#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjb s GLU 573 N 0.00 0.54 0.37 2.98 2.12 -1.26 -4.90 118.70 118.55 1rjb s GLU 573 Ca 0.00 0.79 -0.26 0.00 0.36 0.00 0.00 54.97 55.86 1rjb s GLU 573 Cb 0.00 0.19 -0.09 0.00 0.26 0.00 0.00 34.13 34.49 1rjb s GLU 573 CO 0.00 -0.09 1.08 0.45 -0.54 0.00 0.00 175.26 176.17 1rjb s SER 574 N 0.87 6.85 0.00 -1.70 0.15 -1.26 -4.90 113.70 113.71 1rjb s SER 574 Ca -0.04 2.16 0.28 0.00 0.70 0.00 0.00 55.95 59.05 1rjb s SER 574 Cb -0.05 -2.60 0.98 0.00 -1.71 0.00 0.00 66.02 62.64 1rjb s SER 574 CO -0.11 -0.44 1.71 0.00 1.20 0.00 0.00 173.24 175.60 1rjb n GLN 575 N 0.29 0.85 -3.03 5.44 1.13 -1.26 -4.66 117.38 116.14 1rjb n GLN 575 Ca 0.03 -0.42 -0.41 0.00 -1.94 0.00 0.00 57.00 54.26 1rjb n GLN 575 Cb 0.48 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.28 1rjb n GLN 575 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 1rjb s LEU 576 N -2.44 4.10 0.01 1.08 2.96 -1.26 -0.74 118.68 122.39 1rjb s LEU 576 Ca 0.28 0.65 -0.00 0.00 -0.22 0.00 0.00 54.13 54.83 1rjb s LEU 576 Cb 0.20 -2.96 -0.01 0.00 0.50 0.00 0.00 46.19 43.91 1rjb s LEU 576 CO 0.48 -0.51 -0.01 -1.10 -1.32 0.00 0.00 176.35 173.89 1rjb s GLN 577 N 2.74 0.22 0.11 1.98 -0.21 -0.24 -5.00 119.66 119.26 1rjb s GLN 577 Ca 0.29 -0.41 -0.17 0.00 0.02 0.00 0.00 55.36 55.08 1rjb s GLN 577 Cb -0.15 0.08 -0.07 0.00 1.00 0.00 0.00 33.01 33.87 1rjb s GLN 577 CO 0.11 -0.04 0.57 1.41 -2.12 0.00 0.00 175.29 175.23 1rjb s MET 578 N -1.01 4.12 0.24 2.91 -2.45 -1.26 -0.21 119.30 121.64 1rjb s MET 578 Ca -0.11 0.65 0.05 0.00 -1.25 0.00 0.00 55.69 55.03 1rjb s MET 578 Cb -0.07 -3.09 -0.05 0.00 1.25 0.00 0.00 34.83 32.87 1rjb s MET 578 CO -0.01 0.56 -0.04 0.14 1.05 0.00 0.00 175.02 176.72 1rjb s VAL 579 N -1.28 1.31 -0.14 10.11 -7.23 -0.14 -0.73 120.40 122.30 1rjb s VAL 579 Ca 0.34 -2.08 -0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1rjb s VAL 579 Cb -0.17 -2.33 0.04 0.00 0.56 0.00 0.00 36.38 34.48 1rjb s VAL 579 CO 0.19 -0.36 0.00 -1.58 -0.31 0.00 0.00 175.10 173.05 1rjb s GLN 580 N -3.79 0.81 0.17 4.82 0.74 -0.48 -4.75 119.66 117.18 1rjb s GLN 580 Ca 0.28 -0.25 -0.30 0.00 0.05 0.00 0.00 55.36 55.14 1rjb s GLN 580 Cb 0.04 -1.68 -0.08 0.00 1.10 0.00 0.00 33.01 32.40 1rjb s GLN 580 CO 0.09 -0.47 1.17 0.08 -0.55 0.00 0.00 175.29 175.61 1rjb s VAL 581 N 1.85 3.71 -0.11 1.34 1.01 -1.26 -1.92 120.40 125.02 1rjb s VAL 581 Ca 0.02 1.42 0.10 0.00 0.00 0.00 0.00 61.98 63.51 1rjb s VAL 581 Cb -0.15 -3.90 -0.14 0.00 0.00 0.00 0.00 36.38 32.19 1rjb s VAL 581 CO -0.07 0.21 0.26 0.41 0.00 0.00 0.00 175.10 175.91 1rjb n THR 582 N 2.67 0.00 -3.59 3.92 -1.04 0.13 -4.92 114.28 111.45 1rjb n THR 582 Ca 0.05 -0.23 -0.05 0.00 -2.04 0.00 0.00 64.05 61.77 1rjb n THR 582 Cb 0.45 0.44 -0.00 0.00 -1.82 0.00 0.00 70.33 69.40 1rjb n THR 582 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1rjb n GLY 583 N 1.78 2.38 0.08 3.41 0.00 -1.07 -4.98 105.19 106.80 1rjb n GLY 583 Ca -0.01 -1.34 0.12 0.00 0.00 0.00 0.00 46.02 44.79 1rjb n GLY 583 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1rjb h SER 584 N 0.72 0.00 -3.76 1.61 4.64 -1.98 -3.46 113.55 111.33 1rjb h SER 584 Ca -0.11 -0.16 -0.49 0.00 -0.47 0.00 0.00 61.79 60.57 1rjb h SER 584 Cb 0.44 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.51 1rjb h SER 584 CO 0.14 0.08 0.32 -0.55 -0.87 0.00 0.00 176.83 175.95 1rjb s SER 585 N -4.55 7.50 0.34 4.97 0.15 -1.26 -4.96 113.70 115.89 1rjb s SER 585 Ca 0.05 1.86 0.13 0.00 0.70 0.00 0.00 55.95 58.69 1rjb s SER 585 Cb 0.12 -2.58 1.03 0.00 -1.71 0.00 0.00 66.02 62.88 1rjb s SER 585 CO 0.73 0.09 1.69 0.44 1.20 0.00 0.00 173.24 177.39 1rjb h ASP 586 N 3.85 0.57 -0.04 5.45 5.19 -2.05 0.03 116.42 129.42 1rjb h ASP 586 Ca -0.46 0.17 0.00 0.00 -0.62 0.00 0.00 57.03 56.12 1rjb h ASP 586 Cb 1.20 0.10 0.00 0.00 0.18 0.00 0.00 39.33 40.80 1rjb h ASP 586 CO 0.67 -0.05 0.00 -0.46 -3.12 0.00 0.00 179.24 176.28 1rjb n ASN 587 N -4.97 0.85 -4.45 6.45 6.94 -1.26 -4.62 115.26 114.21 1rjb n ASN 587 Ca 0.30 -1.40 -0.44 0.00 -0.02 0.00 0.00 54.58 53.02 1rjb n ASN 587 Cb 0.91 -0.02 -0.01 0.00 -2.36 0.00 0.00 39.78 38.30 1rjb n ASN 587 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1rjb s GLU 588 N -1.95 4.01 0.05 -3.83 2.02 -0.00 -4.88 118.70 114.11 1rjb s GLU 588 Ca 0.37 -2.50 -0.28 0.00 0.02 0.00 0.00 54.97 52.58 1rjb s GLU 588 Cb 0.19 -4.98 0.09 0.00 0.10 0.00 0.00 34.13 29.53 1rjb s GLU 588 CO 0.30 -1.71 0.97 1.52 0.02 0.00 0.00 175.26 176.37 1rjb s TYR 589 N 1.46 -0.22 0.05 1.61 -0.85 -1.26 0.20 117.35 118.34 1rjb s TYR 589 Ca 0.39 0.02 -0.01 0.00 -0.52 0.00 0.00 57.07 56.95 1rjb s TYR 589 Cb -0.04 0.58 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1rjb s TYR 589 CO -0.02 -0.62 -0.02 -0.59 -1.52 0.00 0.00 175.55 172.78 1rjb s PHE 590 N -3.09 0.48 0.09 -3.49 -0.12 -0.81 -4.90 117.98 106.15 1rjb s PHE 590 Ca 0.09 -0.99 -0.25 0.00 -0.05 0.00 0.00 56.93 55.72 1rjb s PHE 590 Cb -0.01 -0.35 -0.06 0.00 -0.63 0.00 0.00 43.02 41.97 1rjb s PHE 590 CO -0.04 -0.37 0.78 0.71 -0.05 0.00 0.00 175.22 176.26 1rjb s TYR 591 N -3.68 3.80 -0.15 3.49 1.51 -1.26 -1.38 117.35 119.69 1rjb s TYR 591 Ca 0.05 1.56 -0.29 0.00 -1.01 0.00 0.00 57.07 57.37 1rjb s TYR 591 Cb 0.06 -2.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.08 1rjb s TYR 591 CO -0.09 0.35 1.08 0.08 -1.11 0.00 0.00 175.55 175.86 1rjb s VAL 592 N -0.43 4.60 -0.25 0.71 1.01 0.09 -4.93 120.40 121.21 1rjb s VAL 592 Ca 0.38 1.91 -0.07 0.00 0.00 0.00 0.00 61.98 64.19 1rjb s VAL 592 Cb -0.22 -4.23 -0.03 0.00 0.00 0.00 0.00 36.38 31.91 1rjb s VAL 592 CO 0.25 -0.07 0.07 -0.62 0.00 0.00 0.00 175.10 174.72 1rjb s ASP 593 N 1.30 5.14 0.00 3.32 -1.08 -1.26 -4.63 116.67 119.47 1rjb s ASP 593 Ca 0.49 -0.23 0.15 0.00 -0.52 0.00 0.00 52.55 52.45 1rjb s ASP 593 Cb -0.19 -1.92 0.64 0.00 -1.46 0.00 0.00 42.92 39.99 1rjb s ASP 593 CO 0.14 -0.04 1.45 0.49 0.52 0.00 0.00 175.17 177.73 1rjb n PHE 594 N 4.93 0.19 -0.29 -5.34 3.01 -1.26 -4.32 117.46 114.37 1rjb n PHE 594 Ca -0.16 -0.10 0.06 0.00 1.01 0.00 0.00 57.45 58.26 1rjb n PHE 594 Cb 0.51 0.00 0.20 0.00 -0.01 0.00 0.00 39.48 40.19 1rjb n PHE 594 CO 0.00 0.00 0.00 -0.09 1.01 0.00 0.00 176.76 177.68 1rjb h ARG 595 N 1.37 0.66 -0.00 -1.08 2.43 -1.92 -0.38 114.38 115.47 1rjb h ARG 595 Ca 0.00 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1rjb h ARG 595 Cb 0.31 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1rjb h ARG 595 CO 0.00 0.44 -0.06 0.39 -1.51 0.00 0.00 179.97 179.23 1rjb n GLU 596 N -4.82 0.21 -1.94 0.20 -0.58 -1.26 -4.88 120.64 107.57 1rjb n GLU 596 Ca 0.16 -0.03 -0.30 0.00 -0.42 0.00 0.00 57.16 56.58 1rjb n GLU 596 Cb 0.38 -1.50 0.05 0.00 -0.57 0.00 0.00 31.44 29.80 1rjb n GLU 596 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1rjb s TYR 597 N -2.81 3.26 0.01 -0.32 1.51 -0.15 -5.07 117.35 113.78 1rjb s TYR 597 Ca 0.20 0.96 -0.01 0.00 -1.01 0.00 0.00 57.07 57.21 1rjb s TYR 597 Cb 0.19 -3.11 -0.04 0.00 -0.11 0.00 0.00 41.96 38.90 1rjb s TYR 597 CO 0.52 -1.24 0.13 -1.21 -1.11 0.00 0.00 175.55 172.64 1rjb s GLU 598 N -5.36 3.22 -0.03 -0.62 0.41 -1.26 -5.07 118.70 109.99 1rjb s GLU 598 Ca 0.58 -0.44 -0.25 0.00 -0.41 0.00 0.00 54.97 54.45 1rjb s GLU 598 Cb -0.11 -2.95 -0.04 0.00 -1.78 0.00 0.00 34.13 29.25 1rjb s GLU 598 CO 0.51 0.64 0.77 -0.47 -0.49 0.00 0.00 175.26 176.22 1rjb s TYR 599 N -1.30 3.62 -0.44 1.61 6.14 -1.26 -5.01 117.35 120.70 1rjb s TYR 599 Ca 0.27 1.38 -0.28 0.00 0.64 0.00 0.00 57.07 59.07 1rjb s TYR 599 Cb -0.12 -2.87 0.03 0.00 0.42 0.00 0.00 41.96 39.41 1rjb s TYR 599 CO 0.18 0.10 1.08 0.34 0.64 0.00 0.00 175.55 177.89 1rjb s ASP 600 N 0.69 6.67 0.00 4.32 3.68 -1.26 -4.91 116.67 125.86 1rjb s ASP 600 Ca 0.41 0.52 0.05 0.00 2.13 0.00 0.00 52.55 55.66 1rjb s ASP 600 Cb -0.19 -2.53 0.29 0.00 -1.45 0.00 0.00 42.92 39.04 1rjb s ASP 600 CO 0.21 -1.13 0.97 0.18 0.13 0.00 0.00 175.17 175.53 1rjb n LEU 601 N 7.50 0.00 0.10 -1.34 4.77 -1.26 -2.32 117.00 124.45 1rjb n LEU 601 Ca 0.11 0.23 0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1rjb n LEU 601 Cb 0.49 -0.23 0.45 0.00 -2.33 0.00 0.00 43.42 41.80 1rjb n LEU 601 CO 0.67 -0.19 0.82 2.29 -1.33 0.00 0.00 177.39 179.66 1rjb n LYS 602 N -1.23 0.15 0.04 3.23 2.85 -1.26 -2.09 118.16 119.86 1rjb n LYS 602 Ca 0.03 0.38 0.12 0.00 -1.05 0.00 0.00 58.31 57.79 1rjb n LYS 602 Cb 0.04 -1.78 0.25 0.00 -0.65 0.00 0.00 35.03 32.89 1rjb n LYS 602 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 177.40 178.26 1rjb n TRP 603 N -2.05 0.41 -1.79 5.58 7.02 -0.98 -4.92 117.44 120.71 1rjb n TRP 603 Ca 0.02 0.12 -0.42 0.00 -1.02 0.00 0.00 57.50 56.20 1rjb n TRP 603 Cb 0.21 -0.57 -0.03 0.00 -2.42 0.00 0.00 31.31 28.50 1rjb n TRP 603 CO 0.00 0.00 0.00 -2.00 -2.02 0.00 0.00 177.69 173.67 1rjb s GLU 604 N -3.11 4.15 0.09 -0.99 2.56 -0.89 -1.47 118.70 119.05 1rjb s GLU 604 Ca 0.08 2.53 0.10 0.00 0.00 0.00 0.00 54.97 57.68 1rjb s GLU 604 Cb 0.15 -3.26 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 1rjb s GLU 604 CO 0.69 -0.74 -0.27 0.12 -0.56 0.00 0.00 175.26 174.50 1rjb s PHE 605 N 1.66 2.32 -0.06 5.30 5.36 0.99 -4.85 117.98 128.69 1rjb s PHE 605 Ca 0.75 -0.39 -0.30 0.00 -0.96 0.00 0.00 56.93 56.03 1rjb s PHE 605 Cb -0.47 -1.31 -0.04 0.00 -0.34 0.00 0.00 43.02 40.86 1rjb s PHE 605 CO 0.33 0.25 1.46 -2.14 -1.46 0.00 0.00 175.22 173.66 1rjb s PRO 606 N -1.73 4.23 0.57 10.12 0.02 -1.26 -4.49 135.00 142.47 1rjb s PRO 606 Ca 0.13 1.97 0.38 0.00 0.02 0.00 0.00 61.00 63.50 1rjb s PRO 606 Cb -0.10 -3.76 1.87 0.00 0.02 0.00 0.00 34.50 32.52 1rjb s PRO 606 CO 0.04 -0.70 2.14 0.07 -0.33 0.00 0.00 177.00 178.22 1rjb h ARG 607 N 8.52 0.00 0.00 5.54 0.11 -1.98 -1.24 114.38 125.33 1rjb h ARG 607 Ca -0.35 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1rjb h ARG 607 Cb 1.16 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.24 1rjb h ARG 607 CO 0.94 0.00 0.00 1.05 0.10 0.00 0.00 179.97 182.06 1rjb h GLU 608 N 0.00 0.00 -0.23 0.08 4.11 -2.03 -2.76 114.58 113.75 1rjb h GLU 608 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1rjb h GLU 608 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 1rjb h GLU 608 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 179.01 179.17 1rjb n ASN 609 N -2.84 0.91 -4.46 3.06 5.03 -0.47 -4.75 115.26 111.74 1rjb n ASN 609 Ca 0.02 -2.02 -0.35 0.00 0.87 0.00 0.00 54.58 53.10 1rjb n ASN 609 Cb 0.36 -0.15 -0.12 0.00 -1.02 0.00 0.00 39.78 38.85 1rjb n ASN 609 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1rjb s LEU 610 N -0.95 3.35 -0.42 3.41 1.43 -1.04 -0.06 118.68 124.39 1rjb s LEU 610 Ca 0.10 -0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 52.94 1rjb s LEU 610 Cb 0.05 -1.86 0.09 0.00 0.03 0.00 0.00 46.19 44.51 1rjb s LEU 610 CO 0.06 0.04 0.25 -0.70 0.23 0.00 0.00 176.35 176.24 1rjb s GLU 611 N 1.15 2.42 0.25 1.70 2.12 0.16 -4.92 118.70 121.57 1rjb s GLU 611 Ca 0.03 -1.61 -0.30 0.00 0.36 0.00 0.00 54.97 53.45 1rjb s GLU 611 Cb -0.14 -3.73 -0.10 0.00 0.26 0.00 0.00 34.13 30.42 1rjb s GLU 611 CO 0.02 -1.02 1.33 -0.06 -0.54 0.00 0.00 175.26 174.98 1rjb s PHE 612 N 1.33 3.17 0.00 5.30 0.40 -1.26 -0.34 117.98 126.57 1rjb s PHE 612 Ca 0.04 1.26 0.00 0.00 -0.60 0.00 0.00 56.93 57.63 1rjb s PHE 612 Cb -0.24 -3.65 0.00 0.00 0.51 0.00 0.00 43.02 39.64 1rjb s PHE 612 CO -0.00 -1.98 0.00 0.41 0.70 0.00 0.00 175.22 174.35 1rjb n GLY 613 N 1.84 2.30 3.86 4.36 0.00 0.07 -4.91 105.19 112.71 1rjb n GLY 613 Ca 0.04 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.32 1rjb n GLY 613 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rjb s LYS 614 N 4.26 3.78 0.11 1.61 -2.85 -1.26 -4.68 119.74 120.72 1rjb s LYS 614 Ca 0.00 0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 55.40 1rjb s LYS 614 Cb 0.00 -2.20 -0.06 0.00 -2.06 0.00 0.00 37.83 33.51 1rjb s LYS 614 CO 0.00 -0.30 1.13 0.08 0.10 0.00 0.00 175.35 176.37 1rjb s VAL 615 N -2.73 4.04 -0.18 1.79 1.01 -1.26 -0.04 120.40 123.02 1rjb s VAL 615 Ca 0.55 1.59 0.19 0.00 0.00 0.00 0.00 61.98 64.31 1rjb s VAL 615 Cb -0.10 -4.01 -0.05 0.00 0.00 0.00 0.00 36.38 32.21 1rjb s VAL 615 CO 0.39 0.19 0.97 -0.07 0.00 0.00 0.00 175.10 176.58 1rjb h LEU 616 N 6.02 0.00 0.00 3.92 3.38 -0.96 -3.46 115.31 124.20 1rjb h LEU 616 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1rjb h LEU 616 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1rjb h LEU 616 CO 0.76 0.31 0.00 0.61 0.09 0.00 0.00 178.44 180.21 1rjb n GLY 617 N 1.29 1.88 3.18 0.83 0.00 -1.18 -5.00 105.19 106.18 1rjb n GLY 617 Ca -0.05 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 1rjb n GLY 617 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rjb s SER 618 N 0.00 0.76 0.00 1.61 0.15 -1.04 -2.10 113.70 113.08 1rjb s SER 618 Ca 0.00 -1.15 0.00 0.00 0.70 0.00 0.00 55.95 55.50 1rjb s SER 618 Cb 0.00 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.51 1rjb s SER 618 CO 0.00 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.42 1rjb n GLY 619 N -0.12 2.97 0.21 9.45 0.00 -0.53 -2.45 105.19 114.71 1rjb n GLY 619 Ca -0.07 -0.99 0.07 0.00 0.00 0.00 0.00 46.02 45.03 1rjb n GLY 619 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjb h ALA 620 N 1.82 1.10 0.00 4.61 0.00 -1.87 -3.30 119.26 121.61 1rjb h ALA 620 Ca 0.00 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 1rjb h ALA 620 Cb 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1rjb h ALA 620 CO 0.00 0.38 -1.93 1.19 0.00 0.00 0.00 179.25 178.89 1rjb n PHE 621 N -3.60 0.00 0.00 0.00 3.72 -1.26 -4.90 117.46 111.42 1rjb n PHE 621 Ca -0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.39 1rjb n PHE 621 Cb 0.43 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 38.51 1rjb n PHE 621 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rjb n GLY 622 N 1.37 -0.69 3.81 1.37 0.00 -1.24 -0.27 105.19 109.53 1rjb n GLY 622 Ca -0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.53 1rjb n GLY 622 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rjb s LYS 623 N -1.08 1.54 -0.15 1.61 -2.85 -0.31 -1.45 119.74 117.05 1rjb s LYS 623 Ca 0.00 -0.88 0.02 0.00 -1.00 0.00 0.00 55.97 54.11 1rjb s LYS 623 Cb 0.00 0.51 0.01 0.00 -2.06 0.00 0.00 37.83 36.29 1rjb s LYS 623 CO 0.00 -0.71 -0.20 0.08 0.10 0.00 0.00 175.35 174.62 1rjb s VAL 624 N -3.40 1.98 0.08 1.79 1.01 -0.89 -1.13 120.40 119.83 1rjb s VAL 624 Ca 0.13 -0.92 0.05 0.00 0.00 0.00 0.00 61.98 61.24 1rjb s VAL 624 Cb -0.04 -1.76 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 1rjb s VAL 624 CO 0.05 0.53 -0.04 -0.04 0.00 0.00 0.00 175.10 175.61 1rjb s MET 625 N 0.98 2.45 0.49 2.72 -1.94 0.16 -0.28 119.30 123.88 1rjb s MET 625 Ca -0.04 -0.85 -0.05 0.00 -1.71 0.00 0.00 55.69 53.04 1rjb s MET 625 Cb -0.15 -2.48 -0.03 0.00 2.01 0.00 0.00 34.83 34.18 1rjb s MET 625 CO -0.05 0.55 0.80 1.21 -0.01 0.00 0.00 175.02 177.51 1rjb s ASN 626 N -2.10 6.21 0.02 3.03 3.84 0.94 0.32 114.94 127.19 1rjb s ASN 626 Ca 0.23 0.91 -0.29 0.00 0.21 0.00 0.00 52.86 53.92 1rjb s ASN 626 Cb -0.11 -2.20 0.10 0.00 -0.55 0.00 0.00 41.25 38.48 1rjb s ASN 626 CO 0.15 -0.62 1.11 0.00 -2.79 0.00 0.00 177.10 174.95 1rjb s ALA 627 N -2.76 -1.96 -0.10 1.71 0.00 -0.95 -0.75 121.76 116.95 1rjb s ALA 627 Ca 0.48 0.66 -0.01 0.00 0.00 0.00 0.00 51.96 53.09 1rjb s ALA 627 Cb -0.10 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.39 1rjb s ALA 627 CO 0.45 -0.94 -0.04 0.99 0.00 0.00 0.00 175.76 176.22 1rjb s THR 628 N -2.81 3.92 -0.14 0.00 2.01 0.54 -0.94 115.64 118.21 1rjb s THR 628 Ca 0.12 -0.38 0.01 0.00 0.31 0.00 0.00 61.69 61.75 1rjb s THR 628 Cb 0.01 -2.64 0.00 0.00 0.01 0.00 0.00 72.50 69.88 1rjb s THR 628 CO -0.02 0.57 -0.18 0.00 -0.69 0.00 0.00 174.62 174.30 1rjb s ALA 629 N -0.51 2.40 -0.40 7.40 0.00 0.18 0.38 121.76 131.21 1rjb s ALA 629 Ca 0.08 -1.04 -0.27 0.00 0.00 0.00 0.00 51.96 50.73 1rjb s ALA 629 Cb -0.12 -1.11 0.02 0.00 0.00 0.00 0.00 23.12 21.91 1rjb s ALA 629 CO 0.02 0.03 0.99 0.71 0.00 0.00 0.00 175.76 177.51 1rjb s TYR 630 N 0.73 3.01 -1.10 0.00 2.02 0.92 -1.57 117.35 121.36 1rjb s TYR 630 Ca -0.08 0.76 0.00 0.00 -0.37 0.00 0.00 57.07 57.38 1rjb s TYR 630 Cb -0.16 -3.86 0.00 0.00 -0.40 0.00 0.00 41.96 37.54 1rjb s TYR 630 CO 0.01 -0.95 0.00 0.41 -1.57 0.00 0.00 175.55 173.45 1rjb n GLY 631 N 4.49 1.05 0.11 0.71 0.00 -0.17 -4.90 105.19 106.48 1rjb n GLY 631 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.53 1rjb n GLY 631 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1rjb h ILE 632 N 0.00 1.54 -4.04 -0.61 2.10 -1.74 -3.45 117.51 111.30 1rjb h ILE 632 Ca -0.22 -2.62 -0.44 0.00 1.08 0.00 0.00 64.86 62.66 1rjb h ILE 632 Cb 0.75 2.42 -0.02 0.00 -1.09 0.00 0.00 36.82 38.88 1rjb h ILE 632 CO 0.31 0.75 0.33 -0.94 -1.08 0.00 0.00 178.15 177.52 1rjb s SER 633 N -6.82 6.93 0.39 2.19 1.04 -1.26 -4.90 113.70 111.26 1rjb s SER 633 Ca -0.01 1.66 0.29 0.00 0.48 0.00 0.00 55.95 58.37 1rjb s SER 633 Cb 0.11 -2.53 0.98 0.00 0.10 0.00 0.00 66.02 64.69 1rjb s SER 633 CO 0.79 -0.36 1.00 0.29 0.98 0.00 0.00 173.24 175.94 1rjb n LYS 634 N -0.64 0.00 -3.80 4.02 5.02 -1.26 -4.36 118.16 117.15 1rjb n LYS 634 Ca 0.07 0.72 -0.21 0.00 -2.02 0.00 0.00 58.31 56.87 1rjb n LYS 634 Cb 0.54 -1.71 -0.03 0.00 -0.02 0.00 0.00 35.03 33.81 1rjb n LYS 634 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 1rjb s THR 635 N -4.05 4.00 0.00 -0.18 -4.23 -1.26 -4.98 115.64 104.94 1rjb s THR 635 Ca -0.03 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.24 1rjb s THR 635 Cb 0.15 -3.35 0.00 0.00 1.34 0.00 0.00 72.50 70.65 1rjb s THR 635 CO 0.51 -0.22 1.37 0.61 -0.54 0.00 0.00 174.62 176.35 1rjb n GLY 636 N -1.41 2.04 3.93 3.99 0.00 -1.26 -4.55 105.19 107.92 1rjb n GLY 636 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1rjb n GLY 636 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjb s VAL 637 N 0.19 3.96 -0.09 1.61 1.01 -1.26 -4.70 120.40 121.12 1rjb s VAL 637 Ca 0.00 -1.16 -0.03 0.00 0.00 0.00 0.00 61.98 60.79 1rjb s VAL 637 Cb 0.00 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1rjb s VAL 637 CO 0.00 -0.18 0.04 -0.94 0.00 0.00 0.00 175.10 174.02 1rjb s SER 638 N -4.08 5.54 0.21 3.32 1.04 -1.26 -0.99 113.70 117.48 1rjb s SER 638 Ca 0.42 0.22 0.01 0.00 0.48 0.00 0.00 55.95 57.08 1rjb s SER 638 Cb -0.08 -1.63 -0.05 0.00 0.10 0.00 0.00 66.02 64.37 1rjb s SER 638 CO 0.29 0.38 0.07 0.27 0.98 0.00 0.00 173.24 175.23 1rjb s ILE 639 N -0.94 0.47 0.18 -1.02 -4.36 -0.61 -4.91 121.20 110.00 1rjb s ILE 639 Ca 0.14 -1.99 -0.25 0.00 -0.26 0.00 0.00 60.65 58.30 1rjb s ILE 639 Cb -0.12 -2.40 -0.08 0.00 1.25 0.00 0.00 42.46 41.12 1rjb s ILE 639 CO 0.03 -0.19 0.78 -1.10 0.24 0.00 0.00 174.94 174.70 1rjb s GLN 640 N -4.02 4.56 0.20 0.37 -1.52 -1.26 0.51 119.66 118.50 1rjb s GLN 640 Ca 0.32 1.16 -0.03 0.00 -1.95 0.00 0.00 55.36 54.86 1rjb s GLN 640 Cb 0.07 -3.23 -0.04 0.00 -0.22 0.00 0.00 33.01 29.60 1rjb s GLN 640 CO 0.09 0.55 0.17 0.14 -0.25 0.00 0.00 175.29 176.00 1rjb s VAL 641 N -1.18 0.01 -0.13 1.09 -7.23 -0.12 -3.87 120.40 108.96 1rjb s VAL 641 Ca 0.37 -1.91 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 1rjb s VAL 641 Cb -0.23 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 1rjb s VAL 641 CO 0.26 -0.04 -0.18 0.00 -0.31 0.00 0.00 175.10 174.84 1rjb s ALA 642 N -4.13 2.42 -0.24 1.32 0.00 -0.16 -2.25 121.76 118.71 1rjb s ALA 642 Ca 0.36 -0.97 -0.02 0.00 0.00 0.00 0.00 51.96 51.33 1rjb s ALA 642 Cb 0.06 -1.07 0.02 0.00 0.00 0.00 0.00 23.12 22.13 1rjb s ALA 642 CO 0.11 0.18 -0.05 0.08 0.00 0.00 0.00 175.76 176.07 1rjb s VAL 643 N 0.49 3.01 0.15 0.00 1.01 0.15 -0.31 120.40 124.91 1rjb s VAL 643 Ca -0.12 -0.90 -0.23 0.00 0.00 0.00 0.00 61.98 60.73 1rjb s VAL 643 Cb -0.16 -2.49 -0.08 0.00 0.00 0.00 0.00 36.38 33.65 1rjb s VAL 643 CO 0.05 0.24 0.72 -0.54 0.00 0.00 0.00 175.10 175.58 1rjb s LYS 644 N 1.37 4.44 0.16 2.72 1.02 0.22 -0.67 119.74 129.00 1rjb s LYS 644 Ca 0.02 1.02 -0.19 0.00 0.02 0.00 0.00 55.97 56.84 1rjb s LYS 644 Cb -0.16 -3.20 0.04 0.00 -0.52 0.00 0.00 37.83 33.99 1rjb s LYS 644 CO -0.04 0.56 0.51 0.00 -0.92 0.00 0.00 175.35 175.46 1rjb s MET 645 N -1.25 1.25 0.34 1.68 0.23 -0.29 -1.85 119.30 119.42 1rjb s MET 645 Ca 0.35 -0.69 0.05 0.00 -1.03 0.00 0.00 55.69 54.38 1rjb s MET 645 Cb -0.21 0.53 -0.01 0.00 -1.53 0.00 0.00 34.83 33.60 1rjb s MET 645 CO 0.24 -0.53 0.49 -0.51 -2.03 0.00 0.00 175.02 172.69 1rjb s LEU 646 N -2.81 3.96 0.51 0.18 1.43 -1.26 -1.16 118.68 119.53 1rjb s LEU 646 Ca 0.04 -0.07 -0.22 0.00 -1.03 0.00 0.00 54.13 52.85 1rjb s LEU 646 Cb -0.00 -2.84 -0.06 0.00 0.03 0.00 0.00 46.19 43.31 1rjb s LEU 646 CO -0.09 -0.43 1.27 1.17 0.23 0.00 0.00 176.35 178.49 1rjb n LYS 647 N -1.69 1.64 -0.72 1.70 3.00 0.63 -4.78 118.16 117.93 1rjb n LYS 647 Ca -0.01 0.60 -0.42 0.00 -0.00 0.00 0.00 58.31 58.47 1rjb n LYS 647 Cb 0.58 -2.44 -0.11 0.00 0.00 0.00 0.00 35.03 33.06 1rjb n LYS 647 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1rjb n GLU 648 N -0.67 0.32 0.00 1.64 1.02 -1.26 -4.98 120.64 116.71 1rjb n GLU 648 Ca 0.10 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 56.00 1rjb n GLU 648 Cb 0.43 -2.70 0.00 0.00 -0.02 0.00 0.00 31.44 29.15 1rjb n GLU 648 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1rjb n ARG 655 N 7.82 0.00 -0.01 3.49 1.74 -1.26 -5.22 116.66 123.22 1rjb n ARG 655 Ca 0.47 0.00 -0.02 0.00 -0.77 0.00 0.00 57.85 57.53 1rjb n ARG 655 Cb 0.42 0.00 0.24 0.00 -1.02 0.00 0.00 32.46 32.10 1rjb n ARG 655 CO 0.00 0.00 0.00 1.49 -1.52 0.00 0.00 177.63 177.60 1rjb h GLU 656 N 0.00 0.56 -0.84 5.56 4.57 -2.01 0.28 114.58 122.70 1rjb h GLU 656 Ca 0.00 -0.16 -0.03 0.00 -1.18 0.00 0.00 59.36 57.99 1rjb h GLU 656 Cb 0.00 -0.06 -0.04 0.00 -0.16 0.00 0.00 28.75 28.49 1rjb h GLU 656 CO 0.00 0.65 0.40 0.00 -1.18 0.00 0.00 179.01 178.88 1rjb h ALA 657 N 1.39 1.08 -0.13 2.92 0.00 -1.99 0.22 119.26 122.75 1rjb h ALA 657 Ca 0.10 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1rjb h ALA 657 Cb 0.47 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1rjb h ALA 657 CO 0.03 0.65 -0.65 1.25 0.00 0.00 0.00 179.25 180.53 1rjb h LEU 658 N 1.20 0.56 -0.91 0.00 5.85 -1.74 -1.88 115.31 118.39 1rjb h LEU 658 Ca 0.29 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1rjb h LEU 658 Cb 0.13 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 1rjb h LEU 658 CO -0.04 1.06 0.26 0.24 -0.34 0.00 0.00 178.44 179.62 1rjb h MET 659 N 0.35 1.06 -0.42 1.25 2.86 -0.27 -0.81 114.93 118.95 1rjb h MET 659 Ca -0.01 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.33 1rjb h MET 659 Cb 1.20 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 1rjb h MET 659 CO 0.12 0.87 -0.17 0.77 1.06 0.00 0.00 176.91 179.56 1rjb h SER 660 N 1.03 0.80 -0.36 1.22 0.02 -0.35 0.84 113.55 116.74 1rjb h SER 660 Ca 0.23 -0.27 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1rjb h SER 660 Cb 0.23 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1rjb h SER 660 CO -0.02 0.97 0.07 -0.08 -1.14 0.00 0.00 176.83 176.63 1rjb h GLU 661 N 0.70 0.58 0.17 3.45 4.81 -1.04 -0.32 114.58 122.93 1rjb h GLU 661 Ca 0.11 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1rjb h GLU 661 Cb 0.68 -0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.95 1rjb h GLU 661 CO 0.05 0.64 -0.31 1.25 -0.73 0.00 0.00 179.01 179.91 1rjb h LEU 662 N 0.43 -0.87 -0.85 1.64 5.85 -0.66 -0.31 115.31 120.54 1rjb h LEU 662 Ca 0.11 0.09 0.08 0.00 0.84 0.00 0.00 57.88 59.01 1rjb h LEU 662 Cb 0.33 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.61 1rjb h LEU 662 CO 0.00 -0.41 0.50 0.11 -0.34 0.00 0.00 178.44 178.31 1rjb h LYS 663 N -0.56 0.84 -0.35 1.25 1.57 -0.75 -0.64 116.57 117.93 1rjb h LYS 663 Ca 0.02 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1rjb h LYS 663 Cb 0.57 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 1rjb h LYS 663 CO -0.15 0.56 0.21 1.98 -0.57 0.00 0.00 179.45 181.47 1rjb h MET 664 N 0.86 0.49 0.00 3.15 4.05 -0.59 -2.68 114.93 120.21 1rjb h MET 664 Ca 0.40 -0.05 -0.07 0.00 -0.28 0.00 0.00 59.70 59.70 1rjb h MET 664 Cb 0.30 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.00 1rjb h MET 664 CO -0.22 0.38 -0.32 0.52 0.23 0.00 0.00 176.91 177.50 1rjb h MET 665 N 0.46 0.00 0.00 0.39 2.86 -0.01 -2.11 114.93 116.52 1rjb h MET 665 Ca 0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.77 1rjb h MET 665 Cb 0.03 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1rjb h MET 665 CO -0.02 0.32 0.00 1.79 1.06 0.00 0.00 176.91 180.06 1rjb h THR 666 N 0.00 0.00 0.00 2.22 1.35 -0.82 -3.03 112.91 112.62 1rjb h THR 666 Ca -0.00 -0.51 0.00 0.00 -0.55 0.00 0.00 66.41 65.35 1rjb h THR 666 Cb 0.70 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 1rjb h THR 666 CO 0.04 0.00 -1.30 0.00 -0.25 0.00 0.00 175.52 174.01 1rjb n GLN 667 N -3.07 0.52 -0.19 4.72 1.13 -0.82 -4.46 117.38 115.21 1rjb n GLN 667 Ca 0.01 -0.01 -0.10 0.00 -1.94 0.00 0.00 57.00 54.96 1rjb n GLN 667 Cb 0.31 -1.67 0.01 0.00 0.11 0.00 0.00 30.24 29.00 1rjb n GLN 667 CO 0.00 0.00 0.00 1.25 -1.44 0.00 0.00 177.06 176.87 1rjb h LEU 668 N 0.00 0.97 0.00 1.08 6.46 -1.34 -3.50 115.31 118.98 1rjb h LEU 668 Ca 0.00 -0.33 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 1rjb h LEU 668 Cb 0.92 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 40.58 1rjb h LEU 668 CO 0.00 1.07 0.00 0.61 -0.62 0.00 0.00 178.44 179.50 1rjb n GLY 669 N -0.33 -0.28 3.95 3.75 0.00 -1.26 -5.01 105.19 106.01 1rjb n GLY 669 Ca 0.01 -1.69 -0.23 0.00 0.00 0.00 0.00 46.02 44.11 1rjb n GLY 669 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rjb s SER 670 N -2.19 6.31 -0.06 1.61 1.04 -1.26 -4.99 113.70 114.16 1rjb s SER 670 Ca 0.00 0.32 -0.19 0.00 0.48 0.00 0.00 55.95 56.56 1rjb s SER 670 Cb 0.00 -1.97 0.04 0.00 0.10 0.00 0.00 66.02 64.19 1rjb s SER 670 CO 0.00 -0.20 0.43 -2.28 0.98 0.00 0.00 173.24 172.17 1rjb s HIS 671 N -2.17 -0.36 0.42 5.02 5.04 -1.26 -5.06 115.29 116.92 1rjb s HIS 671 Ca 0.38 0.67 0.08 0.00 -1.54 0.00 0.00 55.06 54.65 1rjb s HIS 671 Cb -0.09 0.19 0.91 0.00 0.04 0.00 0.00 32.58 33.62 1rjb s HIS 671 CO 0.33 -0.41 2.06 1.49 -2.34 0.00 0.00 174.74 175.87 1rjb h GLU 672 N 3.99 0.45 -0.78 2.88 4.81 -1.99 -2.96 114.58 120.98 1rjb h GLU 672 Ca -0.28 -0.03 -0.26 0.00 -0.13 0.00 0.00 59.36 58.65 1rjb h GLU 672 Cb 1.17 -0.10 -0.16 0.00 0.63 0.00 0.00 28.75 30.29 1rjb h GLU 672 CO 0.36 0.31 0.33 0.09 -0.73 0.00 0.00 179.01 179.37 1rjb n ASN 673 N -4.47 4.70 -4.16 1.04 5.03 -1.26 -4.74 115.26 111.40 1rjb n ASN 673 Ca 0.02 -3.29 -0.21 0.00 0.87 0.00 0.00 54.58 51.98 1rjb n ASN 673 Cb 0.07 -0.76 -0.13 0.00 -1.02 0.00 0.00 39.78 37.94 1rjb n ASN 673 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1rjb s ILE 674 N -3.05 1.18 -0.56 2.41 -1.09 -1.12 -0.58 121.20 118.40 1rjb s ILE 674 Ca 0.56 -1.01 -0.28 0.00 -2.23 0.00 0.00 60.65 57.69 1rjb s ILE 674 Cb 0.45 -1.06 0.03 0.00 -1.58 0.00 0.00 42.46 40.30 1rjb s ILE 674 CO 0.13 0.04 1.17 -0.69 -1.23 0.00 0.00 174.94 174.37 1rjb s VAL 675 N -0.82 4.07 0.28 2.92 1.01 -0.27 -4.73 120.40 122.86 1rjb s VAL 675 Ca 0.02 0.95 -0.21 0.00 0.00 0.00 0.00 61.98 62.75 1rjb s VAL 675 Cb -0.08 -4.70 -0.09 0.00 0.00 0.00 0.00 36.38 31.52 1rjb s VAL 675 CO 0.01 -1.27 0.80 0.20 0.00 0.00 0.00 175.10 174.85 1rjb s ASN 676 N 2.85 7.07 0.34 3.32 0.01 -1.26 -4.87 114.94 122.40 1rjb s ASN 676 Ca 0.43 1.52 -0.27 0.00 -0.71 0.00 0.00 52.86 53.84 1rjb s ASN 676 Cb -0.08 -2.46 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 1rjb s ASN 676 CO 0.27 -0.07 1.10 -0.22 -1.51 0.00 0.00 177.10 176.67 1rjb s LEU 677 N -2.27 4.35 -0.01 0.60 2.96 -1.26 -1.64 118.68 121.40 1rjb s LEU 677 Ca 0.48 2.22 0.01 0.00 -0.22 0.00 0.00 54.13 56.63 1rjb s LEU 677 Cb -0.15 -3.88 -0.02 0.00 0.50 0.00 0.00 46.19 42.64 1rjb s LEU 677 CO 0.20 -0.36 0.01 0.18 -1.32 0.00 0.00 176.35 175.06 1rjb n LEU 678 N 0.57 0.00 0.00 -0.68 4.77 0.20 -4.88 117.00 116.98 1rjb n LEU 678 Ca 0.02 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1rjb n LEU 678 Cb 0.47 0.03 0.01 0.00 -2.33 0.00 0.00 43.42 41.59 1rjb n LEU 678 CO 0.51 0.03 0.94 0.61 -1.33 0.00 0.00 177.39 178.14 1rjb n GLY 679 N 2.85 0.15 3.40 -0.72 0.00 -1.02 -5.02 105.19 104.82 1rjb n GLY 679 Ca -0.02 -0.97 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 1rjb n GLY 679 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjb s ALA 680 N -1.78 -1.35 -0.22 4.61 0.00 -0.54 -0.37 121.76 122.11 1rjb s ALA 680 Ca 0.26 0.58 0.01 0.00 0.00 0.00 0.00 51.96 52.80 1rjb s ALA 680 Cb -0.00 0.43 0.05 0.00 0.00 0.00 0.00 23.12 23.61 1rjb s ALA 680 CO -0.02 -0.53 -0.08 0.00 0.00 0.00 0.00 175.76 175.13 1rjb n THR 682 N 4.68 0.05 -0.08 0.00 -2.24 -1.26 -0.93 114.28 114.49 1rjb n THR 682 Ca -0.13 -0.16 -0.14 0.00 -2.27 0.00 0.00 64.05 61.34 1rjb n THR 682 Cb 0.45 1.57 -0.06 0.00 -2.10 0.00 0.00 70.33 70.19 1rjb n THR 682 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1rjb n LEU 683 N -0.02 1.99 -1.43 3.22 4.77 -1.26 -4.76 117.00 119.51 1rjb n LEU 683 Ca 0.00 0.07 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 1rjb n LEU 683 Cb 0.22 -0.50 0.25 0.00 -2.33 0.00 0.00 43.42 41.07 1rjb n LEU 683 CO 0.00 0.53 0.85 -1.54 -1.33 0.00 0.00 177.39 175.90 1rjb n SER 684 N -3.36 3.82 0.00 -1.43 3.41 -1.26 -5.03 113.62 109.77 1rjb n SER 684 Ca -0.29 -3.34 0.00 0.00 -0.26 0.00 0.00 58.87 54.98 1rjb n SER 684 Cb 0.75 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1rjb n SER 684 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1rjb n GLY 685 N -0.60 -1.35 3.61 5.00 0.00 -1.26 -5.14 105.19 105.44 1rjb n GLY 685 Ca 0.34 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1rjb n GLY 685 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1rjb n PRO 686 N -0.06 0.58 -2.26 1.61 -0.04 -1.26 -4.73 135.00 128.84 1rjb n PRO 686 Ca 0.00 0.25 -0.42 0.00 -0.04 0.00 0.00 63.50 63.29 1rjb n PRO 686 Cb 0.00 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.24 1rjb n PRO 686 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1rjb s ILE 687 N -1.75 3.71 -0.07 0.52 1.01 -1.26 -4.66 121.20 118.69 1rjb s ILE 687 Ca 0.74 1.16 0.03 0.00 0.00 0.00 0.00 60.65 62.57 1rjb s ILE 687 Cb -0.36 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1rjb s ILE 687 CO 0.50 0.03 -0.16 -0.31 0.00 0.00 0.00 174.94 175.00 1rjb s TYR 688 N 1.86 1.83 -0.19 3.97 2.02 -0.11 -4.43 117.35 122.29 1rjb s TYR 688 Ca 0.63 -0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 56.57 1rjb s TYR 688 Cb -0.32 -1.28 -0.03 0.00 -0.40 0.00 0.00 41.96 39.93 1rjb s TYR 688 CO 0.27 -0.31 0.02 -0.51 -1.57 0.00 0.00 175.55 173.45 1rjb s LEU 689 N 0.52 3.44 -0.27 -1.29 1.43 -0.77 -1.47 118.68 120.26 1rjb s LEU 689 Ca -0.15 -0.11 -0.09 0.00 -1.03 0.00 0.00 54.13 52.75 1rjb s LEU 689 Cb -0.16 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1rjb s LEU 689 CO 0.05 0.10 0.14 -0.63 0.23 0.00 0.00 176.35 176.25 1rjb s ILE 690 N 0.78 4.82 0.38 -0.59 1.01 0.50 -0.61 121.20 127.49 1rjb s ILE 690 Ca 0.01 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.69 1rjb s ILE 690 Cb -0.14 -3.31 -0.06 0.00 0.01 0.00 0.00 42.46 38.96 1rjb s ILE 690 CO 0.02 0.25 0.03 -0.36 0.00 0.00 0.00 174.94 174.89 1rjb s PHE 691 N 1.68 2.53 0.55 3.97 0.40 0.58 0.63 117.98 128.32 1rjb s PHE 691 Ca 0.06 -0.55 -0.22 0.00 -0.60 0.00 0.00 56.93 55.63 1rjb s PHE 691 Cb -0.16 -1.66 -0.05 0.00 0.51 0.00 0.00 43.02 41.66 1rjb s PHE 691 CO 0.07 0.42 1.36 0.39 0.70 0.00 0.00 175.22 178.17 1rjb n GLU 692 N -1.00 1.67 -3.81 0.44 1.02 -0.65 -0.99 120.64 117.31 1rjb n GLU 692 Ca -0.04 0.62 -0.37 0.00 -0.02 0.00 0.00 57.16 57.35 1rjb n GLU 692 Cb 0.64 -2.58 -0.06 0.00 -0.02 0.00 0.00 31.44 29.42 1rjb n GLU 692 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 1rjb s TYR 693 N -1.29 3.62 -0.33 -0.32 5.04 -1.25 -4.14 117.35 118.68 1rjb s TYR 693 Ca 0.72 0.60 0.03 0.00 -2.44 0.00 0.00 57.07 55.98 1rjb s TYR 693 Cb -0.41 -1.99 0.09 0.00 0.35 0.00 0.00 41.96 39.99 1rjb s TYR 693 CO 0.49 0.71 0.03 0.00 -1.34 0.00 0.00 175.55 175.44 1rjb n TYR 696 N -4.43 2.13 -4.94 0.00 4.01 -0.82 -5.06 117.16 108.06 1rjb n TYR 696 Ca 0.14 -1.00 0.00 0.00 -0.16 0.00 0.00 57.90 56.88 1rjb n TYR 696 Cb 0.63 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 39.05 1rjb n TYR 696 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rjb n GLY 697 N 0.03 -0.71 3.77 2.72 0.00 -1.18 -4.66 105.19 105.15 1rjb n GLY 697 Ca 0.34 -0.99 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1rjb n GLY 697 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1rjb s ASP 698 N -4.00 6.59 0.54 1.61 -4.77 -1.26 -1.39 116.67 113.99 1rjb s ASP 698 Ca 0.00 2.49 0.25 0.00 -3.30 0.00 0.00 52.55 51.99 1rjb s ASP 698 Cb 0.00 -2.63 1.42 0.00 -1.09 0.00 0.00 42.92 40.62 1rjb s ASP 698 CO 0.00 -0.64 2.01 0.25 0.70 0.00 0.00 175.17 177.49 1rjb h LEU 699 N 2.92 0.00 0.11 2.11 5.85 0.17 -1.96 115.31 124.50 1rjb h LEU 699 Ca -0.49 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.23 1rjb h LEU 699 Cb 1.23 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.26 1rjb h LEU 699 CO 0.64 0.00 -0.05 0.25 -0.34 0.00 0.00 178.44 178.93 1rjb h LEU 700 N 0.00 -0.12 -1.25 2.25 5.85 -1.78 -1.13 115.31 119.12 1rjb h LEU 700 Ca 0.22 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.63 1rjb h LEU 700 Cb 0.92 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 1rjb h LEU 700 CO -0.00 0.19 -0.03 0.78 -0.34 0.00 0.00 178.44 179.04 1rjb h ASN 701 N -0.45 0.44 -0.24 1.25 2.35 -1.84 -1.41 115.58 115.68 1rjb h ASN 701 Ca -0.01 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1rjb h ASN 701 Cb 0.37 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1rjb h ASN 701 CO 0.02 0.54 0.12 0.22 -1.65 0.00 0.00 177.43 176.68 1rjb h TYR 702 N 0.45 0.34 -0.17 1.19 3.20 -1.24 0.15 116.97 120.89 1rjb h TYR 702 Ca 0.10 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 1rjb h TYR 702 Cb 0.35 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1rjb h TYR 702 CO 0.01 0.33 0.08 -0.07 -1.64 0.00 0.00 178.16 176.87 1rjb h LEU 703 N 0.26 0.23 -0.92 2.82 3.38 -0.94 -2.82 115.31 117.32 1rjb h LEU 703 Ca 0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1rjb h LEU 703 Cb 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 1rjb h LEU 703 CO -0.01 0.30 0.21 0.03 0.09 0.00 0.00 178.44 179.07 1rjb h ARG 704 N 0.14 1.00 0.00 1.13 3.08 -1.04 -1.43 114.38 117.26 1rjb h ARG 704 Ca 0.06 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.91 1rjb h ARG 704 Cb 0.14 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1rjb h ARG 704 CO -0.01 0.85 0.00 -1.13 -1.07 0.00 0.00 179.97 178.62 1rjb n SER 705 N -4.27 0.28 -0.60 7.04 3.41 0.49 -2.53 113.62 117.45 1rjb n SER 705 Ca 0.05 0.59 0.07 0.00 -0.26 0.00 0.00 58.87 59.33 1rjb n SER 705 Cb 0.21 -0.64 0.19 0.00 -0.26 0.00 0.00 64.21 63.70 1rjb n SER 705 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1rjb n LYS 706 N -1.84 2.63 0.10 4.33 5.02 -0.54 -4.65 118.16 123.21 1rjb n LYS 706 Ca 0.02 -2.48 0.03 0.00 -2.02 0.00 0.00 58.31 53.86 1rjb n LYS 706 Cb 0.13 -1.56 0.41 0.00 -0.02 0.00 0.00 35.03 33.98 1rjb n LYS 706 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rjb h ARG 707 N 1.36 0.28 -0.37 1.97 3.08 -1.42 -1.71 114.38 117.57 1rjb h ARG 707 Ca 0.00 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.00 1rjb h ARG 707 Cb 1.10 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.11 1rjb h ARG 707 CO 0.11 0.36 0.00 -1.91 -1.07 0.00 0.00 179.97 177.45 1rjb n GLU 708 N -4.33 2.07 -2.66 0.04 2.13 -1.26 -4.28 120.64 112.36 1rjb n GLU 708 Ca -0.00 -1.65 -0.09 0.00 0.66 0.00 0.00 57.16 56.08 1rjb n GLU 708 Cb 0.22 -1.41 0.03 0.00 0.27 0.00 0.00 31.44 30.55 1rjb n GLU 708 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1rjb n LYS 709 N 0.84 1.49 -3.80 5.31 4.76 -0.65 -5.16 118.16 120.95 1rjb n LYS 709 Ca 0.17 -3.42 -0.36 0.00 -2.87 0.00 0.00 58.31 51.83 1rjb n LYS 709 Cb 0.42 -1.41 -0.12 0.00 -1.84 0.00 0.00 35.03 32.08 1rjb n LYS 709 CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 1rjb s PHE 710 N -3.28 3.48 0.00 2.13 5.36 -1.20 -4.87 117.98 119.60 1rjb s PHE 710 Ca 0.29 -2.18 0.00 0.00 -0.96 0.00 0.00 56.93 54.09 1rjb s PHE 710 Cb 0.43 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 40.23 1rjb s PHE 710 CO 0.01 -0.91 0.00 -0.11 -1.46 0.00 0.00 175.22 172.75 1rjb n LEU 783 N 4.63 0.00 -4.70 6.12 7.94 -1.26 -5.13 117.00 124.60 1rjb n LEU 783 Ca -0.06 0.51 -0.29 0.00 -1.11 0.00 0.00 56.01 55.06 1rjb n LEU 783 Cb 0.42 -1.25 -0.09 0.00 0.53 0.00 0.00 43.42 43.03 1rjb n LEU 783 CO 0.32 0.00 -0.24 0.42 -1.11 0.00 0.00 177.39 176.77 1rjb s THR 784 N -1.48 1.72 0.27 1.96 -4.23 -1.26 -5.02 115.64 107.60 1rjb s THR 784 Ca 0.00 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 1rjb s THR 784 Cb 0.00 -2.65 0.10 0.00 1.34 0.00 0.00 72.50 71.29 1rjb s THR 784 CO 0.00 0.00 1.76 0.15 -0.54 0.00 0.00 174.62 175.99 1rjb h PHE 785 N 1.52 0.71 -0.80 3.99 3.57 -1.99 -2.05 116.94 121.90 1rjb h PHE 785 Ca -0.43 -0.11 -0.04 0.00 3.53 0.00 0.00 57.97 60.91 1rjb h PHE 785 Cb 1.27 -0.19 -0.04 0.00 2.79 0.00 0.00 35.95 39.79 1rjb h PHE 785 CO 1.02 0.73 0.33 0.93 -2.23 0.00 0.00 178.31 179.08 1rjb h GLU 786 N 0.61 1.19 -0.61 1.11 3.07 -1.99 -1.04 114.58 116.91 1rjb h GLU 786 Ca 0.11 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.75 1rjb h GLU 786 Cb 0.52 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.20 1rjb h GLU 786 CO 0.03 0.95 0.36 -0.44 -1.40 0.00 0.00 179.01 178.51 1rjb h ASP 787 N 1.16 0.75 -0.10 1.42 3.45 -1.80 -0.76 116.42 120.54 1rjb h ASP 787 Ca 0.27 -0.08 0.03 0.00 0.43 0.00 0.00 57.03 57.68 1rjb h ASP 787 Cb 0.20 -0.19 -0.03 0.00 -0.56 0.00 0.00 39.33 38.75 1rjb h ASP 787 CO -0.02 0.61 -0.08 -0.07 -1.57 0.00 0.00 179.24 178.11 1rjb h LEU 788 N 0.83 -0.24 -1.15 1.55 4.07 -0.71 0.89 115.31 120.54 1rjb h LEU 788 Ca 0.22 0.05 0.02 0.00 0.08 0.00 0.00 57.88 58.25 1rjb h LEU 788 Cb 0.01 0.13 -0.05 0.00 1.08 0.00 0.00 40.66 41.83 1rjb h LEU 788 CO -0.04 -0.11 0.58 0.25 -1.08 0.00 0.00 178.44 178.04 1rjb h LEU 789 N -0.09 0.98 -0.59 1.67 7.12 -1.02 -1.73 115.31 121.65 1rjb h LEU 789 Ca 0.07 -0.02 -0.10 0.00 0.13 0.00 0.00 57.88 57.96 1rjb h LEU 789 Cb 0.18 -0.24 -0.02 0.00 -0.53 0.00 0.00 40.66 40.05 1rjb h LEU 789 CO -0.15 0.70 -0.01 0.00 -0.13 0.00 0.00 178.44 178.84 1rjb h PHE 791 N 0.95 0.55 -0.37 0.00 0.05 -0.34 -0.70 116.94 117.07 1rjb h PHE 791 Ca 0.17 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.96 1rjb h PHE 791 Cb 0.57 -0.18 -0.02 0.00 2.00 0.00 0.00 35.95 38.33 1rjb h PHE 791 CO 0.04 0.40 0.24 0.00 -0.18 0.00 0.00 178.31 178.81 1rjb h ALA 792 N 1.10 0.47 -0.48 2.45 0.00 -1.01 -1.17 119.26 120.63 1rjb h ALA 792 Ca 0.15 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1rjb h ALA 792 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1rjb h ALA 792 CO -0.03 -0.08 0.21 -0.92 0.00 0.00 0.00 179.25 178.43 1rjb h TYR 793 N 0.49 0.72 -0.85 0.00 3.20 -0.86 -2.21 116.97 117.46 1rjb h TYR 793 Ca 0.14 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.93 1rjb h TYR 793 Cb -0.05 -0.22 -0.04 0.00 1.54 0.00 0.00 36.73 37.96 1rjb h TYR 793 CO -0.05 0.59 0.40 1.96 -1.64 0.00 0.00 178.16 179.42 1rjb h GLN 794 N 0.63 1.23 -0.37 1.82 4.20 -0.74 -1.30 115.11 120.60 1rjb h GLN 794 Ca 0.16 -0.19 -0.12 0.00 0.06 0.00 0.00 58.65 58.57 1rjb h GLN 794 Cb 0.17 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1rjb h GLN 794 CO -0.02 0.95 -0.26 0.28 -0.67 0.00 0.00 178.83 179.12 1rjb h VAL 795 N 1.22 1.27 -0.79 -0.54 2.07 -1.09 -0.29 116.25 118.10 1rjb h VAL 795 Ca 0.29 -1.38 -0.04 0.00 0.82 0.00 0.00 66.70 66.39 1rjb h VAL 795 Cb 0.13 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 1rjb h VAL 795 CO -0.04 0.46 0.32 0.00 0.02 0.00 0.00 177.57 178.33 1rjb h ALA 796 N 1.06 1.03 -0.39 1.67 0.00 -1.02 -0.19 119.26 121.42 1rjb h ALA 796 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 1rjb h ALA 796 Cb 0.77 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1rjb h ALA 796 CO 0.06 0.64 0.07 -0.22 0.00 0.00 0.00 179.25 179.80 1rjb h LYS 797 N 1.14 0.64 -0.74 0.00 1.63 -0.91 0.73 116.57 119.07 1rjb h LYS 797 Ca 0.26 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.89 1rjb h LYS 797 Cb 0.20 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 31.72 1rjb h LYS 797 CO -0.02 0.69 0.46 0.78 -3.45 0.00 0.00 179.45 177.90 1rjb h GLY 798 N 0.49 1.07 1.99 5.01 0.00 -0.66 -1.15 103.07 109.82 1rjb h GLY 798 Ca 0.12 -0.44 -0.09 0.00 0.00 0.00 0.00 47.33 46.92 1rjb h GLY 798 CO 0.01 0.42 -0.41 -0.33 0.00 0.00 0.00 176.54 176.23 1rjb h MET 799 N 1.01 0.01 -0.60 4.80 2.86 -0.74 -1.40 114.93 120.87 1rjb h MET 799 Ca 0.27 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.81 1rjb h MET 799 Cb -0.05 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1rjb h MET 799 CO -0.05 0.42 0.01 1.49 1.06 0.00 0.00 176.91 179.84 1rjb h GLU 800 N 0.01 1.06 -0.22 1.72 4.81 -0.22 0.31 114.58 122.05 1rjb h GLU 800 Ca -0.00 -0.33 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1rjb h GLU 800 Cb 0.73 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.00 1rjb h GLU 800 CO 0.05 1.04 0.11 0.35 -0.73 0.00 0.00 179.01 179.83 1rjb h PHE 801 N 0.96 0.32 -0.80 0.92 3.04 -0.64 -1.42 116.94 119.32 1rjb h PHE 801 Ca 0.17 -0.02 0.01 0.00 3.98 0.00 0.00 57.97 62.12 1rjb h PHE 801 Cb 0.55 -0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.92 1rjb h PHE 801 CO 0.04 0.32 0.53 -0.07 -2.02 0.00 0.00 178.31 177.10 1rjb h LEU 802 N 0.23 0.91 -0.69 0.59 3.38 -0.95 -0.50 115.31 118.27 1rjb h LEU 802 Ca 0.08 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rjb h LEU 802 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 1rjb h LEU 802 CO -0.01 0.66 0.45 -0.08 0.09 0.00 0.00 178.44 179.55 1rjb h GLU 803 N 1.07 0.91 -0.87 1.13 4.81 -0.71 -0.36 114.58 120.57 1rjb h GLU 803 Ca 0.29 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.45 1rjb h GLU 803 Cb -0.12 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.02 1rjb h GLU 803 CO -0.07 0.61 0.46 0.35 -0.73 0.00 0.00 179.01 179.63 1rjb h PHE 804 N 0.94 1.20 -0.15 0.92 3.57 -0.56 -1.85 116.94 121.00 1rjb h PHE 804 Ca 0.25 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.72 1rjb h PHE 804 Cb -0.10 -0.38 0.00 0.00 2.79 0.00 0.00 35.95 38.26 1rjb h PHE 804 CO -0.02 0.83 0.00 1.63 -2.23 0.00 0.00 178.31 178.52 1rjb n LYS 805 N -4.33 1.64 -3.69 1.11 4.76 -0.26 -4.91 118.16 112.48 1rjb n LYS 805 Ca 0.09 -0.67 -0.25 0.00 -2.87 0.00 0.00 58.31 54.61 1rjb n LYS 805 Cb 0.11 -1.40 0.06 0.00 -1.84 0.00 0.00 35.03 31.96 1rjb n LYS 805 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1rjb n SER 806 N 0.07 -4.68 -4.48 4.39 2.88 -0.69 -4.90 113.62 106.20 1rjb n SER 806 Ca 0.06 -0.66 -0.24 0.00 -1.33 0.00 0.00 58.87 56.70 1rjb n SER 806 Cb 0.30 -4.55 -0.10 0.00 -0.75 0.00 0.00 64.21 59.11 1rjb n SER 806 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1rjb s VAL 808 N -2.50 0.83 -0.22 0.00 -7.23 0.70 -4.18 120.40 107.80 1rjb s VAL 808 Ca 0.30 -1.84 -0.02 0.00 -1.81 0.00 0.00 61.98 58.61 1rjb s VAL 808 Cb -0.05 -1.58 0.01 0.00 0.56 0.00 0.00 36.38 35.33 1rjb s VAL 808 CO 0.15 -0.75 -0.09 -2.28 -0.31 0.00 0.00 175.10 171.82 1rjb s HIS 809 N -3.17 2.97 -2.23 2.82 2.46 -1.26 -1.08 115.29 115.79 1rjb s HIS 809 Ca 0.10 -1.40 0.27 0.00 0.47 0.00 0.00 55.06 54.50 1rjb s HIS 809 Cb 0.02 -2.04 1.29 0.00 -0.13 0.00 0.00 32.58 31.72 1rjb s HIS 809 CO -0.02 -0.70 1.86 0.54 -2.47 0.00 0.00 174.74 173.95 1rjb n ARG 810 N 4.69 1.37 -2.69 2.88 1.74 0.08 -3.98 116.66 120.75 1rjb n ARG 810 Ca -0.18 -0.54 -0.09 0.00 -0.77 0.00 0.00 57.85 56.27 1rjb n ARG 810 Cb 0.49 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.53 1rjb n ARG 810 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1rjb n ASP 811 N -0.32 0.58 -4.68 0.55 4.64 -1.26 -4.94 116.55 111.11 1rjb n ASP 811 Ca 0.19 -2.68 -0.42 0.00 -1.38 0.00 0.00 54.79 50.50 1rjb n ASP 811 Cb 0.23 -0.14 -0.03 0.00 -1.04 0.00 0.00 41.12 40.15 1rjb n ASP 811 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1rjb s LEU 812 N -3.10 4.28 -0.01 -2.67 2.96 -1.26 -4.78 118.68 114.11 1rjb s LEU 812 Ca 0.26 1.94 -0.30 0.00 -0.22 0.00 0.00 54.13 55.82 1rjb s LEU 812 Cb 0.44 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.68 1rjb s LEU 812 CO 0.00 -0.68 1.01 0.00 -1.32 0.00 0.00 176.35 175.36 1rjb s ALA 813 N 2.56 -1.88 0.57 5.97 0.00 -1.26 -4.80 121.76 122.91 1rjb s ALA 813 Ca 0.60 0.93 0.25 0.00 0.00 0.00 0.00 51.96 53.74 1rjb s ALA 813 Cb -0.27 0.34 1.61 0.00 0.00 0.00 0.00 23.12 24.80 1rjb s ALA 813 CO 0.23 -0.77 2.18 0.00 0.00 0.00 0.00 175.76 177.40 1rjb h ALA 814 N 2.00 1.77 0.00 0.00 0.00 -1.93 0.14 119.26 121.24 1rjb h ALA 814 Ca -0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1rjb h ALA 814 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1rjb h ALA 814 CO 0.28 -0.09 0.00 0.07 0.00 0.00 0.00 179.25 179.51 1rjb h ARG 815 N 0.00 0.00 -0.47 0.00 0.11 -1.94 -2.83 114.38 109.25 1rjb h ARG 815 Ca 0.03 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.96 1rjb h ARG 815 Cb 0.15 0.00 -0.09 0.00 1.11 0.00 0.00 29.97 31.14 1rjb h ARG 815 CO -0.00 0.00 0.09 0.09 0.10 0.00 0.00 179.97 180.25 1rjb n ASN 816 N -2.55 3.69 -4.10 0.08 5.03 0.03 -4.78 115.26 112.67 1rjb n ASN 816 Ca 0.02 -3.35 -0.29 0.00 0.87 0.00 0.00 54.58 51.83 1rjb n ASN 816 Cb 0.27 -0.65 -0.17 0.00 -1.02 0.00 0.00 39.78 38.21 1rjb n ASN 816 CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 1rjb s VAL 817 N -3.04 1.59 0.11 2.41 1.01 -1.08 -1.36 120.40 120.04 1rjb s VAL 817 Ca 0.47 -0.73 0.06 0.00 0.00 0.00 0.00 61.98 61.79 1rjb s VAL 817 Cb 0.40 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.32 1rjb s VAL 817 CO 0.07 0.46 -0.04 -0.76 0.00 0.00 0.00 175.10 174.83 1rjb s LEU 818 N 0.66 3.28 -0.14 3.92 1.43 0.67 0.58 118.68 129.08 1rjb s LEU 818 Ca -0.13 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.63 1rjb s LEU 818 Cb -0.16 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1rjb s LEU 818 CO 0.04 0.16 -0.03 -0.69 0.23 0.00 0.00 176.35 176.05 1rjb s VAL 819 N -1.37 3.98 0.17 -1.59 1.01 -0.49 -0.22 120.40 121.90 1rjb s VAL 819 Ca 0.25 -0.34 0.00 0.00 0.00 0.00 0.00 61.98 61.89 1rjb s VAL 819 Cb -0.11 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.54 1rjb s VAL 819 CO 0.17 0.52 0.00 0.35 0.00 0.00 0.00 175.10 176.13 1rjb n THR 820 N 3.23 0.00 -0.13 3.92 -2.24 0.61 -1.94 114.28 117.73 1rjb n THR 820 Ca -0.18 -0.81 -0.03 0.00 -2.27 0.00 0.00 64.05 60.76 1rjb n THR 820 Cb 0.53 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.89 1rjb n THR 820 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1rjb n HIS 821 N -0.43 -0.14 -0.96 4.78 8.25 -1.26 -2.68 115.22 122.79 1rjb n HIS 821 Ca -0.07 0.39 -0.16 0.00 -0.26 0.00 0.00 57.72 57.61 1rjb n HIS 821 Cb 0.22 -0.45 0.01 0.00 1.12 0.00 0.00 29.99 30.88 1rjb n HIS 821 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rjb n GLY 822 N -1.08 3.93 2.32 -1.41 0.00 -1.26 -4.67 105.19 103.02 1rjb n GLY 822 Ca 0.01 -1.12 -0.12 0.00 0.00 0.00 0.00 46.02 44.78 1rjb n GLY 822 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rjb n LYS 823 N 0.66 -0.90 -3.29 1.61 3.00 -1.09 -4.98 118.16 113.16 1rjb n LYS 823 Ca 0.31 0.84 -0.38 0.00 -0.00 0.00 0.00 58.31 59.07 1rjb n LYS 823 Cb 0.58 -4.91 -0.06 0.00 0.00 0.00 0.00 35.03 30.64 1rjb n LYS 823 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1rjb s VAL 824 N -2.51 5.03 0.14 3.15 1.01 -1.21 -4.84 120.40 121.17 1rjb s VAL 824 Ca 0.00 1.08 0.08 0.00 0.00 0.00 0.00 61.98 63.14 1rjb s VAL 824 Cb 0.00 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 1rjb s VAL 824 CO 0.00 0.41 -0.12 0.68 0.00 0.00 0.00 175.10 176.07 1rjb s VAL 825 N -0.00 3.16 -0.03 2.92 -7.23 -1.26 -0.28 120.40 117.67 1rjb s VAL 825 Ca 0.28 -1.49 0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1rjb s VAL 825 Cb -0.17 -2.51 0.02 0.00 0.56 0.00 0.00 36.38 34.28 1rjb s VAL 825 CO 0.14 0.02 -0.04 -0.54 -0.31 0.00 0.00 175.10 174.37 1rjb s LYS 826 N -2.45 0.69 0.25 4.82 1.02 0.69 -4.43 119.74 120.33 1rjb s LYS 826 Ca 0.22 -0.10 -0.30 0.00 0.02 0.00 0.00 55.97 55.81 1rjb s LYS 826 Cb -0.10 -0.71 -0.09 0.00 -0.52 0.00 0.00 37.83 36.41 1rjb s LYS 826 CO 0.13 -0.04 0.97 0.42 -0.92 0.00 0.00 175.35 175.91 1rjb s ILE 827 N 0.69 3.97 0.00 2.17 1.01 0.26 -0.24 121.20 129.06 1rjb s ILE 827 Ca -0.09 1.98 -0.00 0.00 0.00 0.00 0.00 60.65 62.54 1rjb s ILE 827 Cb -0.12 -4.26 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1rjb s ILE 827 CO -0.00 0.47 0.01 0.00 0.00 0.00 0.00 174.94 175.42 1rjb s ASP 829 N -1.03 3.99 -0.24 0.00 2.15 -1.26 -4.70 116.67 115.59 1rjb s ASP 829 Ca 0.00 -1.37 0.14 0.00 0.43 0.00 0.00 52.55 51.75 1rjb s ASP 829 Cb -0.00 -1.20 0.70 0.00 -0.30 0.00 0.00 42.92 42.13 1rjb s ASP 829 CO 0.00 -0.28 1.64 0.33 -0.17 0.00 0.00 175.17 176.70 1rjb n PHE 830 N 4.64 1.74 -0.23 -5.34 7.35 -1.26 -4.62 117.46 119.74 1rjb n PHE 830 Ca -0.08 -0.90 0.12 0.00 -0.76 0.00 0.00 57.45 55.82 1rjb n PHE 830 Cb 0.43 -0.48 0.40 0.00 0.35 0.00 0.00 39.48 40.18 1rjb n PHE 830 CO 0.00 0.00 0.00 0.78 -0.76 0.00 0.00 176.76 176.78 1rjb h GLY 831 N 2.91 1.06 2.00 7.13 0.00 -1.93 -0.73 103.07 113.51 1rjb h GLY 831 Ca 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1rjb h GLY 831 CO 0.45 0.10 -0.14 -2.00 0.00 0.00 0.00 176.54 174.95 1rjb h LEU 832 N 0.64 0.00 -2.23 3.11 5.85 -1.95 -2.46 115.31 118.28 1rjb h LEU 832 Ca 0.41 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.11 1rjb h LEU 832 Cb 0.69 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1rjb h LEU 832 CO -0.17 0.14 0.03 0.00 -0.34 0.00 0.00 178.44 178.10 1rjb n ALA 833 N -2.34 3.21 -3.35 1.25 0.00 -0.28 -3.39 120.51 115.60 1rjb n ALA 833 Ca -0.02 -0.90 -0.15 0.00 0.00 0.00 0.00 53.44 52.37 1rjb n ALA 833 Cb 0.24 -1.07 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 1rjb n ALA 833 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1rjb s ARG 834 N -1.76 0.80 -0.59 0.00 1.70 -0.93 -2.50 118.95 115.68 1rjb s ARG 834 Ca 0.25 0.03 -0.24 0.00 -0.47 0.00 0.00 55.73 55.30 1rjb s ARG 834 Cb 0.19 0.37 0.05 0.00 -0.57 0.00 0.00 34.95 34.99 1rjb s ARG 834 CO 0.07 -0.23 0.95 0.34 -1.08 0.00 0.00 175.30 175.35 1rjb s ASP 835 N -1.17 6.27 0.48 -2.89 -1.08 -1.03 -4.27 116.67 112.98 1rjb s ASP 835 Ca -0.12 -0.58 0.14 0.00 -0.52 0.00 0.00 52.55 51.47 1rjb s ASP 835 Cb -0.03 -2.43 1.13 0.00 -1.46 0.00 0.00 42.92 40.13 1rjb s ASP 835 CO 0.06 -1.30 2.09 0.16 0.52 0.00 0.00 175.17 176.70 1rjb h ILE 836 N 6.00 1.00 -0.45 4.11 -0.00 -1.92 -1.71 117.51 124.54 1rjb h ILE 836 Ca -0.27 -0.07 -0.04 0.00 -0.00 0.00 0.00 64.86 64.48 1rjb h ILE 836 Cb 1.07 0.78 -0.02 0.00 -0.00 0.00 0.00 36.82 38.65 1rjb h ILE 836 CO 1.12 0.04 0.13 -0.03 -0.00 0.00 0.00 178.15 179.40 1rjb h MET 837 N 0.21 0.66 -0.23 0.16 4.05 -1.95 -1.31 114.93 116.51 1rjb h MET 837 Ca 0.09 -0.11 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1rjb h MET 837 Cb 0.11 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 30.80 1rjb h MET 837 CO -0.02 0.59 0.00 -1.13 0.23 0.00 0.00 176.91 176.58 1rjb n SER 838 N -4.32 1.64 -4.19 1.39 3.41 -0.66 -4.73 113.62 106.16 1rjb n SER 838 Ca 0.03 -1.81 -0.36 0.00 -0.26 0.00 0.00 58.87 56.47 1rjb n SER 838 Cb 0.19 -0.15 -0.13 0.00 -0.26 0.00 0.00 64.21 63.86 1rjb n SER 838 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rjb s ASP 839 N -1.34 5.11 0.00 4.04 3.68 -0.50 -4.97 116.67 122.70 1rjb s ASP 839 Ca 0.28 -1.43 0.13 0.00 2.13 0.00 0.00 52.55 53.66 1rjb s ASP 839 Cb 0.15 -1.79 0.77 0.00 -1.45 0.00 0.00 42.92 40.61 1rjb s ASP 839 CO 0.22 -0.35 1.22 -1.54 0.13 0.00 0.00 175.17 174.84 1rjb n SER 840 N 4.67 0.00 -0.01 -0.34 3.41 -1.26 -2.36 113.62 117.73 1rjb n SER 840 Ca -0.10 -0.37 0.14 0.00 -0.26 0.00 0.00 58.87 58.28 1rjb n SER 840 Cb 0.43 -0.03 0.59 0.00 -0.26 0.00 0.00 64.21 64.94 1rjb n SER 840 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1rjb n ASN 841 N -1.03 0.11 -4.40 4.04 3.02 -1.26 -4.65 115.26 111.09 1rjb n ASN 841 Ca 0.10 0.21 -0.35 0.00 -0.03 0.00 0.00 54.58 54.51 1rjb n ASN 841 Cb 0.05 -0.33 -0.13 0.00 -0.61 0.00 0.00 39.78 38.76 1rjb n ASN 841 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1rjb s TYR 842 N -2.89 2.99 -0.16 3.10 2.02 -0.99 -3.84 117.35 117.57 1rjb s TYR 842 Ca 0.17 -0.63 -0.13 0.00 -0.37 0.00 0.00 57.07 56.11 1rjb s TYR 842 Cb 0.19 -2.07 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1rjb s TYR 842 CO 0.54 -0.33 0.27 0.08 -1.57 0.00 0.00 175.55 174.53 1rjb s VAL 843 N 1.08 5.32 0.10 0.71 1.01 0.11 -4.77 120.40 123.96 1rjb s VAL 843 Ca 0.02 0.50 -0.31 0.00 0.00 0.00 0.00 61.98 62.19 1rjb s VAL 843 Cb -0.15 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1rjb s VAL 843 CO 0.01 0.40 1.24 -0.69 0.00 0.00 0.00 175.10 176.06 1rjb s VAL 844 N 0.41 3.76 -0.35 2.92 1.01 -1.26 -1.31 120.40 125.56 1rjb s VAL 844 Ca 0.15 1.30 0.03 0.00 0.00 0.00 0.00 61.98 63.47 1rjb s VAL 844 Cb -0.13 -3.84 0.16 0.00 0.00 0.00 0.00 36.38 32.58 1rjb s VAL 844 CO 0.03 0.13 0.42 -0.60 0.00 0.00 0.00 175.10 175.08 1rjb s ARG 845 N 0.78 0.60 7.49 2.72 3.00 -0.31 -4.99 118.95 128.24 1rjb s ARG 845 Ca 0.59 -0.48 0.00 0.00 -1.00 0.00 0.00 55.73 54.83 1rjb s ARG 845 Cb -0.32 -0.49 0.00 0.00 0.00 0.00 0.00 34.95 34.14 1rjb s ARG 845 CO 0.31 -1.15 0.00 0.41 0.00 0.00 0.00 175.30 174.87 1rjb n GLY 846 N 4.60 3.92 0.62 8.12 0.00 -1.26 -0.54 105.19 120.64 1rjb n GLY 846 Ca 0.08 0.04 0.06 0.00 0.00 0.00 0.00 46.02 46.20 1rjb n GLY 846 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1rjb n ASN 847 N 6.67 1.79 -4.65 1.61 5.03 -1.26 -4.89 115.26 119.55 1rjb n ASN 847 Ca 0.00 -1.98 -0.29 0.00 0.87 0.00 0.00 54.58 53.18 1rjb n ASN 847 Cb 0.00 -0.22 -0.08 0.00 -1.02 0.00 0.00 39.78 38.46 1rjb n ASN 847 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1rjb s ALA 848 N -1.57 3.18 -0.34 5.41 0.00 0.30 -5.08 121.76 123.66 1rjb s ALA 848 Ca 0.23 -1.23 0.00 0.00 0.00 0.00 0.00 51.96 50.96 1rjb s ALA 848 Cb 0.12 -1.05 0.11 0.00 0.00 0.00 0.00 23.12 22.30 1rjb s ALA 848 CO 0.16 0.61 0.13 1.03 0.00 0.00 0.00 175.76 177.70 1rjb s ARG 849 N -2.50 0.90 -0.18 0.00 1.81 -1.26 -1.16 118.95 116.56 1rjb s ARG 849 Ca 0.25 -1.36 -0.11 0.00 -1.72 0.00 0.00 55.73 52.79 1rjb s ARG 849 Cb -0.11 -2.13 -0.05 0.00 -0.45 0.00 0.00 34.95 32.21 1rjb s ARG 849 CO 0.17 -1.03 0.17 -0.51 -0.68 0.00 0.00 175.30 173.42 1rjb s LEU 850 N 1.25 4.23 -1.51 2.53 1.43 -0.43 -4.77 118.68 121.40 1rjb s LEU 850 Ca 0.12 0.31 -0.10 0.00 -1.03 0.00 0.00 54.13 53.43 1rjb s LEU 850 Cb -0.19 -2.16 -0.00 0.00 0.03 0.00 0.00 46.19 43.86 1rjb s LEU 850 CO -0.17 0.18 2.61 -0.81 0.23 0.00 0.00 176.35 178.38 1rjb n PRO 851 N 3.43 3.63 -0.30 1.29 -0.04 -1.26 0.07 135.00 141.82 1rjb n PRO 851 Ca -0.15 -2.61 0.12 0.00 -0.04 0.00 0.00 63.50 60.82 1rjb n PRO 851 Cb 0.52 -2.90 0.27 0.00 -0.04 0.00 0.00 33.50 31.35 1rjb n PRO 851 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1rjb h VAL 852 N 3.24 0.21 0.00 0.52 2.07 -1.94 0.05 116.25 120.40 1rjb h VAL 852 Ca 0.74 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 68.22 1rjb h VAL 852 Cb 0.40 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1rjb h VAL 852 CO 1.75 0.02 0.00 0.29 0.02 0.00 0.00 177.57 179.65 1rjb n LYS 853 N -5.34 0.08 -0.00 1.57 5.02 -1.26 -2.13 118.16 116.10 1rjb n LYS 853 Ca 0.21 0.37 0.09 0.00 -2.02 0.00 0.00 58.31 56.96 1rjb n LYS 853 Cb 0.68 -1.68 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 1rjb n LYS 853 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 1rjb n TRP 854 N -1.84 0.00 -2.69 2.13 8.01 -0.01 -4.98 117.44 118.06 1rjb n TRP 854 Ca 0.02 0.00 -0.41 0.00 -1.31 0.00 0.00 57.50 55.80 1rjb n TRP 854 Cb 0.17 -0.01 -0.04 0.00 -2.01 0.00 0.00 31.31 29.42 1rjb n TRP 854 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 1rjb s MET 855 N -2.89 4.64 0.70 -0.99 -1.94 -0.91 -3.92 119.30 114.00 1rjb s MET 855 Ca 0.07 1.48 -0.15 0.00 -1.71 0.00 0.00 55.69 55.39 1rjb s MET 855 Cb 0.15 -3.39 0.02 0.00 2.01 0.00 0.00 34.83 33.63 1rjb s MET 855 CO 0.82 0.12 1.16 0.00 -0.01 0.00 0.00 175.02 177.11 1rjb s ALA 856 N 0.26 2.27 0.23 3.03 0.00 -1.26 -4.75 121.76 121.54 1rjb s ALA 856 Ca 0.49 0.71 -0.07 0.00 0.00 0.00 0.00 51.96 53.09 1rjb s ALA 856 Cb -0.24 -3.40 0.32 0.00 0.00 0.00 0.00 23.12 19.81 1rjb s ALA 856 CO 0.30 -1.61 1.80 -1.35 0.00 0.00 0.00 175.76 174.89 1rjb h PRO 857 N -0.18 0.66 0.00 0.00 0.11 -1.95 -0.51 132.00 130.13 1rjb h PRO 857 Ca -0.47 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.58 1rjb h PRO 857 Cb 1.27 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rjb h PRO 857 CO 0.52 0.44 -0.10 1.05 -0.21 0.00 0.00 178.00 179.69 1rjb h GLU 858 N 0.68 0.00 0.19 1.05 9.09 -1.89 0.16 114.58 123.86 1rjb h GLU 858 Ca 0.35 0.00 -0.28 0.00 0.05 0.00 0.00 59.36 59.47 1rjb h GLU 858 Cb 0.31 0.00 0.03 0.00 -1.65 0.00 0.00 28.75 27.44 1rjb h GLU 858 CO -0.24 0.10 -1.23 0.77 0.05 0.00 0.00 179.01 178.47 1rjb h SER 859 N 0.00 0.76 -0.12 3.06 0.02 -1.06 -1.00 113.55 115.22 1rjb h SER 859 Ca -0.00 -0.90 -0.01 0.00 -0.84 0.00 0.00 61.79 60.04 1rjb h SER 859 Cb 0.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1rjb h SER 859 CO 0.01 1.59 0.04 -0.07 -1.14 0.00 0.00 176.83 177.27 1rjb h LEU 860 N 0.04 0.16 0.00 5.07 3.38 -0.44 -2.31 115.31 121.20 1rjb h LEU 860 Ca -0.21 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.59 1rjb h LEU 860 Cb 1.95 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 42.66 1rjb h LEU 860 CO 0.23 0.29 -1.08 0.49 0.09 0.00 0.00 178.44 178.46 1rjb n PHE 861 N -4.90 0.21 -0.49 1.13 0.99 0.50 -4.55 117.46 110.36 1rjb n PHE 861 Ca -0.05 0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.46 1rjb n PHE 861 Cb 0.12 -0.39 0.00 0.00 -1.00 0.00 0.00 39.48 38.21 1rjb n PHE 861 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1rjb n GLU 862 N -1.92 0.06 -1.51 -1.08 1.02 -0.42 -5.01 120.64 111.78 1rjb n GLU 862 Ca 0.02 -0.18 -0.14 0.00 -0.02 0.00 0.00 57.16 56.83 1rjb n GLU 862 Cb 0.43 -0.64 -0.05 0.00 -0.02 0.00 0.00 31.44 31.16 1rjb n GLU 862 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rjb n GLY 863 N 0.06 1.26 3.76 0.62 0.00 -0.87 -4.95 105.19 105.08 1rjb n GLY 863 Ca 0.00 -0.36 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1rjb n GLY 863 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjb s ILE 864 N -2.54 5.06 -0.23 -0.61 1.01 -0.94 -4.94 121.20 118.00 1rjb s ILE 864 Ca 0.00 1.00 -0.03 0.00 0.00 0.00 0.00 60.65 61.62 1rjb s ILE 864 Cb 0.00 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.73 1rjb s ILE 864 CO 0.00 0.42 0.08 -0.31 0.00 0.00 0.00 174.94 175.13 1rjb s TYR 865 N -0.06 0.90 0.51 3.97 1.51 -1.26 -2.94 117.35 119.99 1rjb s TYR 865 Ca 0.27 -0.96 0.01 0.00 -1.01 0.00 0.00 57.07 55.37 1rjb s TYR 865 Cb -0.16 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.59 1rjb s TYR 865 CO 0.13 -0.69 0.01 0.95 -1.11 0.00 0.00 175.55 174.84 1rjb s THR 866 N 1.90 1.01 0.42 -0.71 -4.23 -1.26 -4.98 115.64 107.79 1rjb s THR 866 Ca 0.04 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.70 1rjb s THR 866 Cb -0.17 -2.09 0.17 0.00 1.34 0.00 0.00 72.50 71.75 1rjb s THR 866 CO -0.17 0.00 1.95 -0.29 -0.54 0.00 0.00 174.62 175.57 1rjb h ILE 867 N 1.34 1.11 -0.12 2.99 6.09 -1.98 -1.68 117.51 125.26 1rjb h ILE 867 Ca -0.43 -0.81 -0.11 0.00 -1.37 0.00 0.00 64.86 62.14 1rjb h ILE 867 Cb 1.32 1.44 -0.01 0.00 0.47 0.00 0.00 36.82 40.04 1rjb h ILE 867 CO 0.72 0.23 -0.42 0.11 -3.07 0.00 0.00 178.15 175.72 1rjb h LYS 868 N 0.00 0.27 -0.41 2.19 1.57 -1.95 -1.49 116.57 116.75 1rjb h LYS 868 Ca -0.00 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.58 1rjb h LYS 868 Cb 0.43 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.71 1rjb h LYS 868 CO 0.03 0.64 -0.02 0.77 -0.57 0.00 0.00 179.45 180.30 1rjb h SER 869 N 0.22 0.64 0.37 0.86 0.02 -1.70 -1.87 113.55 112.09 1rjb h SER 869 Ca 0.02 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 60.77 1rjb h SER 869 Cb 0.83 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.20 1rjb h SER 869 CO 0.07 0.73 -0.25 0.44 -1.14 0.00 0.00 176.83 176.67 1rjb h ASP 870 N 0.63 0.00 -0.38 3.07 3.32 -0.83 -1.36 116.42 120.88 1rjb h ASP 870 Ca 0.13 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.08 1rjb h ASP 870 Cb 0.43 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 1rjb h ASP 870 CO 0.02 0.25 -0.10 0.58 -1.72 0.00 0.00 179.24 178.27 1rjb h VAL 871 N 0.00 1.26 0.24 -1.35 2.07 -0.60 0.37 116.25 118.23 1rjb h VAL 871 Ca -0.00 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.34 1rjb h VAL 871 Cb 0.50 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1rjb h VAL 871 CO 0.03 0.40 -0.12 -0.25 0.02 0.00 0.00 177.57 177.66 1rjb h TRP 872 N 0.74 -0.30 -0.90 1.57 2.91 -1.06 -1.39 115.95 117.51 1rjb h TRP 872 Ca 0.13 -0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.19 1rjb h TRP 872 Cb 0.58 0.10 -0.06 0.00 -0.51 0.00 0.00 29.16 29.28 1rjb h TRP 872 CO 0.03 -0.04 0.59 0.77 -1.03 0.00 0.00 178.44 178.76 1rjb h SER 873 N -0.53 0.92 -0.78 2.65 0.02 -1.11 0.10 113.55 114.82 1rjb h SER 873 Ca -0.03 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1rjb h SER 873 Cb 0.39 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1rjb h SER 873 CO 0.05 0.61 0.52 0.22 -1.14 0.00 0.00 176.83 177.09 1rjb h TYR 874 N 1.06 0.96 -0.61 3.45 3.20 0.01 0.88 116.97 125.93 1rjb h TYR 874 Ca 0.38 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.22 1rjb h TYR 874 Cb 0.14 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1rjb h TYR 874 CO -0.00 0.58 0.18 0.78 -1.64 0.00 0.00 178.16 178.06 1rjb h GLY 875 N 1.02 0.99 1.03 1.82 0.00 0.14 0.10 103.07 108.17 1rjb h GLY 875 Ca 0.30 -0.56 -0.09 0.00 0.00 0.00 0.00 47.33 46.98 1rjb h GLY 875 CO -0.08 0.52 -0.03 -2.22 0.00 0.00 0.00 176.54 174.74 1rjb h ILE 876 N 0.89 1.27 -0.35 2.60 1.08 -0.56 -1.90 117.51 120.53 1rjb h ILE 876 Ca 0.20 -1.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.49 1rjb h ILE 876 Cb 0.27 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.98 1rjb h ILE 876 CO -0.01 0.40 0.08 0.25 -0.69 0.00 0.00 178.15 178.18 1rjb h LEU 877 N 0.79 0.48 -0.49 1.44 6.46 -0.26 -0.00 115.31 123.72 1rjb h LEU 877 Ca 0.14 -0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.81 1rjb h LEU 877 Cb 0.57 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1rjb h LEU 877 CO 0.03 0.49 0.20 -0.07 -0.62 0.00 0.00 178.44 178.48 1rjb h LEU 878 N 0.51 0.68 -0.75 2.25 3.38 -0.42 0.25 115.31 121.21 1rjb h LEU 878 Ca 0.12 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1rjb h LEU 878 Cb 0.21 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1rjb h LEU 878 CO -0.00 0.66 0.40 -0.25 0.09 0.00 0.00 178.44 179.33 1rjb h TRP 879 N 0.66 1.05 -0.48 1.13 7.01 -0.52 0.01 115.95 124.81 1rjb h TRP 879 Ca 0.17 -0.03 0.03 0.00 2.11 0.00 0.00 58.89 61.16 1rjb h TRP 879 Cb 0.19 -0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 1rjb h TRP 879 CO 0.00 0.75 0.26 0.93 -2.79 0.00 0.00 178.44 177.60 1rjb h GLU 880 N 1.05 0.51 0.12 2.65 5.08 -0.33 -2.32 114.58 121.34 1rjb h GLU 880 Ca 0.26 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.59 1rjb h GLU 880 Cb 0.06 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1rjb h GLU 880 CO -0.04 0.34 -0.06 0.82 -1.00 0.00 0.00 179.01 179.07 1rjb h ILE 881 N 0.52 0.92 -0.03 3.13 2.04 -0.26 0.35 117.51 124.18 1rjb h ILE 881 Ca 0.20 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1rjb h ILE 881 Cb 0.07 1.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1rjb h ILE 881 CO -0.12 0.04 0.00 0.49 0.00 0.00 0.00 178.15 178.56 1rjb n PHE 882 N -5.13 0.06 -0.24 1.37 3.01 -0.08 -1.88 117.46 114.57 1rjb n PHE 882 Ca -0.08 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1rjb n PHE 882 Cb 0.12 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1rjb n PHE 882 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1rjb n SER 883 N -0.24 0.84 -3.53 4.37 3.41 -0.89 -1.50 113.62 116.08 1rjb n SER 883 Ca 0.01 -1.08 -0.21 0.00 -0.26 0.00 0.00 58.87 57.33 1rjb n SER 883 Cb 0.13 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.16 1rjb n SER 883 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1rjb n LEU 884 N -0.04 -3.67 0.00 1.04 4.77 -0.79 -3.94 117.00 114.37 1rjb n LEU 884 Ca 0.00 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.40 1rjb n LEU 884 Cb 0.08 -3.07 0.00 0.00 -2.33 0.00 0.00 43.42 38.10 1rjb n LEU 884 CO 0.00 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1rjb n GLY 885 N -1.65 0.93 3.79 -0.72 0.00 0.12 -3.80 105.19 103.85 1rjb n GLY 885 Ca -0.12 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 1rjb n GLY 885 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjb s VAL 886 N -2.00 4.28 0.30 1.61 1.01 -1.25 -4.89 120.40 119.45 1rjb s VAL 886 Ca 0.00 1.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.40 1rjb s VAL 886 Cb 0.00 -3.97 -0.12 0.00 0.00 0.00 0.00 36.38 32.29 1rjb s VAL 886 CO 0.00 0.14 1.56 -3.20 0.00 0.00 0.00 175.10 173.60 1rjb n ASN 887 N 0.55 3.73 -4.72 3.32 5.15 -1.26 -4.71 115.26 117.32 1rjb n ASN 887 Ca 0.01 1.15 -0.36 0.00 -0.60 0.00 0.00 54.58 54.79 1rjb n ASN 887 Cb 0.50 -1.58 0.09 0.00 -0.53 0.00 0.00 39.78 38.27 1rjb n ASN 887 CO 0.00 0.00 0.00 -2.65 1.40 0.00 0.00 177.26 176.01 1rjb n PRO 888 N 1.97 0.75 -4.00 1.20 -0.02 -1.26 -3.06 135.00 130.58 1rjb n PRO 888 Ca 0.08 0.32 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1rjb n PRO 888 Cb 0.36 -2.50 -0.01 0.00 -0.02 0.00 0.00 33.50 31.33 1rjb n PRO 888 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1rjb n TYR 889 N -2.46 -1.56 -1.66 6.00 4.02 -1.26 -4.77 117.16 115.46 1rjb n TYR 889 Ca 0.15 0.48 -0.49 0.00 -0.01 0.00 0.00 57.90 58.03 1rjb n TYR 889 Cb 0.49 -3.24 -0.05 0.00 -0.02 0.00 0.00 39.34 36.52 1rjb n TYR 889 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 176.86 175.50 1rjb n PRO 890 N -4.56 1.85 0.00 -0.72 -0.04 -1.17 -1.27 135.00 129.09 1rjb n PRO 890 Ca -0.22 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1rjb n PRO 890 Cb 0.64 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.68 1rjb n PRO 890 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1rjb n GLY 891 N 3.45 2.01 3.62 0.55 0.00 -1.26 -5.02 105.19 108.54 1rjb n GLY 891 Ca 0.19 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.82 1rjb n GLY 891 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjb s ILE 892 N -2.50 5.19 0.67 -0.61 1.01 -0.39 -5.07 121.20 119.49 1rjb s ILE 892 Ca 0.00 0.57 -0.11 0.00 0.00 0.00 0.00 60.65 61.11 1rjb s ILE 892 Cb 0.00 -3.69 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 1rjb s ILE 892 CO 0.00 0.18 1.05 -2.16 0.00 0.00 0.00 174.94 174.01 1rjb s PRO 893 N 1.90 3.19 -0.40 2.79 0.04 -1.26 -4.98 135.00 136.27 1rjb s PRO 893 Ca 0.15 0.83 -0.20 0.00 0.04 0.00 0.00 61.00 61.82 1rjb s PRO 893 Cb -0.15 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.37 1rjb s PRO 893 CO 0.09 -0.89 0.63 0.08 0.04 0.00 0.00 177.00 176.96 1rjb s VAL 894 N -3.12 4.86 0.13 -0.36 1.01 -1.26 -4.49 120.40 117.17 1rjb s VAL 894 Ca 0.57 0.29 -0.04 0.00 0.00 0.00 0.00 61.98 62.79 1rjb s VAL 894 Cb -0.13 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.13 1rjb s VAL 894 CO 0.54 -0.47 0.25 -0.90 0.00 0.00 0.00 175.10 174.52 1rjb n ASP 895 N 6.15 -0.72 -0.18 3.32 5.68 -1.26 -4.98 116.55 124.56 1rjb n ASP 895 Ca -0.02 -1.57 0.12 0.00 -0.50 0.00 0.00 54.79 52.82 1rjb n ASP 895 Cb 0.48 1.22 0.43 0.00 -1.14 0.00 0.00 41.12 42.12 1rjb n ASP 895 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1rjb h ALA 896 N 1.92 1.92 0.00 2.12 0.00 -2.01 -0.49 119.26 122.71 1rjb h ALA 896 Ca -0.11 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1rjb h ALA 896 Cb 0.42 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1rjb h ALA 896 CO 0.14 -0.09 -0.25 -0.91 0.00 0.00 0.00 179.25 178.13 1rjb h ASN 897 N 0.57 0.00 -0.30 0.00 2.35 -1.96 -2.39 115.58 113.85 1rjb h ASN 897 Ca 0.36 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 56.04 1rjb h ASN 897 Cb 0.60 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.96 1rjb h ASN 897 CO -0.13 0.25 -0.07 0.15 -1.65 0.00 0.00 177.43 175.98 1rjb h PHE 898 N 0.00 0.65 -0.76 1.19 3.04 -1.31 -1.13 116.94 118.62 1rjb h PHE 898 Ca -0.00 -0.14 -0.01 0.00 3.98 0.00 0.00 57.97 61.80 1rjb h PHE 898 Cb 0.52 -0.16 -0.04 0.00 2.56 0.00 0.00 35.95 38.83 1rjb h PHE 898 CO 0.00 0.77 0.45 1.88 -2.02 0.00 0.00 178.31 179.39 1rjb h TYR 899 N 0.35 1.02 -0.68 0.41 -1.99 -1.42 -2.12 116.97 112.54 1rjb h TYR 899 Ca 0.08 -0.01 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 1rjb h TYR 899 Cb 0.56 -0.33 -0.03 0.00 2.00 0.00 0.00 36.73 38.93 1rjb h TYR 899 CO 0.05 0.70 0.20 0.87 -0.00 0.00 0.00 178.16 179.98 1rjb h LYS 900 N 1.05 1.06 0.11 4.88 1.57 -1.30 -1.05 116.57 122.89 1rjb h LYS 900 Ca 0.27 -0.22 0.01 0.00 -1.87 0.00 0.00 60.65 58.85 1rjb h LYS 900 Cb -0.01 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.11 1rjb h LYS 900 CO -0.05 0.91 -0.20 -0.07 -0.57 0.00 0.00 179.45 179.47 1rjb h LEU 901 N 1.01 -0.56 0.08 2.94 3.38 -0.69 -0.24 115.31 121.24 1rjb h LEU 901 Ca 0.22 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.27 1rjb h LEU 901 Cb 0.30 0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 1rjb h LEU 901 CO -0.01 -0.28 -0.12 0.40 0.09 0.00 0.00 178.44 178.52 1rjb h ILE 902 N -0.38 0.71 -0.93 1.22 1.08 -1.21 -1.79 117.51 116.20 1rjb h ILE 902 Ca 0.03 0.00 0.19 0.00 -0.39 0.00 0.00 64.86 64.69 1rjb h ILE 902 Cb 0.40 0.71 -0.08 0.00 -3.07 0.00 0.00 36.82 34.79 1rjb h ILE 902 CO -0.11 0.00 0.60 -0.61 -0.69 0.00 0.00 178.15 177.34 1rjb h GLN 903 N -0.25 0.53 -0.00 2.37 5.75 -0.95 -0.03 115.11 122.53 1rjb h GLN 903 Ca 0.02 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1rjb h GLN 903 Cb 0.26 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.69 1rjb h GLN 903 CO -0.07 0.35 -0.02 0.09 -2.65 0.00 0.00 178.83 176.53 1rjb n ASN 904 N -4.58 0.07 0.00 -0.69 5.03 -0.12 -4.91 115.26 110.06 1rjb n ASN 904 Ca 0.20 -0.17 0.00 0.00 0.87 0.00 0.00 54.58 55.48 1rjb n ASN 904 Cb 0.64 -0.26 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 1rjb n ASN 904 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rjb n GLY 905 N 1.30 0.93 3.73 7.41 0.00 -0.03 -5.05 105.19 113.49 1rjb n GLY 905 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1rjb n GLY 905 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1rjb n PHE 906 N -2.05 2.75 -4.10 1.61 7.35 -0.73 -5.01 117.46 117.28 1rjb n PHE 906 Ca 0.00 0.30 -0.14 0.00 -0.76 0.00 0.00 57.45 56.85 1rjb n PHE 906 Cb 0.00 -2.57 -0.11 0.00 0.35 0.00 0.00 39.48 37.15 1rjb n PHE 906 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 1rjb s LYS 907 N -0.60 0.62 0.68 -4.13 1.02 -1.26 -4.72 119.74 111.35 1rjb s LYS 907 Ca 0.64 -0.87 -0.14 0.00 0.02 0.00 0.00 55.97 55.62 1rjb s LYS 907 Cb -0.52 -0.37 0.01 0.00 -0.52 0.00 0.00 37.83 36.42 1rjb s LYS 907 CO 0.50 0.06 1.09 -1.64 -0.92 0.00 0.00 175.35 174.44 1rjb s MET 908 N -1.91 2.77 0.77 1.68 -1.94 -1.26 -5.03 119.30 114.38 1rjb s MET 908 Ca -0.06 1.27 -0.12 0.00 -1.71 0.00 0.00 55.69 55.08 1rjb s MET 908 Cb -0.08 -1.95 0.05 0.00 2.01 0.00 0.00 34.83 34.86 1rjb s MET 908 CO 0.00 -1.26 1.10 -0.51 -0.01 0.00 0.00 175.02 174.34 1rjb s ASP 909 N -2.92 4.78 0.02 3.03 -0.00 -1.26 -4.98 116.67 115.34 1rjb s ASP 909 Ca 0.64 1.21 -0.30 0.00 -0.00 0.00 0.00 52.55 54.10 1rjb s ASP 909 Cb -0.18 -1.95 -0.07 0.00 -0.00 0.00 0.00 42.92 40.71 1rjb s ASP 909 CO 0.45 -1.78 1.71 -1.58 -0.00 0.00 0.00 175.17 173.98 1rjb s GLN 910 N -5.25 4.18 0.75 8.23 0.74 -1.26 -4.98 119.66 122.08 1rjb s GLN 910 Ca 0.60 2.34 -0.11 0.00 0.05 0.00 0.00 55.36 58.24 1rjb s GLN 910 Cb -0.13 -3.84 0.05 0.00 1.10 0.00 0.00 33.01 30.19 1rjb s GLN 910 CO 0.53 -0.82 1.08 -1.25 -0.55 0.00 0.00 175.29 174.29 1rjb s PRO 911 N 3.46 2.42 0.17 1.67 0.04 -1.26 -4.96 135.00 136.54 1rjb s PRO 911 Ca 0.76 1.10 -0.20 0.00 0.04 0.00 0.00 61.00 62.71 1rjb s PRO 911 Cb -0.38 -1.92 0.09 0.00 0.04 0.00 0.00 34.50 32.33 1rjb s PRO 911 CO 0.33 -1.51 1.63 0.35 0.04 0.00 0.00 177.00 177.84 1rjb h PHE 912 N -1.03 -0.52 0.00 0.56 3.57 -1.94 -2.54 116.94 115.05 1rjb h PHE 912 Ca -0.44 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.11 1rjb h PHE 912 Cb 1.23 0.29 0.00 0.00 2.79 0.00 0.00 35.95 40.25 1rjb h PHE 912 CO 0.59 -0.28 0.00 0.66 -2.23 0.00 0.00 178.31 177.04 1rjb n TYR 913 N -5.37 0.00 -2.78 0.41 4.02 -0.57 -4.83 117.16 108.04 1rjb n TYR 913 Ca 0.02 0.00 -0.31 0.00 -0.01 0.00 0.00 57.90 57.60 1rjb n TYR 913 Cb 0.29 -0.17 -0.04 0.00 -0.02 0.00 0.00 39.34 39.40 1rjb n TYR 913 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1rjb s ALA 914 N -2.34 3.27 0.49 -0.72 0.00 -0.96 -4.97 121.76 116.52 1rjb s ALA 914 Ca 0.32 -0.06 0.05 0.00 0.00 0.00 0.00 51.96 52.28 1rjb s ALA 914 Cb 0.18 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.50 1rjb s ALA 914 CO 0.37 -0.01 0.67 0.95 0.00 0.00 0.00 175.76 177.74 1rjb s THR 915 N -2.38 2.79 0.35 0.00 -4.23 -1.26 -4.90 115.64 106.01 1rjb s THR 915 Ca 0.54 -0.87 0.08 0.00 -1.18 0.00 0.00 61.69 60.26 1rjb s THR 915 Cb -0.10 -2.92 0.11 0.00 1.34 0.00 0.00 72.50 70.92 1rjb s THR 915 CO 0.29 0.00 1.82 -0.08 -0.54 0.00 0.00 174.62 176.11 1rjb h GLU 916 N 0.37 0.23 -0.34 3.99 4.81 -1.98 -2.03 114.58 119.62 1rjb h GLU 916 Ca -0.40 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.70 1rjb h GLU 916 Cb 1.29 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.63 1rjb h GLU 916 CO 0.47 0.48 -0.00 0.93 -0.73 0.00 0.00 179.01 180.15 1rjb h GLU 917 N 0.21 0.60 -0.70 1.92 3.07 -1.99 -1.06 114.58 116.62 1rjb h GLU 917 Ca 0.03 -0.19 -0.02 0.00 -0.50 0.00 0.00 59.36 58.68 1rjb h GLU 917 Cb 0.57 -0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.39 1rjb h GLU 917 CO 0.04 0.73 0.36 0.82 -1.40 0.00 0.00 179.01 179.56 1rjb h ILE 918 N 0.41 1.22 -0.26 3.13 2.04 -1.91 -2.42 117.51 119.72 1rjb h ILE 918 Ca 0.10 -0.60 -0.04 0.00 1.00 0.00 0.00 64.86 65.31 1rjb h ILE 918 Cb 0.45 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.85 1rjb h ILE 918 CO 0.02 0.26 -0.03 0.22 0.00 0.00 0.00 178.15 178.62 1rjb h TYR 919 N 0.97 0.42 -0.28 1.37 3.20 -1.12 -0.30 116.97 121.23 1rjb h TYR 919 Ca 0.24 -0.04 -0.08 0.00 3.14 0.00 0.00 58.73 62.00 1rjb h TYR 919 Cb 0.08 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 1rjb h TYR 919 CO 0.00 0.44 -0.17 0.82 -1.64 0.00 0.00 178.16 177.61 1rjb h ILE 920 N 0.39 1.24 -0.21 1.81 2.04 -0.77 -0.77 117.51 121.24 1rjb h ILE 920 Ca 0.09 -1.12 -0.07 0.00 1.00 0.00 0.00 64.86 64.75 1rjb h ILE 920 Cb 0.31 1.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1rjb h ILE 920 CO 0.01 0.36 -0.15 0.40 0.00 0.00 0.00 178.15 178.77 1rjb h ILE 921 N 0.46 1.32 -0.25 -0.67 2.04 -0.78 -2.57 117.51 117.05 1rjb h ILE 921 Ca 0.08 -1.26 0.05 0.00 1.00 0.00 0.00 64.86 64.73 1rjb h ILE 921 Cb 0.56 1.68 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 1rjb h ILE 921 CO 0.04 0.39 -0.08 0.24 0.00 0.00 0.00 178.15 178.74 1rjb h MET 922 N 0.16 -0.02 -0.89 2.37 2.86 -0.74 -2.05 114.93 116.62 1rjb h MET 922 Ca 0.04 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 1rjb h MET 922 Cb 0.67 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.28 1rjb h MET 922 CO 0.04 -0.01 0.58 1.96 1.06 0.00 0.00 176.91 180.54 1rjb h GLN 923 N -0.02 1.02 0.00 1.72 4.20 -1.11 -1.45 115.11 119.47 1rjb h GLN 923 Ca 0.12 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.67 1rjb h GLN 923 Cb 0.21 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1rjb h GLN 923 CO -0.27 0.67 -0.49 0.66 -0.67 0.00 0.00 178.83 178.73 1rjb h SER 924 N 1.05 0.00 0.60 1.46 4.64 -1.03 -1.99 113.55 118.28 1rjb h SER 924 Ca 0.37 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.67 1rjb h SER 924 Cb 0.13 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1rjb h SER 924 CO -0.13 0.49 -0.10 0.00 -0.87 0.00 0.00 176.83 176.22 1rjb n TRP 926 N -3.39 2.56 -2.11 0.00 8.01 -0.75 -3.73 117.44 118.03 1rjb n TRP 926 Ca -0.01 -1.35 -0.42 0.00 -1.31 0.00 0.00 57.50 54.41 1rjb n TRP 926 Cb 0.28 -0.75 -0.03 0.00 -2.01 0.00 0.00 31.31 28.80 1rjb n TRP 926 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.69 176.68 1rjb s ALA 927 N -2.96 3.60 0.16 6.99 0.00 -1.04 -4.88 121.76 123.63 1rjb s ALA 927 Ca 0.53 1.21 -0.15 0.00 0.00 0.00 0.00 51.96 53.55 1rjb s ALA 927 Cb 0.43 -3.53 0.05 0.00 0.00 0.00 0.00 23.12 20.07 1rjb s ALA 927 CO 0.12 -0.64 1.82 0.35 0.00 0.00 0.00 175.76 177.41 1rjb h PHE 928 N 5.70 0.56 -3.17 0.00 3.57 -1.92 -3.39 116.94 118.29 1rjb h PHE 928 Ca -0.44 0.01 -0.57 0.00 3.53 0.00 0.00 57.97 60.50 1rjb h PHE 928 Cb 1.21 -0.19 -0.05 0.00 2.79 0.00 0.00 35.95 39.72 1rjb h PHE 928 CO 0.62 0.34 0.96 0.34 -2.23 0.00 0.00 178.31 178.35 1rjb s ASP 929 N -5.60 6.69 0.46 0.41 3.68 -1.26 -4.87 116.67 116.19 1rjb s ASP 929 Ca -0.13 1.18 0.18 0.00 2.13 0.00 0.00 52.55 55.90 1rjb s ASP 929 Cb 0.12 -2.54 1.15 0.00 -1.45 0.00 0.00 42.92 40.19 1rjb s ASP 929 CO 0.73 -1.07 1.98 0.77 0.13 0.00 0.00 175.17 177.71 1rjb h SER 930 N 9.21 0.26 0.05 -0.34 4.64 -1.97 -1.45 113.55 123.95 1rjb h SER 930 Ca -0.26 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.06 1rjb h SER 930 Cb 1.09 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1rjb h SER 930 CO 1.04 0.15 -0.06 0.03 -0.87 0.00 0.00 176.83 177.11 1rjb h ARG 931 N 0.28 0.04 0.00 4.77 -0.00 -1.93 -2.58 114.38 114.96 1rjb h ARG 931 Ca 0.28 -0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.76 1rjb h ARG 931 Cb 0.72 -0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.69 1rjb h ARG 931 CO -0.06 0.10 0.00 1.63 0.00 0.00 0.00 179.97 181.64 1rjb n LYS 932 N -4.44 0.13 -2.33 0.04 5.02 -0.55 -4.85 118.16 111.18 1rjb n LYS 932 Ca -0.02 0.12 -0.33 0.00 -2.02 0.00 0.00 58.31 56.06 1rjb n LYS 932 Cb 0.15 -1.66 -0.02 0.00 -0.02 0.00 0.00 35.03 33.49 1rjb n LYS 932 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1rjb s ARG 933 N -3.06 3.66 0.92 1.97 0.52 -0.97 -4.93 118.95 117.06 1rjb s ARG 933 Ca 0.12 1.21 -0.12 0.00 -0.52 0.00 0.00 55.73 56.41 1rjb s ARG 933 Cb 0.15 -2.08 0.14 0.00 0.52 0.00 0.00 34.95 33.68 1rjb s ARG 933 CO 0.55 -0.53 1.13 -1.25 0.02 0.00 0.00 175.30 175.22 1rjb s PRO 934 N -3.73 1.07 0.37 3.54 0.04 -1.26 -5.05 135.00 129.98 1rjb s PRO 934 Ca 0.64 0.31 0.03 0.00 0.04 0.00 0.00 61.00 62.01 1rjb s PRO 934 Cb -0.15 -1.83 -0.02 0.00 0.04 0.00 0.00 34.50 32.55 1rjb s PRO 934 CO 0.28 -2.25 0.55 -1.54 0.04 0.00 0.00 177.00 174.09 1rjb s SER 935 N -3.97 6.04 0.13 6.66 1.04 -1.26 -4.92 113.70 117.41 1rjb s SER 935 Ca 0.64 0.18 -0.15 0.00 0.48 0.00 0.00 55.95 57.09 1rjb s SER 935 Cb -0.15 -1.62 -0.01 0.00 0.10 0.00 0.00 66.02 64.34 1rjb s SER 935 CO 0.54 -0.45 1.62 -0.26 0.98 0.00 0.00 173.24 175.67 1rjb h PHE 936 N 0.71 0.69 -0.30 5.02 0.04 -1.94 0.26 116.94 121.42 1rjb h PHE 936 Ca -0.48 -0.09 0.00 0.00 2.80 0.00 0.00 57.97 60.21 1rjb h PHE 936 Cb 1.24 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 1rjb h PHE 936 CO 0.46 0.67 0.19 -1.00 -0.60 0.00 0.00 178.31 178.03 1rjb h PRO 937 N 0.51 0.39 0.42 1.51 0.13 -1.94 0.35 132.00 133.38 1rjb h PRO 937 Ca 0.13 -0.03 -0.02 0.00 -0.87 0.00 0.00 66.00 65.21 1rjb h PRO 937 Cb 0.33 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.38 1rjb h PRO 937 CO 0.00 0.27 -0.20 -0.91 -0.23 0.00 0.00 178.00 176.93 1rjb h ASN 938 N 0.40 -0.48 -0.95 1.44 2.35 -1.65 -2.77 115.58 113.93 1rjb h ASN 938 Ca 0.11 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.91 1rjb h ASN 938 Cb -0.04 0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.40 1rjb h ASN 938 CO -0.02 -0.30 0.61 -0.07 -1.65 0.00 0.00 177.43 176.00 1rjb h LEU 939 N -0.61 0.96 -1.62 1.61 3.38 0.71 -1.42 115.31 118.32 1rjb h LEU 939 Ca -0.06 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1rjb h LEU 939 Cb 0.46 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1rjb h LEU 939 CO 0.09 0.62 -0.01 0.74 0.09 0.00 0.00 178.44 179.98 1rjb h THR 940 N 1.09 1.11 0.08 0.22 2.02 -0.19 -0.99 112.91 116.26 1rjb h THR 940 Ca 0.41 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 67.16 1rjb h THR 940 Cb 0.18 1.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.59 1rjb h THR 940 CO -0.16 0.14 -0.04 0.28 0.37 0.00 0.00 175.52 176.12 1rjb h SER 941 N 0.23 -0.09 -0.44 4.18 0.02 -1.01 0.26 113.55 116.69 1rjb h SER 941 Ca 0.05 -0.49 0.09 0.00 -0.84 0.00 0.00 61.79 60.60 1rjb h SER 941 Cb 0.17 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.64 1rjb h SER 941 CO 0.00 0.57 -0.29 -0.26 -1.14 0.00 0.00 176.83 175.71 1rjb h PHE 942 N -0.89 -0.79 -0.39 3.45 0.05 -1.26 0.26 116.94 117.38 1rjb h PHE 942 Ca -0.01 0.06 -0.07 0.00 3.82 0.00 0.00 57.97 61.77 1rjb h PHE 942 Cb 0.58 0.41 -0.01 0.00 2.00 0.00 0.00 35.95 38.93 1rjb h PHE 942 CO 0.13 -0.36 -0.03 -0.07 -0.18 0.00 0.00 178.31 177.80 1rjb h LEU 943 N -0.20 0.69 -0.92 1.54 3.38 -1.27 0.12 115.31 118.65 1rjb h LEU 943 Ca 0.20 -0.33 0.11 0.00 0.09 0.00 0.00 57.88 57.95 1rjb h LEU 943 Cb 0.52 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1rjb h LEU 943 CO -0.56 0.85 0.56 1.23 0.09 0.00 0.00 178.44 180.61 1rjb h GLY 944 N 0.52 1.47 0.67 0.83 0.00 -0.17 0.11 103.07 106.51 1rjb h GLY 944 Ca 0.11 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 47.04 1rjb h GLY 944 CO 0.03 0.15 -0.18 0.00 0.00 0.00 0.00 176.54 176.53 1rjb h GLN 946 N -0.85 0.24 0.00 0.00 1.08 -0.13 -3.51 115.11 111.93 1rjb h GLN 946 Ca -0.05 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 1rjb h GLN 946 Cb 0.54 -0.05 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1rjb h GLN 946 CO 0.09 0.16 0.00 1.28 -0.95 0.00 0.00 178.83 179.40