 1luf h ASN 832 Ca 0.24 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.83 1luf h ASN 832 Cb 0.07 -0.03 -0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1luf h ASN 832 CO -0.03 0.28 -0.32 0.25 -1.06 0.00 0.00 177.43 176.55 1luf h LEU 833 N 0.10 0.81 -0.31 1.61 6.46 -1.10 -2.26 115.31 120.62 1luf h LEU 833 Ca 0.02 -0.48 0.05 0.00 -0.12 0.00 0.00 57.88 57.36 1luf h LEU 833 Cb 0.36 -0.23 -0.05 0.00 -0.73 0.00 0.00 40.66 40.01 1luf h LEU 833 CO 0.02 1.12 0.02 0.24 -0.62 0.00 0.00 178.44 179.22 1luf h MET 834 N 0.51 0.11 -0.70 1.25 2.86 -0.40 -0.65 114.93 117.91 1luf h MET 834 Ca 0.05 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.80 1luf h MET 834 Cb 0.90 -0.03 -0.09 0.00 0.06 0.00 0.00 31.60 32.45 1luf h MET 834 CO 0.08 0.07 0.27 0.00 1.06 0.00 0.00 176.91 178.39 1luf h ARG 835 N 0.12 0.42 -0.83 1.72 3.08 -0.95 -0.24 114.38 117.69 1luf h ARG 835 Ca 0.15 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.14 1luf h ARG 835 Cb 0.19 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.11 1luf h ARG 835 CO -0.24 0.28 0.38 -0.07 -1.07 0.00 0.00 179.97 179.25 1luf h LEU 836 N 0.43 1.10 -1.73 3.04 3.38 -0.63 -2.04 115.31 118.86 1luf h LEU 836 Ca 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1luf h LEU 836 Cb 0.53 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1luf h LEU 836 CO -0.37 0.94 -0.16 0.00 0.09 0.00 0.00 178.44 178.94 1luf n TRP 838 N -3.69 2.71 -2.31 0.00 8.01 -0.50 -3.75 117.44 117.91 1luf n TRP 838 Ca -0.02 -1.58 -0.40 0.00 -1.31 0.00 0.00 57.50 54.19 1luf n TRP 838 Cb 0.28 -0.83 -0.03 0.00 -2.01 0.00 0.00 31.31 28.72 1luf n TRP 838 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.69 175.56 1luf s SER 839 N -1.06 6.95 0.20 -0.99 0.01 -1.02 -4.93 113.70 112.85 1luf s SER 839 Ca 0.52 2.44 -0.10 0.00 1.31 0.00 0.00 55.95 60.12 1luf s SER 839 Cb 0.44 -2.63 0.13 0.00 0.21 0.00 0.00 66.02 64.16 1luf s SER 839 CO 0.11 -0.38 1.79 0.50 0.41 0.00 0.00 173.24 175.66 1luf h LYS 840 N 3.43 1.03 -6.03 12.44 3.64 -1.93 -3.40 116.57 125.76 1luf h LYS 840 Ca -0.48 -0.15 -0.59 0.00 -1.27 0.00 0.00 60.65 58.16 1luf h LYS 840 Cb 1.22 -0.19 -0.08 0.00 -0.41 0.00 0.00 32.23 32.77 1luf h LYS 840 CO 0.65 0.80 0.62 -1.17 -2.27 0.00 0.00 179.45 178.09 1luf s LEU 841 N -9.85 4.02 0.28 5.20 2.96 -1.26 -4.88 118.68 115.16 1luf s LEU 841 Ca -0.13 0.88 0.02 0.00 -0.22 0.00 0.00 54.13 54.68 1luf s LEU 841 Cb 0.14 -3.31 0.68 0.00 0.50 0.00 0.00 46.19 44.21 1luf s LEU 841 CO 0.81 -0.74 1.68 -0.65 -1.32 0.00 0.00 176.35 176.13 1luf h PRO 842 N 8.06 0.32 -0.04 0.98 0.11 -1.96 0.19 132.00 139.67 1luf h PRO 842 Ca -0.22 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.88 1luf h PRO 842 Cb 1.08 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.11 1luf h PRO 842 CO 0.96 0.21 0.06 0.00 -0.21 0.00 0.00 178.00 179.02 1luf h ALA 843 N 1.71 1.40 -0.00 -0.75 0.00 -1.94 -1.88 119.26 117.80 1luf h ALA 843 Ca 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.44 1luf h ALA 843 Cb 1.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1luf h ALA 843 CO -0.56 -0.08 -0.12 -0.25 0.00 0.00 0.00 179.25 178.24 1luf n ASP 844 N -3.53 0.12 -4.80 0.00 8.00 0.66 -4.89 116.55 112.12 1luf n ASP 844 Ca -0.02 0.31 -0.35 0.00 0.71 0.00 0.00 54.79 55.44 1luf n ASP 844 Cb 0.15 -0.32 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 1luf n ASP 844 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1luf s ARG 845 N -3.00 4.35 0.88 -1.24 0.52 -0.71 -4.90 118.95 114.86 1luf s ARG 845 Ca 0.13 1.27 -0.10 0.00 -0.52 0.00 0.00 55.73 56.51 1luf s ARG 845 Cb 0.19 -2.49 0.13 0.00 0.52 0.00 0.00 34.95 33.29 1luf s ARG 845 CO 0.57 0.07 1.14 -2.14 0.02 0.00 0.00 175.30 174.96 1luf s PRO 846 N -2.61 1.25 0.48 3.54 0.02 -1.26 -5.01 135.00 131.42 1luf s PRO 846 Ca 0.57 1.51 -0.05 0.00 0.02 0.00 0.00 61.00 63.05 1luf s PRO 846 Cb -0.15 -1.76 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 1luf s PRO 846 CO 0.20 -2.45 0.78 -1.54 -0.33 0.00 0.00 177.00 173.65 1luf s SER 847 N -2.73 6.17 0.40 2.53 1.04 -1.26 -4.92 113.70 114.92 1luf s SER 847 Ca 0.66 0.84 0.14 0.00 0.48 0.00 0.00 55.95 58.08 1luf s SER 847 Cb -0.22 -2.14 0.82 0.00 0.10 0.00 0.00 66.02 64.58 1luf s SER 847 CO 0.57 -0.62 1.87 -0.26 0.98 0.00 0.00 173.24 175.78 1luf h PHE 848 N 0.22 0.00 -0.14 5.02 0.04 -1.94 -0.84 116.94 119.30 1luf h PHE 848 Ca -0.47 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 1luf h PHE 848 Cb 1.21 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.36 1luf h PHE 848 CO 0.56 0.32 0.08 0.00 -0.60 0.00 0.00 178.31 178.67 1luf h SER 850 N 0.15 0.44 -0.64 0.00 0.02 -1.86 -0.62 113.55 111.05 1luf h SER 850 Ca 0.05 -0.13 0.05 0.00 -0.84 0.00 0.00 61.79 60.92 1luf h SER 850 Cb 0.03 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 1luf h SER 850 CO -0.01 0.45 0.36 0.40 -1.14 0.00 0.00 176.83 176.89 1luf h ILE 851 N 0.40 0.99 -0.32 3.27 2.04 -0.90 0.11 117.51 123.10 1luf h ILE 851 Ca 0.11 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1luf h ILE 851 Cb 0.13 0.25 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 1luf h ILE 851 CO -0.01 0.12 0.13 -0.74 0.00 0.00 0.00 178.15 177.65 1luf h HIS 852 N 0.67 0.49 -0.51 1.37 2.76 -0.35 -0.48 115.15 119.10 1luf h HIS 852 Ca 0.28 -0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.41 1luf h HIS 852 Cb 0.15 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.93 1luf h HIS 852 CO -0.08 0.46 0.32 0.00 -1.30 0.00 0.00 177.93 177.33 1luf h ARG 853 N 0.37 0.69 -0.06 5.26 -0.00 -0.59 0.40 114.38 120.45 1luf h ARG 853 Ca 0.11 -0.06 0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1luf h ARG 853 Cb 0.18 -0.15 -0.00 0.00 0.00 0.00 0.00 29.97 30.00 1luf h ARG 853 CO -0.01 0.49 0.04 0.82 0.00 0.00 0.00 179.97 181.31 1luf h ILE 854 N 0.69 1.02 -0.47 2.04 2.04 -0.54 0.19 117.51 122.47 1luf h ILE 854 Ca 0.19 -0.03 -0.09 0.00 1.00 0.00 0.00 64.86 65.93 1luf h ILE 854 Cb -0.03 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1luf h ILE 854 CO -0.04 0.01 -0.07 -0.07 0.00 0.00 0.00 178.15 177.99 1luf h LEU 855 N 0.07 0.80 -0.37 1.44 3.38 -0.90 -1.19 115.31 118.55 1luf h LEU 855 Ca 0.02 -0.23 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1luf h LEU 855 Cb -0.01 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.49 1luf h LEU 855 CO -0.00 0.91 0.18 -0.61 0.09 0.00 0.00 178.44 179.01 1luf h GLN 856 N 0.75 0.36 0.36 1.13 4.15 0.24 -1.81 115.11 120.30 1luf h GLN 856 Ca 0.13 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.51 1luf h GLN 856 Cb 0.56 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.17 1luf h GLN 856 CO 0.03 0.24 -0.17 0.00 -1.93 0.00 0.00 178.83 177.00 1luf h ARG 857 N 0.37 -0.47 0.00 1.69 3.08 -0.28 -2.76 114.38 116.01 1luf h ARG 857 Ca 0.16 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1luf h ARG 857 Cb 0.07 0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.23 1luf h ARG 857 CO -0.11 -0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.57 1luf n MET 858 N -5.23 0.49 0.00 0.04 0.00 -0.48 -0.86 117.12 111.08 1luf n MET 858 Ca -0.10 0.00 0.12 0.00 0.00 0.00 0.00 57.70 57.72 1luf n MET 858 Cb 0.25 -1.23 0.19 0.00 0.00 0.00 0.00 33.22 32.44 1luf n MET 858 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97