#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvb n ALA 579 N 0.00 0.00 -3.32 -1.84 0.00 -1.26 -2.90 120.51 111.19 2kvb n ALA 579 Ca 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 53.44 52.97 2kvb n ALA 579 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 2kvb n ALA 579 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2kvb s GLU 580 N 0.00 3.52 -0.60 0.00 8.01 -1.26 -4.94 118.70 123.42 2kvb s GLU 580 Ca 0.00 -2.35 -0.04 0.00 0.01 0.00 0.00 54.97 52.59 2kvb s GLU 580 Cb 0.00 -4.42 0.16 0.00 -4.31 0.00 0.00 34.13 25.56 2kvb s GLU 580 CO 0.00 -1.30 0.43 0.00 0.01 0.00 0.00 175.26 174.40 2kvb s ALA 581 N 0.39 3.56 -0.33 5.21 0.00 -1.26 -5.04 121.76 124.29 2kvb s ALA 581 Ca 0.16 -3.14 -0.02 0.00 0.00 0.00 0.00 51.96 48.97 2kvb s ALA 581 Cb -0.13 -2.70 0.07 0.00 0.00 0.00 0.00 23.12 20.36 2kvb s ALA 581 CO -0.07 -2.07 0.06 -2.00 0.00 0.00 0.00 175.76 171.68 2kvb s GLU 582 N 0.18 2.28 0.01 0.00 -6.30 -1.26 -5.06 118.70 108.55 2kvb s GLU 582 Ca 0.15 -1.43 0.00 0.00 -2.50 0.00 0.00 54.97 51.20 2kvb s GLU 582 Cb -0.20 -3.29 -0.01 0.00 0.00 0.00 0.00 34.13 30.63 2kvb s GLU 582 CO -0.04 -0.75 -0.02 -0.06 0.02 0.00 0.00 175.26 174.41 2kvb s PHE 583 N 1.21 0.21 0.20 5.30 0.08 -1.26 -5.04 117.98 118.68 2kvb s PHE 583 Ca -0.01 -0.26 0.11 0.00 0.12 0.00 0.00 56.93 56.89 2kvb s PHE 583 Cb -0.20 -0.14 0.23 0.00 -0.57 0.00 0.00 43.02 42.34 2kvb s PHE 583 CO -0.02 -0.08 1.53 1.37 -0.10 0.00 0.00 175.22 177.92 2kvb h LEU 584 N 5.41 0.00 -2.03 -0.37 -0.00 -2.02 -2.80 115.31 113.50 2kvb h LEU 584 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 2kvb h LEU 584 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.87 2kvb h LEU 584 CO 0.46 0.68 0.00 -1.20 -0.00 0.00 0.00 178.44 178.39 2kvb n SER 585 N -3.62 3.02 -4.39 0.17 7.64 -1.26 -4.81 113.62 110.36 2kvb n SER 585 Ca -0.01 -2.30 -0.33 0.00 1.01 0.00 0.00 58.87 57.24 2kvb n SER 585 Cb 0.69 -0.47 -0.14 0.00 -1.01 0.00 0.00 64.21 63.28 2kvb n SER 585 CO 0.00 0.00 0.00 -0.60 -3.01 0.00 0.00 175.04 171.43 2kvb s ARG 586 N -1.76 3.18 -0.12 1.43 3.52 -1.06 -1.20 118.95 122.94 2kvb s ARG 586 Ca 0.29 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 55.22 2kvb s ARG 586 Cb 0.19 -2.57 -0.01 0.00 -1.56 0.00 0.00 34.95 31.01 2kvb s ARG 586 CO 0.13 0.31 -0.19 0.99 -0.81 0.00 0.00 175.30 175.73 2kvb s THR 587 N 0.10 2.52 -0.23 4.11 2.01 0.19 -4.82 115.64 119.51 2kvb s THR 587 Ca -0.06 -0.85 -0.08 0.00 0.31 0.00 0.00 61.69 61.02 2kvb s THR 587 Cb -0.15 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.31 2kvb s THR 587 CO 0.05 0.54 0.08 -0.70 -0.69 0.00 0.00 174.62 173.89 2kvb s GLU 588 N 0.43 3.76 0.00 4.92 2.12 -1.26 0.72 118.70 129.39 2kvb s GLU 588 Ca -0.13 -0.43 0.00 0.00 0.36 0.00 0.00 54.97 54.76 2kvb s GLU 588 Cb -0.17 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 30.90 2kvb s GLU 588 CO 0.06 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.12 2kvb n GLY 589 N 4.57 0.64 0.00 -1.50 0.00 0.23 -4.96 105.19 104.17 2kvb n GLY 589 Ca -0.16 -1.76 0.00 0.00 0.00 0.00 0.00 46.02 44.10 2kvb n GLY 589 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvb n ASP 590 N 0.00 1.78 -4.53 1.61 8.00 0.22 -4.41 116.55 119.22 2kvb n ASP 590 Ca 0.00 -0.15 -0.34 0.00 0.71 0.00 0.00 54.79 55.01 2kvb n ASP 590 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 2kvb n ASP 590 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2kvb n ASN 591 N -0.18 1.31 -0.21 -2.24 5.15 -1.26 -2.54 115.26 115.29 2kvb n ASN 591 Ca 0.00 -0.41 -0.03 0.00 -0.60 0.00 0.00 54.58 53.54 2kvb n ASN 591 Cb 0.00 -1.30 -0.01 0.00 -0.53 0.00 0.00 39.78 37.94 2kvb n ASN 591 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kvb s THR 593 N -1.42 0.06 -0.11 0.00 -4.23 -1.05 -2.89 115.64 105.99 2kvb s THR 593 Ca 0.00 -0.43 -0.01 0.00 -1.18 0.00 0.00 61.69 60.08 2kvb s THR 593 Cb 0.00 -0.13 0.03 0.00 1.34 0.00 0.00 72.50 73.74 2kvb s THR 593 CO 0.00 -0.23 -0.06 0.54 -0.54 0.00 0.00 174.62 174.33 2kvb s VAL 594 N -0.68 0.93 -0.21 2.29 0.11 0.21 -0.61 120.40 122.44 2kvb s VAL 594 Ca -0.07 -0.26 -0.06 0.00 -2.93 0.00 0.00 61.98 58.66 2kvb s VAL 594 Cb -0.05 -0.99 -0.03 0.00 -1.53 0.00 0.00 36.38 33.79 2kvb s VAL 594 CO -0.00 0.33 0.02 0.12 -3.33 0.00 0.00 175.10 172.23 2kvb s PHE 595 N 1.74 3.07 -0.27 1.54 5.36 -1.26 0.01 117.98 128.17 2kvb s PHE 595 Ca 0.05 -0.41 -0.08 0.00 -0.96 0.00 0.00 56.93 55.53 2kvb s PHE 595 Cb -0.13 -2.12 -0.02 0.00 -0.34 0.00 0.00 43.02 40.41 2kvb s PHE 595 CO -0.08 -0.24 0.10 0.34 -1.46 0.00 0.00 175.22 173.88 2kvb s ASP 596 N 1.09 5.27 0.27 6.13 -1.08 -0.87 -4.81 116.67 122.67 2kvb s ASP 596 Ca 0.03 -0.34 0.05 0.00 -0.52 0.00 0.00 52.55 51.77 2kvb s ASP 596 Cb -0.14 -1.94 0.35 0.00 -1.46 0.00 0.00 42.92 39.73 2kvb s ASP 596 CO 0.02 -0.09 1.64 0.77 0.52 0.00 0.00 175.17 178.02 2kvb h SER 597 N 8.27 0.30 0.77 -0.34 4.64 -1.96 0.59 113.55 125.82 2kvb h SER 597 Ca -0.36 -0.14 -0.25 0.00 -0.47 0.00 0.00 61.79 60.57 2kvb h SER 597 Cb 1.16 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 2kvb h SER 597 CO 0.59 0.73 -1.15 0.06 -0.87 0.00 0.00 176.83 176.19 2kvb h GLN 598 N 0.22 0.16 0.00 4.77 3.07 -1.96 -3.18 115.11 118.20 2kvb h GLN 598 Ca 0.01 -0.28 -0.06 0.00 0.09 0.00 0.00 58.65 58.42 2kvb h GLN 598 Cb 0.93 0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.59 2kvb h GLN 598 CO 0.08 1.13 -0.72 0.00 0.09 0.00 0.00 178.83 179.40 2kvb h ALA 599 N 0.75 0.70 -0.24 0.06 0.00 -1.98 -3.47 119.26 115.06 2kvb h ALA 599 Ca -0.09 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2kvb h ALA 599 Cb 1.89 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.68 2kvb h ALA 599 CO 0.17 0.31 -0.09 0.41 0.00 0.00 0.00 179.25 180.05 2kvb n GLY 600 N 1.21 0.76 3.13 0.00 0.00 0.19 -5.01 105.19 105.46 2kvb n GLY 600 Ca -0.01 -0.53 -0.20 0.00 0.00 0.00 0.00 46.02 45.29 2kvb n GLY 600 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 601 N -2.09 1.17 -0.14 1.61 0.08 -1.15 -5.00 117.98 112.45 2kvb s PHE 601 Ca 0.00 -0.33 -0.03 0.00 0.12 0.00 0.00 56.93 56.69 2kvb s PHE 601 Cb 0.00 -0.70 -0.03 0.00 -0.57 0.00 0.00 43.02 41.72 2kvb s PHE 601 CO 0.00 0.02 -0.05 0.45 -0.10 0.00 0.00 175.22 175.55 2kvb s SER 602 N -1.00 4.75 -0.17 1.36 0.15 -1.26 -2.04 113.70 115.48 2kvb s SER 602 Ca 0.02 -0.12 0.01 0.00 0.70 0.00 0.00 55.95 56.56 2kvb s SER 602 Cb -0.07 -1.70 0.02 0.00 -1.71 0.00 0.00 66.02 62.55 2kvb s SER 602 CO 0.01 0.20 -0.20 -0.36 1.20 0.00 0.00 173.24 174.08 2kvb s PHE 603 N 0.20 2.74 -0.29 3.44 0.40 0.10 -4.98 117.98 119.60 2kvb s PHE 603 Ca -0.03 -1.52 -0.07 0.00 -0.60 0.00 0.00 56.93 54.71 2kvb s PHE 603 Cb -0.14 -1.89 0.00 0.00 0.51 0.00 0.00 43.02 41.51 2kvb s PHE 603 CO 0.03 -0.73 0.09 0.34 0.70 0.00 0.00 175.22 175.65 2kvb s ASP 604 N 1.12 5.19 -0.24 1.36 -1.08 -1.26 -0.62 116.67 121.13 2kvb s ASP 604 Ca 0.01 -0.60 0.13 0.00 -0.52 0.00 0.00 52.55 51.57 2kvb s ASP 604 Cb -0.14 -1.91 0.61 0.00 -1.46 0.00 0.00 42.92 40.03 2kvb s ASP 604 CO -0.09 -0.17 1.56 0.18 0.52 0.00 0.00 175.17 177.18 2kvb n LEU 605 N 4.90 4.68 -0.19 -1.34 4.77 -1.14 -4.68 117.00 124.00 2kvb n LEU 605 Ca -0.15 -3.19 -0.06 0.00 -0.03 0.00 0.00 56.01 52.59 2kvb n LEU 605 Cb 0.49 -0.63 0.11 0.00 -2.33 0.00 0.00 43.42 41.06 2kvb n LEU 605 CO 0.32 0.80 0.93 0.71 -1.33 0.00 0.00 177.39 178.82 2kvb h THR 606 N 2.10 1.25 0.00 -5.08 1.35 -1.94 -1.79 112.91 108.80 2kvb h THR 606 Ca 0.11 -0.96 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 2kvb h THR 606 Cb 1.77 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 2kvb h THR 606 CO 0.41 0.36 0.06 -0.65 -0.25 0.00 0.00 175.52 175.45 2kvb h PRO 607 N 0.93 0.00 0.00 4.72 0.11 -1.97 -0.92 132.00 134.87 2kvb h PRO 607 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2kvb h PRO 607 Cb 0.38 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.49 2kvb h PRO 607 CO 0.01 0.00 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.50 2kvb h LEU 608 N 0.00 0.00 -9.44 2.35 4.07 -1.66 -3.45 115.31 107.18 2kvb h LEU 608 Ca 0.00 -0.04 -0.54 0.00 0.08 0.00 0.00 57.88 57.38 2kvb h LEU 608 Cb 0.11 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 41.85 2kvb h LEU 608 CO 0.00 0.02 0.57 -0.89 -1.08 0.00 0.00 178.44 177.06 2kvb s THR 609 N -3.18 4.14 0.01 0.22 2.01 -0.35 -4.49 115.64 114.01 2kvb s THR 609 Ca 0.07 1.53 0.05 0.00 0.31 0.00 0.00 61.69 63.65 2kvb s THR 609 Cb 0.10 -3.98 -0.01 0.00 0.01 0.00 0.00 72.50 68.61 2kvb s THR 609 CO 0.66 0.09 -0.14 -0.54 -0.69 0.00 0.00 174.62 174.01 2kvb s LYS 610 N 1.29 1.06 0.21 4.92 1.02 -1.26 -5.00 119.74 121.98 2kvb s LYS 610 Ca 0.58 -0.60 -0.01 0.00 0.02 0.00 0.00 55.97 55.96 2kvb s LYS 610 Cb -0.28 -1.05 0.17 0.00 -0.52 0.00 0.00 37.83 36.15 2kvb s LYS 610 CO 0.28 0.28 1.54 -0.22 -0.92 0.00 0.00 175.35 176.30 2kvb h LYS 611 N 5.47 0.49 0.00 1.68 3.64 -1.95 -2.32 116.57 123.59 2kvb h LYS 611 Ca -0.36 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 58.72 2kvb h LYS 611 Cb 1.17 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2kvb h LYS 611 CO 0.47 0.90 0.00 -0.44 -2.27 0.00 0.00 179.45 178.11 2kvb h ASP 612 N 0.38 0.00 -3.18 4.20 3.32 -1.95 -3.38 116.42 115.82 2kvb h ASP 612 Ca 0.01 0.00 0.30 0.00 0.02 0.00 0.00 57.03 57.36 2kvb h ASP 612 Cb 1.05 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.52 2kvb h ASP 612 CO 0.10 0.00 -0.39 0.00 -1.72 0.00 0.00 179.24 177.22 2kvb n ALA 613 N -2.04 -2.82 -3.38 3.45 0.00 -0.87 -4.81 120.51 110.03 2kvb n ALA 613 Ca 0.02 0.34 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 2kvb n ALA 613 Cb 0.35 -0.98 -0.14 0.00 0.00 0.00 0.00 19.45 18.68 2kvb n ALA 613 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2kvb s TYR 614 N -1.81 2.88 -0.23 0.00 1.51 -0.11 -4.91 117.35 114.67 2kvb s TYR 614 Ca 0.00 -0.88 -0.08 0.00 -1.01 0.00 0.00 57.07 55.11 2kvb s TYR 614 Cb 0.00 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.84 2kvb s TYR 614 CO 0.00 -0.42 0.08 0.21 -1.11 0.00 0.00 175.55 174.31 2kvb s LYS 615 N 0.96 3.78 -0.10 -0.62 2.20 -1.26 -0.99 119.74 123.71 2kvb s LYS 615 Ca -0.01 -0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.12 2kvb s LYS 615 Cb -0.15 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.81 2kvb s LYS 615 CO -0.01 -0.05 0.11 0.08 -0.36 0.00 0.00 175.35 175.12 2kvb s VAL 616 N 1.26 5.17 0.09 4.02 1.01 0.16 -4.92 120.40 127.20 2kvb s VAL 616 Ca 0.05 0.04 0.08 0.00 0.00 0.00 0.00 61.98 62.15 2kvb s VAL 616 Cb -0.15 -3.25 -0.03 0.00 0.00 0.00 0.00 36.38 32.95 2kvb s VAL 616 CO 0.04 0.58 -0.22 -1.61 0.00 0.00 0.00 175.10 173.89 2kvb s GLU 617 N -1.10 1.21 0.00 2.72 2.02 -1.26 0.30 118.70 122.60 2kvb s GLU 617 Ca 0.16 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 54.01 2kvb s GLU 617 Cb -0.12 -1.47 0.00 0.00 0.10 0.00 0.00 34.13 32.64 2kvb s GLU 617 CO 0.05 0.35 0.00 0.25 0.02 0.00 0.00 175.26 175.93 2kvb n THR 618 N 1.23 0.00 -0.15 3.63 -2.24 0.78 -4.95 114.28 112.58 2kvb n THR 618 Ca -0.19 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.51 2kvb n THR 618 Cb 0.53 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 2kvb n THR 618 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2kvb h ASP 619 N 0.00 0.60 0.00 3.42 3.32 -2.04 -3.36 116.42 118.35 2kvb h ASP 619 Ca 0.00 -0.15 0.00 0.00 0.02 0.00 0.00 57.03 56.90 2kvb h ASP 619 Cb 0.00 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.40 2kvb h ASP 619 CO 0.00 0.59 0.00 0.29 -1.72 0.00 0.00 179.24 178.40 2kvb n LYS 620 N -4.62 3.11 -4.29 3.56 4.01 -1.26 -5.01 118.16 113.65 2kvb n LYS 620 Ca 0.01 -0.13 -0.23 0.00 -0.51 0.00 0.00 58.31 57.45 2kvb n LYS 620 Cb 0.14 -0.54 -0.12 0.00 -0.51 0.00 0.00 35.03 33.99 2kvb n LYS 620 CO 0.00 0.00 0.00 0.71 -1.11 0.00 0.00 177.40 177.00 2kvb s TYR 621 N -0.48 1.77 -0.00 2.13 1.51 -1.26 -1.13 117.35 119.88 2kvb s TYR 621 Ca 0.00 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.67 2kvb s TYR 621 Cb 0.00 -0.95 -0.01 0.00 -0.11 0.00 0.00 41.96 40.89 2kvb s TYR 621 CO 0.00 0.22 -0.13 -1.83 -1.11 0.00 0.00 175.55 172.71 2kvb s GLU 622 N -2.09 1.00 -0.15 -0.62 -1.05 -0.62 -0.16 118.70 115.01 2kvb s GLU 622 Ca 0.08 -0.50 0.01 0.00 -0.15 0.00 0.00 54.97 54.41 2kvb s GLU 622 Cb -0.09 -0.97 0.00 0.00 -0.44 0.00 0.00 34.13 32.64 2kvb s GLU 622 CO 0.05 0.26 -0.18 -0.06 0.95 0.00 0.00 175.26 176.28 2kvb s PHE 623 N -0.39 2.74 -0.21 4.83 0.40 0.15 -1.04 117.98 124.46 2kvb s PHE 623 Ca 0.04 -1.18 -0.06 0.00 -0.60 0.00 0.00 56.93 55.13 2kvb s PHE 623 Cb -0.05 -1.86 -0.03 0.00 0.51 0.00 0.00 43.02 41.59 2kvb s PHE 623 CO -0.00 -0.54 0.02 -1.01 0.70 0.00 0.00 175.22 174.38 2kvb s HIS 624 N 0.85 3.07 0.06 0.36 3.76 0.16 0.37 115.29 123.91 2kvb s HIS 624 Ca -0.05 -0.40 0.02 0.00 -0.15 0.00 0.00 55.06 54.47 2kvb s HIS 624 Cb -0.15 -2.11 -0.03 0.00 1.11 0.00 0.00 32.58 31.39 2kvb s HIS 624 CO -0.01 -0.23 -0.07 0.96 -0.85 0.00 0.00 174.74 174.53 2kvb s ILE 625 N 1.07 0.60 0.10 0.60 -4.36 -0.16 -0.10 121.20 118.95 2kvb s ILE 625 Ca 0.03 -1.38 0.05 0.00 -0.26 0.00 0.00 60.65 59.08 2kvb s ILE 625 Cb -0.14 -0.99 -0.04 0.00 1.25 0.00 0.00 42.46 42.54 2kvb s ILE 625 CO 0.02 -0.56 -0.12 0.21 0.24 0.00 0.00 174.94 174.73 2kvb s ASN 626 N -2.10 1.70 -0.29 4.36 2.47 -1.07 -0.94 114.94 119.07 2kvb s ASN 626 Ca -0.02 -0.77 -0.25 0.00 0.42 0.00 0.00 52.86 52.24 2kvb s ASN 626 Cb -0.05 -0.03 0.00 0.00 -1.45 0.00 0.00 41.25 39.72 2kvb s ASN 626 CO -0.01 -0.18 0.86 -0.69 -3.72 0.00 0.00 177.10 173.35 2kvb s VAL 627 N -2.09 4.75 0.48 -5.21 1.01 -1.26 -4.81 120.40 113.27 2kvb s VAL 627 Ca 0.05 1.39 0.00 0.00 0.00 0.00 0.00 61.98 63.42 2kvb s VAL 627 Cb -0.05 -4.19 0.00 0.00 0.00 0.00 0.00 36.38 32.14 2kvb s VAL 627 CO 0.02 -0.25 0.00 0.00 0.00 0.00 0.00 175.10 174.86 2kvb n GLY 629 N -1.79 0.48 4.01 0.00 0.00 0.76 -4.84 105.19 103.81 2kvb n GLY 629 Ca 0.00 -0.90 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 2kvb n GLY 629 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kvb s PRO 630 N 0.00 2.65 -0.17 1.61 0.04 -1.26 -2.70 135.00 135.17 2kvb s PRO 630 Ca 0.00 -1.29 -0.06 0.00 0.04 0.00 0.00 61.00 59.69 2kvb s PRO 630 Cb 0.00 -2.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2kvb s PRO 630 CO 0.00 -0.47 0.03 0.54 0.04 0.00 0.00 177.00 177.14 2kvb s VAL 631 N -2.48 4.50 -1.13 -0.36 0.11 0.12 -4.72 120.40 116.44 2kvb s VAL 631 Ca 0.57 -0.14 -0.09 0.00 -2.93 0.00 0.00 61.98 59.40 2kvb s VAL 631 Cb -0.09 -3.01 0.27 0.00 -1.53 0.00 0.00 36.38 32.02 2kvb s VAL 631 CO 0.35 0.47 1.22 -0.24 -3.33 0.00 0.00 175.10 173.57 2kvb n SER 632 N 3.55 5.62 -4.12 3.54 2.88 -1.26 -4.65 113.62 119.18 2kvb n SER 632 Ca -0.17 -3.09 -0.21 0.00 -1.33 0.00 0.00 58.87 54.07 2kvb n SER 632 Cb 0.52 -1.39 -0.14 0.00 -0.75 0.00 0.00 64.21 62.45 2kvb n SER 632 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kvb s VAL 633 N -1.20 1.10 -0.56 2.46 0.11 -1.26 -4.71 120.40 116.34 2kvb s VAL 633 Ca 0.32 -0.75 -0.06 0.00 -2.93 0.00 0.00 61.98 58.56 2kvb s VAL 633 Cb -0.07 -0.95 -0.17 0.00 -1.53 0.00 0.00 36.38 33.67 2kvb s VAL 633 CO -0.04 0.19 2.94 0.61 -3.33 0.00 0.00 175.10 175.47 2kvb n GLY 634 N 2.42 3.16 0.64 6.54 0.00 -1.26 -2.61 105.19 114.08 2kvb n GLY 634 Ca -0.16 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2kvb n GLY 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb n ALA 635 N 3.08 2.35 -2.67 4.61 0.00 -1.26 -5.09 120.51 121.52 2kvb n ALA 635 Ca 0.49 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.73 2kvb n ALA 635 Cb 0.54 0.07 -0.12 0.00 0.00 0.00 0.00 19.45 19.94 2kvb n ALA 635 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kvb n PRO 637 N 1.28 0.32 0.04 0.00 -0.04 -1.26 -4.46 135.00 130.89 2kvb n PRO 637 Ca -0.21 0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.45 2kvb n PRO 637 Cb 0.54 -2.28 0.11 0.00 -0.04 0.00 0.00 33.50 31.83 2kvb n PRO 637 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2kvb n PRO 638 N -2.41 0.03 0.00 0.54 -0.04 -1.26 -0.43 135.00 131.42 2kvb n PRO 638 Ca 0.13 0.42 0.14 0.00 -0.04 0.00 0.00 63.50 64.15 2kvb n PRO 638 Cb 0.50 -1.76 0.65 0.00 -0.04 0.00 0.00 33.50 32.85 2kvb n PRO 638 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kvb n ASP 639 N -1.56 0.04 -4.85 3.54 9.92 -1.26 -4.60 116.55 117.77 2kvb n ASP 639 Ca -0.00 0.21 -0.37 0.00 -0.53 0.00 0.00 54.79 54.10 2kvb n ASP 639 Cb 0.17 -0.38 -0.06 0.00 -0.64 0.00 0.00 41.12 40.21 2kvb n ASP 639 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 2kvb s SER 640 N -2.83 6.40 -0.06 -2.24 0.01 0.42 0.14 113.70 115.54 2kvb s SER 640 Ca 0.19 0.48 0.19 0.00 1.31 0.00 0.00 55.95 58.12 2kvb s SER 640 Cb 0.19 -2.09 -0.29 0.00 0.21 0.00 0.00 66.02 64.04 2kvb s SER 640 CO 0.51 0.37 0.35 0.61 0.41 0.00 0.00 173.24 175.49 2kvb n GLY 641 N 2.20 -0.92 2.81 3.44 0.00 0.50 0.13 105.19 113.35 2kvb n GLY 641 Ca -0.19 -0.44 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 2kvb n GLY 641 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kvb s ALA 642 N -3.17 -0.02 -0.01 4.61 0.00 -1.10 -2.61 121.76 119.44 2kvb s ALA 642 Ca -0.08 0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2kvb s ALA 642 Cb 0.11 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2kvb s ALA 642 CO 0.82 -0.20 0.02 0.00 0.00 0.00 0.00 175.76 176.40 2kvb s GLN 644 N 0.73 2.41 -0.03 0.00 -2.07 -0.79 0.36 119.66 120.27 2kvb s GLN 644 Ca -0.06 -0.80 0.02 0.00 -1.82 0.00 0.00 55.36 52.69 2kvb s GLN 644 Cb -0.09 -2.41 0.01 0.00 -1.09 0.00 0.00 33.01 29.43 2kvb s GLN 644 CO -0.02 0.58 -0.06 0.54 -1.32 0.00 0.00 175.29 175.01 2kvb s VAL 645 N -0.99 0.58 -0.19 3.63 0.11 -0.21 -0.32 120.40 123.01 2kvb s VAL 645 Ca 0.17 -0.23 -0.28 0.00 -2.93 0.00 0.00 61.98 58.71 2kvb s VAL 645 Cb -0.11 -0.54 -0.00 0.00 -1.53 0.00 0.00 36.38 34.20 2kvb s VAL 645 CO 0.07 0.20 0.96 -0.55 -3.33 0.00 0.00 175.10 172.45 2kvb s SER 646 N 0.38 7.07 0.40 3.54 0.15 0.74 -1.58 113.70 124.40 2kvb s SER 646 Ca -0.05 1.33 0.20 0.00 0.70 0.00 0.00 55.95 58.13 2kvb s SER 646 Cb -0.09 -2.51 0.81 0.00 -1.71 0.00 0.00 66.02 62.51 2kvb s SER 646 CO 0.00 -0.54 1.79 0.08 1.20 0.00 0.00 173.24 175.77 2kvb h ARG 647 N 7.37 0.00 0.05 5.44 0.11 -1.45 0.75 114.38 126.64 2kvb h ARG 647 Ca -0.25 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.73 2kvb h ARG 647 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 2kvb h ARG 647 CO 0.91 0.32 -0.48 0.77 0.10 0.00 0.00 179.97 181.58 2kvb h SER 648 N 0.00 0.16 0.52 0.08 0.02 -1.89 -3.39 113.55 109.05 2kvb h SER 648 Ca -0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2kvb h SER 648 Cb 0.80 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2kvb h SER 648 CO 0.04 1.21 -1.04 0.47 -1.14 0.00 0.00 176.83 176.37 2kvb n ASP 649 N -4.40 0.61 -1.16 3.07 8.00 -1.21 -4.95 116.55 116.51 2kvb n ASP 649 Ca -0.15 -0.10 -0.15 0.00 0.71 0.00 0.00 54.79 55.10 2kvb n ASP 649 Cb 0.63 0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 42.43 2kvb n ASP 649 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kvb n ARG 650 N -2.08 -1.25 -3.92 -1.24 3.00 0.25 -4.97 116.66 106.45 2kvb n ARG 650 Ca 0.01 1.02 -0.32 0.00 -0.01 0.00 0.00 57.85 58.56 2kvb n ARG 650 Cb 0.46 -5.25 -0.04 0.00 0.00 0.00 0.00 32.46 27.62 2kvb n ARG 650 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2kvb s LYS 651 N -3.24 3.42 0.00 5.56 1.02 -1.25 -4.84 119.74 120.40 2kvb s LYS 651 Ca 0.00 -0.40 0.07 0.00 0.02 0.00 0.00 55.97 55.66 2kvb s LYS 651 Cb 0.00 -3.05 -0.02 0.00 -0.52 0.00 0.00 37.83 34.24 2kvb s LYS 651 CO 0.00 0.64 -0.20 -1.54 -0.92 0.00 0.00 175.35 173.33 2kvb s SER 652 N -2.24 2.39 0.19 2.83 1.04 -1.26 -0.19 113.70 116.46 2kvb s SER 652 Ca 0.31 -0.41 0.10 0.00 0.48 0.00 0.00 55.95 56.43 2kvb s SER 652 Cb -0.13 -0.24 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 2kvb s SER 652 CO 0.23 0.22 -0.22 0.26 0.98 0.00 0.00 173.24 174.72 2kvb s TRP 653 N -0.58 2.11 -0.21 5.02 0.51 0.56 -4.97 118.94 121.39 2kvb s TRP 653 Ca 0.08 -0.40 -0.15 0.00 -2.12 0.00 0.00 56.10 53.51 2kvb s TRP 653 Cb -0.08 -1.04 -0.04 0.00 -0.81 0.00 0.00 33.47 31.50 2kvb s TRP 653 CO 0.00 0.44 0.37 1.21 -0.51 0.00 0.00 176.95 178.46 2kvb s ASN 654 N -2.70 6.40 -0.12 2.95 3.84 -1.26 -1.89 114.94 122.15 2kvb s ASN 654 Ca 0.19 0.46 0.15 0.00 0.21 0.00 0.00 52.86 53.87 2kvb s ASN 654 Cb -0.07 -2.21 0.50 0.00 -0.55 0.00 0.00 41.25 38.91 2kvb s ASN 654 CO 0.09 -0.06 1.41 0.18 -2.79 0.00 0.00 177.10 175.93 2kvb n LEU 655 N 4.44 3.79 0.00 3.21 4.77 0.05 -2.85 117.00 130.41 2kvb n LEU 655 Ca -0.09 -2.66 0.00 0.00 -0.03 0.00 0.00 56.01 53.23 2kvb n LEU 655 Cb 0.51 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2kvb n LEU 655 CO 0.39 0.70 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2kvb n GLY 656 N 0.01 3.57 3.72 -0.72 0.00 -1.20 -1.51 105.19 109.06 2kvb n GLY 656 Ca 0.19 -0.41 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 2kvb n GLY 656 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kvb s ARG 657 N -2.86 1.49 0.18 1.61 0.52 -1.25 -0.37 118.95 118.27 2kvb s ARG 657 Ca 0.00 1.09 -0.33 0.00 -0.52 0.00 0.00 55.73 55.96 2kvb s ARG 657 Cb 0.00 -1.82 -0.14 0.00 0.52 0.00 0.00 34.95 33.52 2kvb s ARG 657 CO 0.00 -2.15 1.57 -1.13 0.02 0.00 0.00 175.30 173.61 2kvb n SER 658 N -3.86 3.16 -3.68 0.23 3.41 0.12 -3.06 113.62 109.95 2kvb n SER 658 Ca 0.08 1.09 -0.15 0.00 -0.26 0.00 0.00 58.87 59.64 2kvb n SER 658 Cb 0.54 -1.44 -0.08 0.00 -0.26 0.00 0.00 64.21 62.96 2kvb n SER 658 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2kvb s ASN 659 N 0.86 -0.41 0.00 4.04 2.47 -1.10 -4.85 114.94 115.96 2kvb s ASN 659 Ca 0.77 0.49 0.00 0.00 0.42 0.00 0.00 52.86 54.54 2kvb s ASN 659 Cb -0.66 0.55 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 2kvb s ASN 659 CO 0.39 -0.43 0.71 0.00 -3.72 0.00 0.00 177.10 174.05 2kvb n ALA 660 N 1.54 1.99 -2.61 1.71 0.00 -1.26 -0.17 120.51 121.71 2kvb n ALA 660 Ca -0.19 -0.71 -0.43 0.00 0.00 0.00 0.00 53.44 52.11 2kvb n ALA 660 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.99 2kvb n ALA 660 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2kvb s LYS 661 N -0.48 3.80 0.38 0.00 -0.14 -1.26 -0.13 119.74 121.91 2kvb s LYS 661 Ca 0.00 0.65 -0.14 0.00 -1.36 0.00 0.00 55.97 55.12 2kvb s LYS 661 Cb 0.00 -3.85 -0.08 0.00 -1.68 0.00 0.00 37.83 32.21 2kvb s LYS 661 CO 0.00 -1.19 0.79 -0.51 -0.76 0.00 0.00 175.35 173.68 2kvb s LEU 662 N 4.06 3.92 0.13 3.17 1.43 -1.23 -4.17 118.68 125.99 2kvb s LEU 662 Ca 0.45 1.30 0.09 0.00 -1.03 0.00 0.00 54.13 54.93 2kvb s LEU 662 Cb -0.09 -4.15 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2kvb s LEU 662 CO 0.25 -0.33 -0.22 -0.44 0.23 0.00 0.00 176.35 175.85 2kvb s SER 663 N -2.67 2.77 -0.11 2.29 0.01 0.12 0.74 113.70 116.84 2kvb s SER 663 Ca 0.54 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2kvb s SER 663 Cb -0.10 -0.17 0.02 0.00 0.21 0.00 0.00 66.02 65.99 2kvb s SER 663 CO 0.24 0.06 -0.10 -0.47 0.41 0.00 0.00 173.24 173.38 2kvb s TYR 664 N -1.37 1.67 -0.07 2.43 6.14 0.22 0.09 117.35 126.46 2kvb s TYR 664 Ca 0.11 -0.83 -0.00 0.00 0.64 0.00 0.00 57.07 56.99 2kvb s TYR 664 Cb -0.09 -1.30 -0.03 0.00 0.42 0.00 0.00 41.96 40.96 2kvb s TYR 664 CO 0.05 -0.51 -0.03 -0.47 0.64 0.00 0.00 175.55 175.23 2kvb s TYR 665 N 1.44 3.04 -0.30 4.97 5.04 -0.18 0.54 117.35 131.90 2kvb s TYR 665 Ca 0.01 0.10 -0.40 0.00 -2.44 0.00 0.00 57.07 54.34 2kvb s TYR 665 Cb -0.13 -1.74 -0.15 0.00 0.35 0.00 0.00 41.96 40.29 2kvb s TYR 665 CO -0.06 0.40 1.83 -3.47 -1.34 0.00 0.00 175.55 172.91 2kvb n ASP 666 N 2.10 2.32 0.00 4.32 -0.08 -0.34 -0.63 116.55 124.25 2kvb n ASP 666 Ca -0.18 0.97 0.00 0.00 -1.51 0.00 0.00 54.79 54.07 2kvb n ASP 666 Cb 0.53 -1.15 0.00 0.00 2.34 0.00 0.00 41.12 42.84 2kvb n ASP 666 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kvb n GLY 667 N 4.66 3.16 2.95 0.27 0.00 -1.26 -5.03 105.19 109.94 2kvb n GLY 667 Ca 0.30 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.35 2kvb n GLY 667 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2kvb s MET 668 N 0.00 0.20 0.22 1.61 -1.94 0.20 -5.02 119.30 114.56 2kvb s MET 668 Ca 0.00 -0.34 -0.30 0.00 -1.71 0.00 0.00 55.69 53.35 2kvb s MET 668 Cb 0.00 0.07 -0.08 0.00 2.01 0.00 0.00 34.83 36.83 2kvb s MET 668 CO 0.00 -0.03 0.93 0.42 -0.01 0.00 0.00 175.02 176.33 2kvb s ILE 669 N -0.85 4.15 0.05 2.53 1.09 -1.22 -1.01 121.20 125.94 2kvb s ILE 669 Ca -0.09 2.06 0.04 0.00 -1.10 0.00 0.00 60.65 61.56 2kvb s ILE 669 Cb -0.06 -4.32 -0.03 0.00 -1.06 0.00 0.00 42.46 37.00 2kvb s ILE 669 CO -0.00 0.48 -0.13 -1.10 -0.10 0.00 0.00 174.94 174.09 2kvb s GLN 670 N -1.01 0.77 -0.15 2.79 -0.21 0.11 0.23 119.66 122.20 2kvb s GLN 670 Ca 0.41 -0.84 0.02 0.00 0.02 0.00 0.00 55.36 54.98 2kvb s GLN 670 Cb -0.25 -0.73 0.01 0.00 1.00 0.00 0.00 33.01 33.03 2kvb s GLN 670 CO 0.31 0.17 -0.20 -1.17 -2.12 0.00 0.00 175.29 172.28 2kvb s LEU 671 N -1.50 2.20 -0.17 2.90 0.20 0.36 0.13 118.68 122.81 2kvb s LEU 671 Ca -0.03 -0.57 -0.04 0.00 0.69 0.00 0.00 54.13 54.18 2kvb s LEU 671 Cb -0.09 -1.48 -0.02 0.00 -0.43 0.00 0.00 46.19 44.17 2kvb s LEU 671 CO 0.02 0.07 -0.04 -0.89 -0.29 0.00 0.00 176.35 175.22 2kvb s THR 672 N 0.86 3.73 0.58 3.68 2.01 -1.26 -0.93 115.64 124.30 2kvb s THR 672 Ca -0.06 -0.41 0.09 0.00 0.31 0.00 0.00 61.69 61.63 2kvb s THR 672 Cb -0.15 -2.65 0.08 0.00 0.01 0.00 0.00 72.50 69.79 2kvb s THR 672 CO -0.02 0.47 0.72 -0.31 -0.69 0.00 0.00 174.62 174.79 2kvb s TYR 673 N 0.66 1.36 0.95 4.92 2.02 -0.55 -4.78 117.35 121.94 2kvb s TYR 673 Ca -0.02 -0.77 -0.15 0.00 -0.37 0.00 0.00 57.07 55.75 2kvb s TYR 673 Cb -0.14 -2.13 0.20 0.00 -0.40 0.00 0.00 41.96 39.48 2kvb s TYR 673 CO 0.02 -1.05 1.31 1.03 -1.57 0.00 0.00 175.55 175.29 2kvb s ARG 674 N -4.60 0.68 0.32 -0.62 1.81 -1.17 -4.62 118.95 110.75 2kvb s ARG 674 Ca 0.56 -0.46 0.05 0.00 -1.72 0.00 0.00 55.73 54.16 2kvb s ARG 674 Cb -0.05 -1.87 0.70 0.00 -0.45 0.00 0.00 34.95 33.28 2kvb s ARG 674 CO 0.35 -2.37 1.85 0.38 -0.68 0.00 0.00 175.30 174.83 2kvb h ASP 675 N -1.59 0.78 0.00 0.23 2.03 -1.79 -3.33 116.42 112.76 2kvb h ASP 675 Ca -0.44 0.05 0.00 0.00 -0.73 0.00 0.00 57.03 55.91 2kvb h ASP 675 Cb 1.23 -0.11 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 2kvb h ASP 675 CO 0.38 0.40 0.00 0.61 -1.03 0.00 0.00 179.24 179.59 2kvb n GLY 676 N -1.39 2.50 3.56 7.15 0.00 -1.26 -1.95 105.19 113.80 2kvb n GLY 676 Ca 0.18 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 45.37 2kvb n GLY 676 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kvb s THR 677 N 0.00 5.25 -0.30 2.61 2.01 -1.13 -4.84 115.64 119.24 2kvb s THR 677 Ca 0.00 0.04 -0.29 0.00 0.31 0.00 0.00 61.69 61.75 2kvb s THR 677 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.81 2kvb s THR 677 CO 0.00 0.05 1.45 -2.16 -0.69 0.00 0.00 174.62 173.27 2kvb s PRO 678 N 1.85 3.78 0.00 4.92 0.04 -1.26 -2.98 135.00 141.35 2kvb s PRO 678 Ca 0.09 1.32 0.00 0.00 0.04 0.00 0.00 61.00 62.45 2kvb s PRO 678 Cb -0.17 -3.97 0.00 0.00 0.04 0.00 0.00 34.50 30.40 2kvb s PRO 678 CO 0.11 -1.31 0.00 0.66 0.04 0.00 0.00 177.00 176.50 2kvb n TYR 679 N 8.27 0.00 0.00 0.56 4.02 0.19 -4.22 117.16 125.99 2kvb n TYR 679 Ca 0.17 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.06 2kvb n TYR 679 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.78 2kvb n TYR 679 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 2kvb n ASN 680 N 0.06 0.00 -4.74 7.72 2.04 -1.26 -5.05 115.26 114.03 2kvb n ASN 680 Ca 0.00 0.00 -0.26 0.00 -0.44 0.00 0.00 54.58 53.88 2kvb n ASN 680 Cb 0.00 0.00 -0.07 0.00 -2.53 0.00 0.00 39.78 37.18 2kvb n ASN 680 CO 0.00 0.00 0.00 0.54 -0.44 0.00 0.00 177.26 177.36 2kvb s ASN 681 N 0.00 4.35 0.50 0.53 2.20 -1.26 -5.02 114.94 116.23 2kvb s ASN 681 Ca 0.00 -1.18 0.15 0.00 -0.94 0.00 0.00 52.86 50.90 2kvb s ASN 681 Cb 0.00 -0.32 1.18 0.00 -2.00 0.00 0.00 41.25 40.12 2kvb s ASN 681 CO 0.00 -0.60 2.10 -0.08 -2.94 0.00 0.00 177.10 175.57 2kvb h GLU 682 N 1.41 0.00 0.00 3.55 4.81 -2.02 -1.82 114.58 120.50 2kvb h GLU 682 Ca -0.43 -0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 58.68 2kvb h GLU 682 Cb 1.26 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2kvb h GLU 682 CO 0.71 0.06 -0.61 0.87 -0.73 0.00 0.00 179.01 179.31 2kvb h LYS 683 N 0.00 0.00 -5.32 1.92 1.57 -1.98 -3.48 116.57 109.27 2kvb h LYS 683 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2kvb h LYS 683 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2kvb h LYS 683 CO 0.01 0.61 -0.84 0.54 -0.57 0.00 0.00 179.45 179.19 2kvb n ARG 684 N -3.43 -2.89 -3.72 3.15 1.74 -0.69 -5.00 116.66 105.83 2kvb n ARG 684 Ca 0.00 2.41 -0.37 0.00 -0.77 0.00 0.00 57.85 59.12 2kvb n ARG 684 Cb 0.70 -5.09 -0.12 0.00 -1.02 0.00 0.00 32.46 26.93 2kvb n ARG 684 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2kvb s THR 685 N -1.91 4.37 0.26 0.55 2.01 -1.26 -4.94 115.64 114.71 2kvb s THR 685 Ca 0.10 -0.30 -0.30 0.00 0.31 0.00 0.00 61.69 61.49 2kvb s THR 685 Cb -0.02 -3.12 -0.11 0.00 0.01 0.00 0.00 72.50 69.25 2kvb s THR 685 CO 0.74 0.23 1.58 -2.16 -0.69 0.00 0.00 174.62 174.31 2kvb s PRO 686 N 1.60 4.16 -0.20 4.92 0.04 -1.26 -0.63 135.00 143.64 2kvb s PRO 686 Ca 0.05 2.50 -0.20 0.00 0.04 0.00 0.00 61.00 63.40 2kvb s PRO 686 Cb -0.16 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.29 2kvb s PRO 686 CO 0.04 -0.60 0.57 1.03 0.04 0.00 0.00 177.00 178.08 2kvb s ARG 687 N -0.05 4.21 0.24 4.56 0.52 -0.82 -4.81 118.95 122.80 2kvb s ARG 687 Ca 0.65 0.52 0.06 0.00 -0.52 0.00 0.00 55.73 56.43 2kvb s ARG 687 Cb -0.46 -3.57 -0.05 0.00 0.52 0.00 0.00 34.95 31.39 2kvb s ARG 687 CO 0.43 -0.18 -0.05 0.00 0.02 0.00 0.00 175.30 175.51 2kvb s ALA 688 N 1.74 2.06 -0.08 2.13 0.00 -1.22 -3.22 121.76 123.17 2kvb s ALA 688 Ca 0.26 -1.80 0.05 0.00 0.00 0.00 0.00 51.96 50.48 2kvb s ALA 688 Cb -0.16 0.24 -0.01 0.00 0.00 0.00 0.00 23.12 23.20 2kvb s ALA 688 CO 0.10 -0.12 -0.25 0.99 0.00 0.00 0.00 175.76 176.49 2kvb s THR 689 N -3.17 2.06 -0.18 0.00 2.01 -0.57 0.40 115.64 116.19 2kvb s THR 689 Ca 0.27 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.23 2kvb s THR 689 Cb 0.04 -1.76 0.04 0.00 0.01 0.00 0.00 72.50 70.83 2kvb s THR 689 CO 0.09 0.57 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.29 2kvb s LEU 690 N 0.07 1.95 -0.25 4.42 1.98 0.13 -1.48 118.68 125.50 2kvb s LEU 690 Ca -0.11 -0.77 -0.09 0.00 -2.89 0.00 0.00 54.13 50.27 2kvb s LEU 690 Cb -0.16 -1.08 -0.04 0.00 0.66 0.00 0.00 46.19 45.57 2kvb s LEU 690 CO 0.06 -0.16 0.13 -0.63 -1.89 0.00 0.00 176.35 173.86 2kvb s ILE 691 N 1.51 4.94 -0.30 6.68 1.01 -0.10 -1.45 121.20 133.48 2kvb s ILE 691 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 60.65 60.58 2kvb s ILE 691 Cb -0.16 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 2kvb s ILE 691 CO -0.08 0.33 0.18 -0.89 0.00 0.00 0.00 174.94 174.47 2kvb s THR 692 N 1.37 4.98 -0.15 2.92 2.01 0.15 -0.49 115.64 126.43 2kvb s THR 692 Ca 0.06 -0.13 -0.14 0.00 0.31 0.00 0.00 61.69 61.80 2kvb s THR 692 Cb -0.15 -3.45 -0.05 0.00 0.01 0.00 0.00 72.50 68.86 2kvb s THR 692 CO 0.06 0.15 0.30 -0.36 -0.69 0.00 0.00 174.62 174.09 2kvb s PHE 693 N 1.69 3.47 0.34 4.92 0.40 0.14 -0.13 117.98 128.81 2kvb s PHE 693 Ca 0.06 0.62 0.06 0.00 -0.60 0.00 0.00 56.93 57.07 2kvb s PHE 693 Cb -0.16 -2.35 -0.07 0.00 0.51 0.00 0.00 43.02 40.95 2kvb s PHE 693 CO 0.09 0.25 -0.01 -0.51 0.70 0.00 0.00 175.22 175.74 2kvb s LEU 694 N 0.43 2.55 0.11 -0.37 1.43 0.13 -3.45 118.68 119.51 2kvb s LEU 694 Ca 0.17 -1.30 -0.30 0.00 -1.03 0.00 0.00 54.13 51.67 2kvb s LEU 694 Cb -0.13 -0.69 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 2kvb s LEU 694 CO 0.04 -0.44 0.98 0.00 0.23 0.00 0.00 176.35 177.17 2kvb s ASP 696 N 0.05 7.00 -0.14 0.00 -4.77 -1.22 -4.72 116.67 112.87 2kvb s ASP 696 Ca 0.48 1.36 -0.09 0.00 -3.30 0.00 0.00 52.55 51.00 2kvb s ASP 696 Cb -0.24 -2.40 -0.25 0.00 -1.09 0.00 0.00 42.92 38.94 2kvb s ASP 696 CO 0.30 0.01 0.33 -2.11 0.70 0.00 0.00 175.17 174.41 2kvb n ARG 697 N 0.59 0.73 -3.40 2.11 1.85 -1.26 -4.86 116.66 112.42 2kvb n ARG 697 Ca -0.02 0.32 -0.10 0.00 -1.00 0.00 0.00 57.85 57.05 2kvb n ARG 697 Cb 0.51 -1.71 -0.09 0.00 -1.05 0.00 0.00 32.46 30.12 2kvb n ARG 697 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2kvb s ASP 698 N -7.02 0.30 0.24 2.89 1.01 -1.26 -5.01 116.67 107.82 2kvb s ASP 698 Ca -0.24 0.26 0.00 0.00 0.71 0.00 0.00 52.55 53.28 2kvb s ASP 698 Cb 0.07 1.06 0.00 0.00 1.01 0.00 0.00 42.92 45.06 2kvb s ASP 698 CO 0.74 -0.29 0.00 0.00 0.21 0.00 0.00 175.17 175.82 2kvb n ALA 699 N 5.36 0.00 0.00 5.23 0.00 -1.26 -4.98 120.51 124.87 2kvb n ALA 699 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2kvb n ALA 699 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 2kvb n ALA 699 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvb n GLY 700 N -1.29 1.00 0.27 0.00 0.00 -1.26 -3.99 105.19 99.93 2kvb n GLY 700 Ca 0.00 -0.78 -0.01 0.00 0.00 0.00 0.00 46.02 45.23 2kvb n GLY 700 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2kvb h VAL 701 N 0.00 1.21 0.00 1.61 3.04 -1.98 -1.80 116.25 118.34 2kvb h VAL 701 Ca 0.00 -0.83 0.00 0.00 -1.01 0.00 0.00 66.70 64.86 2kvb h VAL 701 Cb 0.00 0.94 0.00 0.00 -2.01 0.00 0.00 31.29 30.22 2kvb h VAL 701 CO 0.00 0.29 0.00 0.61 -1.01 0.00 0.00 177.57 177.46 2kvb n GLY 702 N -0.83 3.50 2.96 3.17 0.00 -1.25 -4.64 105.19 108.10 2kvb n GLY 702 Ca 0.02 -1.62 -0.30 0.00 0.00 0.00 0.00 46.02 44.12 2kvb n GLY 702 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2kvb s PHE 703 N -1.48 2.18 0.34 1.61 0.08 -1.13 -4.97 117.98 114.62 2kvb s PHE 703 Ca 0.00 -1.44 -0.27 0.00 0.12 0.00 0.00 56.93 55.34 2kvb s PHE 703 Cb 0.00 -1.53 -0.09 0.00 -0.57 0.00 0.00 43.02 40.83 2kvb s PHE 703 CO 0.00 -0.71 1.07 -1.25 -0.10 0.00 0.00 175.22 174.23 2kvb s PRO 704 N 1.47 4.41 -0.07 0.24 0.04 -1.26 -3.26 135.00 136.57 2kvb s PRO 704 Ca -0.01 1.65 0.02 0.00 0.04 0.00 0.00 61.00 62.70 2kvb s PRO 704 Cb -0.16 -2.87 0.01 0.00 0.04 0.00 0.00 34.50 31.52 2kvb s PRO 704 CO -0.08 0.05 -0.13 -2.00 0.04 0.00 0.00 177.00 174.88 2kvb s GLU 705 N -1.96 1.76 -0.10 4.56 2.12 0.15 -4.84 118.70 120.39 2kvb s GLU 705 Ca 0.51 -0.44 -0.30 0.00 0.36 0.00 0.00 54.97 55.10 2kvb s GLU 705 Cb -0.27 -1.45 -0.02 0.00 0.26 0.00 0.00 34.13 32.66 2kvb s GLU 705 CO 0.34 0.04 1.10 -0.47 -0.54 0.00 0.00 175.26 175.74 2kvb s TYR 706 N 0.62 3.32 0.00 5.30 5.04 -1.26 0.36 117.35 130.73 2kvb s TYR 706 Ca -0.14 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 55.88 2kvb s TYR 706 Cb -0.16 -3.31 0.00 0.00 0.35 0.00 0.00 41.96 38.84 2kvb s TYR 706 CO 0.04 -0.78 0.00 1.04 -1.34 0.00 0.00 175.55 174.51 2kvb n GLN 707 N 5.33 0.00 -3.50 4.97 1.13 -0.81 -4.93 117.38 119.57 2kvb n GLN 707 Ca 0.10 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.16 2kvb n GLN 707 Cb 0.47 -0.27 -0.05 0.00 0.11 0.00 0.00 30.24 30.50 2kvb n GLN 707 CO 0.00 0.00 0.00 -1.83 -1.44 0.00 0.00 177.06 173.79 2kvb s GLU 708 N 0.00 0.31 -0.13 -1.09 -1.05 -1.25 -5.07 118.70 110.41 2kvb s GLU 708 Ca 0.00 0.65 -0.24 0.00 -0.15 0.00 0.00 54.97 55.23 2kvb s GLU 708 Cb 0.00 0.27 -0.02 0.00 -0.44 0.00 0.00 34.13 33.93 2kvb s GLU 708 CO 0.00 -0.09 0.77 -2.00 0.95 0.00 0.00 175.26 174.89 2kvb s GLU 709 N 1.94 4.35 0.00 -4.83 -6.30 -1.26 -4.22 118.70 108.38 2kvb s GLU 709 Ca -0.05 0.94 0.00 0.00 -2.50 0.00 0.00 54.97 53.36 2kvb s GLU 709 Cb -0.05 -3.53 0.00 0.00 0.00 0.00 0.00 34.13 30.56 2kvb s GLU 709 CO -0.16 -0.17 0.00 -3.47 0.02 0.00 0.00 175.26 171.48 2kvb n ASP 710 N 4.64 0.00 -0.97 -1.70 2.03 -1.26 -4.88 116.55 114.41 2kvb n ASP 710 Ca 0.02 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.32 2kvb n ASP 710 Cb 0.50 0.14 0.02 0.00 -0.72 0.00 0.00 41.12 41.06 2kvb n ASP 710 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2kvb n ASN 711 N -1.88 2.65 0.00 1.67 6.94 -1.26 -4.79 115.26 118.58 2kvb n ASN 711 Ca 0.00 -2.10 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 2kvb n ASN 711 Cb 0.00 -0.52 0.00 0.00 -2.36 0.00 0.00 39.78 36.90 2kvb n ASN 711 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 2kvb n SER 712 N 0.30 -0.20 -4.01 0.53 3.41 -1.26 -4.91 113.62 107.48 2kvb n SER 712 Ca 0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.44 2kvb n SER 712 Cb 0.52 -1.78 -0.16 0.00 -0.26 0.00 0.00 64.21 62.53 2kvb n SER 712 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kvb s THR 713 N -1.88 0.84 -0.25 6.66 2.01 -1.26 -3.39 115.64 118.36 2kvb s THR 713 Ca 0.00 -0.39 -0.29 0.00 0.31 0.00 0.00 61.69 61.33 2kvb s THR 713 Cb 0.00 -0.75 0.01 0.00 0.01 0.00 0.00 72.50 71.77 2kvb s THR 713 CO 0.00 0.26 1.03 -0.31 -0.69 0.00 0.00 174.62 174.92 2kvb s TYR 714 N 0.21 3.29 -0.22 4.92 1.51 0.16 -4.24 117.35 122.99 2kvb s TYR 714 Ca -0.04 1.38 -0.10 0.00 -1.01 0.00 0.00 57.07 57.30 2kvb s TYR 714 Cb -0.09 -3.36 -0.05 0.00 -0.11 0.00 0.00 41.96 38.35 2kvb s TYR 714 CO 0.01 -0.55 0.13 -0.80 -1.11 0.00 0.00 175.55 173.23 2kvb s ASN 715 N 1.32 6.03 -0.02 2.29 -0.87 -1.25 0.21 114.94 122.65 2kvb s ASN 715 Ca 0.44 0.12 0.04 0.00 -1.57 0.00 0.00 52.86 51.90 2kvb s ASN 715 Cb -0.14 -2.07 -0.03 0.00 -0.02 0.00 0.00 41.25 38.99 2kvb s ASN 715 CO 0.08 0.11 -0.15 -0.36 -2.57 0.00 0.00 177.10 174.21 2kvb s PHE 716 N 0.80 2.68 -0.29 2.20 0.40 -0.53 -1.92 117.98 121.32 2kvb s PHE 716 Ca 0.07 -0.18 -0.09 0.00 -0.60 0.00 0.00 56.93 56.13 2kvb s PHE 716 Cb -0.13 -1.59 -0.02 0.00 0.51 0.00 0.00 43.02 41.80 2kvb s PHE 716 CO 0.02 0.21 0.13 0.50 0.70 0.00 0.00 175.22 176.78 2kvb s ARG 717 N -0.95 3.52 -0.24 0.44 3.52 0.16 0.34 118.95 125.74 2kvb s ARG 717 Ca 0.13 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 55.13 2kvb s ARG 717 Cb -0.11 -3.50 0.02 0.00 -1.56 0.00 0.00 34.95 29.81 2kvb s ARG 717 CO 0.02 -0.31 -0.07 -0.46 -0.81 0.00 0.00 175.30 173.67 2kvb s TRP 718 N 1.63 3.04 -0.37 5.12 -0.11 0.82 0.30 118.94 129.38 2kvb s TRP 718 Ca 0.05 -1.54 -0.18 0.00 1.22 0.00 0.00 56.10 55.66 2kvb s TRP 718 Cb -0.16 -2.05 0.00 0.00 -1.50 0.00 0.00 33.47 29.76 2kvb s TRP 718 CO 0.06 -0.73 0.48 0.71 -4.62 0.00 0.00 176.95 172.86 2kvb s TYR 719 N 1.33 3.17 -0.01 5.86 1.51 -1.20 0.21 117.35 128.22 2kvb s TYR 719 Ca 0.01 0.03 -0.01 0.00 -1.01 0.00 0.00 57.07 56.08 2kvb s TYR 719 Cb -0.16 -2.91 -0.00 0.00 -0.11 0.00 0.00 41.96 38.78 2kvb s TYR 719 CO -0.05 -0.57 0.02 -0.08 -1.11 0.00 0.00 175.55 173.76 2kvb s THR 720 N 2.32 0.02 0.49 -0.71 -1.32 -0.70 -2.82 115.64 112.91 2kvb s THR 720 Ca 0.17 -0.14 0.32 0.00 -1.21 0.00 0.00 61.69 60.82 2kvb s THR 720 Cb -0.16 -0.09 0.35 0.00 -1.51 0.00 0.00 72.50 71.09 2kvb s THR 720 CO 0.14 -0.08 2.17 0.28 -2.21 0.00 0.00 174.62 174.92 2kvb h SER 721 N 5.86 0.00 0.93 8.08 0.02 -1.58 -1.14 113.55 125.71 2kvb h SER 721 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2kvb h SER 721 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 2kvb h SER 721 CO 0.48 0.06 0.00 -1.22 -1.14 0.00 0.00 176.83 175.00 2kvb n TYR 722 N -3.55 0.27 -0.31 3.45 4.02 -1.26 -2.13 117.16 117.65 2kvb n TYR 722 Ca -0.02 0.09 0.11 0.00 -0.01 0.00 0.00 57.90 58.07 2kvb n TYR 722 Cb 0.17 -0.64 0.32 0.00 -0.02 0.00 0.00 39.34 39.16 2kvb n TYR 722 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2kvb n ALA 723 N -1.59 2.50 -2.82 -0.72 0.00 -0.43 -4.82 120.51 112.63 2kvb n ALA 723 Ca 0.05 -1.29 -0.34 0.00 0.00 0.00 0.00 53.44 51.86 2kvb n ALA 723 Cb 0.30 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.69 2kvb n ALA 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50