#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1t65 s GLN 670 N 0.00 4.27 -1.32 0.00 -1.52 -1.26 -4.99 119.66 114.84 1t65 s GLN 670 Ca 0.00 0.42 -0.16 0.00 -1.95 0.00 0.00 55.36 53.67 1t65 s GLN 670 Cb 0.00 -3.49 0.02 0.00 -0.22 0.00 0.00 33.01 29.31 1t65 s GLN 670 CO 0.00 0.02 2.05 -0.35 -0.25 0.00 0.00 175.29 176.75 1t65 n PRO 671 N 4.18 2.73 -0.13 2.91 -0.04 -1.26 -4.80 135.00 138.59 1t65 n PRO 671 Ca -0.06 -2.69 -0.06 0.00 -0.04 0.00 0.00 63.50 60.64 1t65 n PRO 671 Cb 0.51 -3.33 -0.00 0.00 -0.04 0.00 0.00 33.50 30.64 1t65 n PRO 671 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1t65 h ILE 672 N 4.60 0.28 0.07 0.52 1.08 -1.99 0.54 117.51 122.61 1t65 h ILE 672 Ca 0.50 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 65.00 1t65 h ILE 672 Cb 0.72 0.28 -0.04 0.00 -3.07 0.00 0.00 36.82 34.71 1t65 h ILE 672 CO 1.75 0.00 -0.27 0.15 -0.69 0.00 0.00 178.15 179.09 1t65 h PHE 673 N -0.20 -0.73 -0.27 1.37 3.57 -2.01 -1.92 116.94 116.74 1t65 h PHE 673 Ca 0.19 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.66 1t65 h PHE 673 Cb 0.51 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1t65 h PHE 673 CO -0.51 -0.37 -0.06 -0.07 -2.23 0.00 0.00 178.31 175.06 1t65 h LEU 674 N -0.45 0.41 -0.62 0.59 3.38 -1.91 -2.13 115.31 114.57 1t65 h LEU 674 Ca 0.04 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.97 1t65 h LEU 674 Cb 0.51 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1t65 h LEU 674 CO -0.19 0.52 0.37 0.78 0.09 0.00 0.00 178.44 180.01 1t65 h ASN 675 N 0.41 0.59 -0.23 -0.43 2.35 -0.41 -1.82 115.58 116.05 1t65 h ASN 675 Ca 0.09 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1t65 h ASN 675 Cb 0.37 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1t65 h ASN 675 CO 0.02 0.41 0.05 0.58 -1.65 0.00 0.00 177.43 176.83 1t65 h VAL 676 N 0.72 1.22 -0.92 2.81 2.07 -0.85 -1.86 116.25 119.43 1t65 h VAL 676 Ca 0.26 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 67.07 1t65 h VAL 676 Cb 0.06 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.04 1t65 h VAL 676 CO -0.12 0.23 0.61 -0.07 0.02 0.00 0.00 177.57 178.24 1t65 h LEU 677 N 0.18 1.05 -0.37 2.57 3.38 -1.13 -1.64 115.31 119.36 1t65 h LEU 677 Ca 0.07 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 1t65 h LEU 677 Cb 0.30 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1t65 h LEU 677 CO 0.00 0.76 -0.32 -0.08 0.09 0.00 0.00 178.44 178.89 1t65 h GLU 678 N 1.24 0.87 -0.27 1.13 4.81 -1.28 -2.94 114.58 118.15 1t65 h GLU 678 Ca 0.34 -0.44 -0.05 0.00 -0.13 0.00 0.00 59.36 59.08 1t65 h GLU 678 Cb -0.13 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1t65 h GLU 678 CO -0.08 1.09 -0.04 0.00 -0.73 0.00 0.00 179.01 179.25 1t65 h ALA 679 N 0.77 1.44 -0.01 2.92 0.00 -0.73 -3.08 119.26 120.57 1t65 h ALA 679 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1t65 h ALA 679 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.58 1t65 h ALA 679 CO 0.08 0.39 -0.42 0.44 0.00 0.00 0.00 179.25 179.74 1t65 n ILE 680 N -4.29 0.00 -1.68 0.00 -5.35 -0.67 -4.95 119.36 102.42 1t65 n ILE 680 Ca 0.01 -0.13 -0.47 0.00 -0.27 0.00 0.00 62.75 61.88 1t65 n ILE 680 Cb 0.24 0.67 -0.04 0.00 -1.74 0.00 0.00 39.64 38.77 1t65 n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1t65 n GLU 681 N -0.68 2.25 -1.66 6.28 4.07 -1.11 -4.83 120.64 124.97 1t65 n GLU 681 Ca 0.10 0.82 -0.38 0.00 -0.06 0.00 0.00 57.16 57.64 1t65 n GLU 681 Cb 0.38 -2.66 0.06 0.00 -0.06 0.00 0.00 31.44 29.16 1t65 n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 1t65 n PRO 682 N 5.76 1.03 -0.06 5.31 -0.02 -1.26 -5.03 135.00 140.73 1t65 n PRO 682 Ca 0.21 0.40 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1t65 n PRO 682 Cb 0.30 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1t65 n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t65 n GLY 683 N 1.15 -0.28 3.75 -1.23 0.00 -1.26 -5.02 105.19 102.30 1t65 n GLY 683 Ca 0.14 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 1t65 n GLY 683 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1t65 s VAL 684 N 0.15 3.32 -0.11 1.61 0.11 -1.26 -5.04 120.40 119.17 1t65 s VAL 684 Ca 0.00 1.22 0.02 0.00 -2.93 0.00 0.00 61.98 60.29 1t65 s VAL 684 Cb 0.00 -3.78 0.01 0.00 -1.53 0.00 0.00 36.38 31.08 1t65 s VAL 684 CO 0.00 0.25 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.17 1t65 s VAL 685 N -0.67 1.56 0.12 2.04 1.01 -1.26 -5.14 120.40 118.07 1t65 s VAL 685 Ca 0.49 -0.68 0.00 0.00 0.00 0.00 0.00 61.98 61.79 1t65 s VAL 685 Cb -0.34 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.58 1t65 s VAL 685 CO 0.42 0.45 0.29 0.00 0.00 0.00 0.00 175.10 176.26 1t65 n ALA 687 N -0.17 2.16 -0.91 0.00 0.00 -1.26 -4.86 120.51 115.46 1t65 n ALA 687 Ca -0.05 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 52.97 1t65 n ALA 687 Cb 0.53 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.96 1t65 n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1t65 n GLY 688 N 1.31 0.46 3.77 0.00 0.00 -1.26 -4.56 105.19 104.91 1t65 n GLY 688 Ca -0.06 -0.78 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 1t65 n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1t65 s HIS 689 N -2.00 3.05 -0.62 1.61 5.04 -1.26 -4.99 115.29 116.11 1t65 s HIS 689 Ca 0.00 1.57 -0.19 0.00 -1.54 0.00 0.00 55.06 54.90 1t65 s HIS 689 Cb 0.00 -3.34 0.10 0.00 0.04 0.00 0.00 32.58 29.39 1t65 s HIS 689 CO 0.00 -1.23 0.75 0.34 -2.34 0.00 0.00 174.74 172.26 1t65 s ASP 690 N -1.29 6.22 0.00 9.88 -1.08 -1.26 -4.89 116.67 124.25 1t65 s ASP 690 Ca 0.59 -1.45 0.29 0.00 -0.52 0.00 0.00 52.55 51.46 1t65 s ASP 690 Cb -0.28 -2.32 1.70 0.00 -1.46 0.00 0.00 42.92 40.56 1t65 s ASP 690 CO 0.35 -1.14 2.06 0.59 0.52 0.00 0.00 175.17 177.55 1t65 n ASN 691 N 6.43 0.00 0.09 -0.34 3.02 -1.26 -3.07 115.26 120.13 1t65 n ASN 691 Ca -0.07 -0.82 0.12 0.00 -0.03 0.00 0.00 54.58 53.79 1t65 n ASN 691 Cb 0.43 -0.03 0.19 0.00 -0.61 0.00 0.00 39.78 39.76 1t65 n ASN 691 CO 0.00 0.00 0.00 0.78 -2.62 0.00 0.00 177.26 175.42 1t65 h ASN 692 N 0.00 0.00 -3.30 6.41 2.35 -2.02 -3.46 115.58 115.56 1t65 h ASN 692 Ca 0.00 -0.12 -0.56 0.00 -0.55 0.00 0.00 56.30 55.07 1t65 h ASN 692 Cb 0.03 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 1t65 h ASN 692 CO 0.00 0.06 -0.17 -1.10 -1.65 0.00 0.00 177.43 174.57 1t65 s GLN 693 N -3.19 3.79 0.57 0.81 -1.52 -1.18 -5.06 119.66 113.90 1t65 s GLN 693 Ca 0.06 0.23 -0.20 0.00 -1.95 0.00 0.00 55.36 53.50 1t65 s GLN 693 Cb 0.12 -2.80 -0.04 0.00 -0.22 0.00 0.00 33.01 30.07 1t65 s GLN 693 CO 0.70 0.42 1.28 -2.14 -0.25 0.00 0.00 175.29 175.30 1t65 s PRO 694 N -2.45 3.03 0.43 2.91 0.02 -1.26 -4.92 135.00 132.74 1t65 s PRO 694 Ca 0.42 2.02 -0.25 0.00 0.02 0.00 0.00 61.00 63.20 1t65 s PRO 694 Cb -0.13 -2.08 -0.08 0.00 0.02 0.00 0.00 34.50 32.23 1t65 s PRO 694 CO 0.21 -1.21 1.31 -0.51 -0.33 0.00 0.00 177.00 176.46 1t65 s ASP 695 N -1.29 6.17 -0.01 2.53 1.01 -1.26 -5.04 116.67 118.77 1t65 s ASP 695 Ca 0.75 2.67 -0.12 0.00 0.71 0.00 0.00 52.55 56.55 1t65 s ASP 695 Cb -0.35 -2.64 0.02 0.00 1.01 0.00 0.00 42.92 40.96 1t65 s ASP 695 CO 0.40 -0.95 0.25 -0.94 0.21 0.00 0.00 175.17 174.14 1t65 s SER 696 N -0.77 -0.12 0.13 0.27 1.04 -1.26 -5.07 113.70 107.92 1t65 s SER 696 Ca 0.59 -0.00 -0.21 0.00 0.48 0.00 0.00 55.95 56.81 1t65 s SER 696 Cb -0.38 0.28 -0.02 0.00 0.10 0.00 0.00 66.02 66.01 1t65 s SER 696 CO 0.49 -0.41 1.69 0.15 0.98 0.00 0.00 173.24 176.13 1t65 h PHE 697 N 4.04 -0.21 -0.43 5.02 3.57 -1.97 -1.58 116.94 125.39 1t65 h PHE 697 Ca -0.30 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.26 1t65 h PHE 697 Cb 1.18 0.12 -0.04 0.00 2.79 0.00 0.00 35.95 40.01 1t65 h PHE 697 CO 0.55 -0.14 0.19 0.00 -2.23 0.00 0.00 178.31 176.68 1t65 h ALA 698 N 1.10 0.53 -0.35 2.41 0.00 -1.88 -1.47 119.26 119.59 1t65 h ALA 698 Ca 0.10 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.87 1t65 h ALA 698 Cb 0.22 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1t65 h ALA 698 CO -0.23 -0.17 -0.44 0.00 0.00 0.00 0.00 179.25 178.40 1t65 h ALA 699 N 1.24 0.55 -0.44 0.00 0.00 -1.85 -1.27 119.26 117.49 1t65 h ALA 699 Ca 0.19 -0.48 -0.06 0.00 0.00 0.00 0.00 54.91 54.56 1t65 h ALA 699 Cb 0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1t65 h ALA 699 CO -0.15 0.68 0.04 -0.07 0.00 0.00 0.00 179.25 179.75 1t65 h LEU 700 N 0.73 0.72 -0.44 0.00 -0.00 -1.16 -1.96 115.31 113.20 1t65 h LEU 700 Ca 0.05 -0.28 -0.18 0.00 -0.00 0.00 0.00 57.88 57.47 1t65 h LEU 700 Cb 1.04 -0.19 -0.00 0.00 -0.00 0.00 0.00 40.66 41.50 1t65 h LEU 700 CO 0.10 0.82 -0.67 -0.07 -0.00 0.00 0.00 178.44 178.63 1t65 h LEU 701 N 0.60 0.55 -1.03 1.67 -0.00 -1.28 -1.87 115.31 113.95 1t65 h LEU 701 Ca 0.13 -0.34 -0.06 0.00 -0.00 0.00 0.00 57.88 57.62 1t65 h LEU 701 Cb 0.43 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.90 1t65 h LEU 701 CO 0.01 1.07 0.07 0.28 -0.00 0.00 0.00 178.44 179.87 1t65 h SER 702 N 0.34 0.72 -0.20 -0.43 0.02 -1.16 -0.95 113.55 111.89 1t65 h SER 702 Ca -0.02 -0.14 -0.17 0.00 -0.84 0.00 0.00 61.79 60.62 1t65 h SER 702 Cb 1.23 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.58 1t65 h SER 702 CO 0.12 0.75 -0.50 0.28 -1.14 0.00 0.00 176.83 176.33 1t65 h SER 703 N 0.73 0.85 -0.80 3.07 0.02 -1.24 -1.73 113.55 114.46 1t65 h SER 703 Ca 0.16 -0.44 -0.04 0.00 -0.84 0.00 0.00 61.79 60.63 1t65 h SER 703 Cb 0.35 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1t65 h SER 703 CO 0.01 1.20 0.34 -0.07 -1.14 0.00 0.00 176.83 177.17 1t65 h LEU 704 N 0.61 1.08 -0.76 5.07 3.38 -1.01 -0.46 115.31 123.22 1t65 h LEU 704 Ca 0.02 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.78 1t65 h LEU 704 Cb 1.08 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 1t65 h LEU 704 CO 0.11 0.95 0.26 0.78 0.09 0.00 0.00 178.44 180.63 1t65 h ASN 705 N 1.15 1.09 -0.34 -0.43 2.35 -1.00 -0.80 115.58 117.60 1t65 h ASN 705 Ca 0.27 -0.20 -0.12 0.00 -0.55 0.00 0.00 56.30 55.70 1t65 h ASN 705 Cb 0.19 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.26 1t65 h ASN 705 CO -0.03 0.99 -0.24 -0.08 -1.65 0.00 0.00 177.43 176.42 1t65 h GLU 706 N 1.12 0.84 -0.45 0.81 4.57 -0.96 -1.73 114.58 118.78 1t65 h GLU 706 Ca 0.25 -0.35 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1t65 h GLU 706 Cb 0.28 -0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1t65 h GLU 706 CO -0.01 0.99 0.04 1.25 -1.18 0.00 0.00 179.01 180.09 1t65 h LEU 707 N 0.72 0.68 -0.38 1.64 5.85 -0.82 -1.13 115.31 121.87 1t65 h LEU 707 Ca 0.09 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1t65 h LEU 707 Cb 0.78 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 1t65 h LEU 707 CO 0.06 0.73 0.15 1.23 -0.34 0.00 0.00 178.44 180.27 1t65 h GLY 708 N 0.93 0.61 1.00 3.75 0.00 -0.70 0.91 103.07 109.58 1t65 h GLY 708 Ca 0.14 -0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.12 1t65 h GLY 708 CO 0.01 0.32 0.38 -2.09 0.00 0.00 0.00 176.54 175.16 1t65 h GLU 709 N 0.47 0.97 -0.42 4.80 4.57 -0.90 -0.06 114.58 124.00 1t65 h GLU 709 Ca 0.13 -0.11 -0.13 0.00 -1.18 0.00 0.00 59.36 58.06 1t65 h GLU 709 Cb 0.19 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 1t65 h GLU 709 CO -0.01 0.72 -0.25 0.00 -1.18 0.00 0.00 179.01 178.29 1t65 h ARG 710 N 0.95 0.92 -0.07 1.92 3.08 -1.00 -2.97 114.38 117.21 1t65 h ARG 710 Ca 0.24 -0.42 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 1t65 h ARG 710 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1t65 h ARG 710 CO -0.04 1.08 -0.41 1.96 -1.07 0.00 0.00 179.97 181.49 1t65 h GLN 711 N 0.75 0.15 -0.70 0.04 4.20 -0.59 -2.80 115.11 116.15 1t65 h GLN 711 Ca 0.09 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.74 1t65 h GLN 711 Cb 0.83 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.57 1t65 h GLN 711 CO 0.07 0.53 0.47 1.25 -0.67 0.00 0.00 178.83 180.48 1t65 h LEU 712 N 0.12 0.80 -0.47 1.46 5.85 -0.85 0.33 115.31 122.56 1t65 h LEU 712 Ca 0.01 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.67 1t65 h LEU 712 Cb 0.78 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 1t65 h LEU 712 CO 0.06 0.58 0.14 0.58 -0.34 0.00 0.00 178.44 179.46 1t65 h VAL 713 N 0.95 1.23 -0.15 1.05 2.07 -1.44 -1.93 116.25 118.03 1t65 h VAL 713 Ca 0.26 -0.76 -0.14 0.00 0.82 0.00 0.00 66.70 66.88 1t65 h VAL 713 Cb -0.10 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1t65 h VAL 713 CO -0.06 0.28 -0.49 0.45 0.02 0.00 0.00 177.57 177.77 1t65 h HIS 714 N 0.62 0.49 -0.56 1.57 3.86 -1.37 -2.74 115.15 117.02 1t65 h HIS 714 Ca 0.15 -0.16 -0.08 0.00 -1.16 0.00 0.00 60.37 59.12 1t65 h HIS 714 Cb 0.28 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.63 1t65 h HIS 714 CO 0.01 0.82 0.04 0.28 0.86 0.00 0.00 177.93 179.94 1t65 h VAL 715 N 0.32 1.25 -0.35 2.45 2.07 -0.78 -0.56 116.25 120.65 1t65 h VAL 715 Ca 0.02 -1.04 -0.07 0.00 0.82 0.00 0.00 66.70 66.43 1t65 h VAL 715 Cb 0.98 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 1t65 h VAL 715 CO 0.09 0.38 -0.03 0.58 0.02 0.00 0.00 177.57 178.60 1t65 h VAL 716 N 0.87 1.27 -0.48 2.57 2.07 -1.24 0.09 116.25 121.39 1t65 h VAL 716 Ca 0.17 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.57 1t65 h VAL 716 Cb 0.46 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1t65 h VAL 716 CO 0.02 0.35 0.01 0.11 0.02 0.00 0.00 177.57 178.08 1t65 h LYS 717 N 0.45 0.79 0.22 1.57 1.57 -1.32 -1.79 116.57 118.05 1t65 h LYS 717 Ca 0.10 -0.21 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1t65 h LYS 717 Cb 0.51 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1t65 h LYS 717 CO 0.02 0.79 -0.10 2.35 -0.57 0.00 0.00 179.45 181.94 1t65 h TRP 718 N 0.74 -0.27 -0.73 -1.35 7.01 -0.96 -3.12 115.95 117.27 1t65 h TRP 718 Ca 0.15 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.21 1t65 h TRP 718 Cb 0.43 0.09 -0.06 0.00 -2.10 0.00 0.00 29.16 27.52 1t65 h TRP 718 CO 0.02 0.06 0.41 0.00 -2.79 0.00 0.00 178.44 176.14 1t65 h ALA 719 N 0.06 1.00 0.00 2.65 0.00 -0.89 -1.18 119.26 120.90 1t65 h ALA 719 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1t65 h ALA 719 Cb 0.45 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1t65 h ALA 719 CO 0.05 0.08 0.00 0.87 0.00 0.00 0.00 179.25 180.25 1t65 h LYS 720 N 0.73 0.00 -0.25 0.00 1.57 -1.34 -2.06 116.57 115.22 1t65 h LYS 720 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 1t65 h LYS 720 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1t65 h LYS 720 CO -0.20 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.68 1t65 n ALA 721 N -1.94 2.42 -1.77 3.86 0.00 -0.46 -4.81 120.51 117.82 1t65 n ALA 721 Ca -0.01 -0.88 -0.38 0.00 0.00 0.00 0.00 53.44 52.17 1t65 n ALA 721 Cb 0.13 -0.78 -0.03 0.00 0.00 0.00 0.00 19.45 18.77 1t65 n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1t65 s LEU 722 N -1.54 4.29 0.10 0.00 1.43 -0.78 -4.95 118.68 117.24 1t65 s LEU 722 Ca 0.32 2.22 -0.34 0.00 -1.03 0.00 0.00 54.13 55.30 1t65 s LEU 722 Cb 0.20 -3.95 -0.14 0.00 0.03 0.00 0.00 46.19 42.34 1t65 s LEU 722 CO 0.28 -0.44 1.63 -2.65 0.23 0.00 0.00 176.35 175.41 1t65 n PRO 723 N 0.40 2.11 -0.43 1.29 -0.02 -1.26 -2.00 135.00 135.10 1t65 n PRO 723 Ca 0.03 0.77 0.00 0.00 -2.02 0.00 0.00 63.50 62.27 1t65 n PRO 723 Cb 0.47 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1t65 n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1t65 n GLY 724 N 3.59 1.81 0.36 -1.23 0.00 -1.26 -4.90 105.19 103.56 1t65 n GLY 724 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 1t65 n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1t65 h PHE 725 N 0.00 0.59 0.00 1.61 3.57 -1.70 0.52 116.94 121.53 1t65 h PHE 725 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1t65 h PHE 725 Cb 0.00 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.55 1t65 h PHE 725 CO 0.00 0.27 0.00 0.54 -2.23 0.00 0.00 178.31 176.89 1t65 n ARG 726 N -4.49 0.07 0.22 1.11 1.74 -1.26 -2.28 116.66 111.77 1t65 n ARG 726 Ca 0.12 0.20 0.15 0.00 -0.77 0.00 0.00 57.85 57.55 1t65 n ARG 726 Cb 0.38 -1.50 0.53 0.00 -1.02 0.00 0.00 32.46 30.84 1t65 n ARG 726 CO 0.00 0.00 0.00 -0.91 -1.52 0.00 0.00 177.63 175.20 1t65 h ASN 727 N 0.00 0.00 -4.12 0.55 2.35 -1.29 -3.45 115.58 109.62 1t65 h ASN 727 Ca 0.00 0.00 -0.46 0.00 -0.55 0.00 0.00 56.30 55.29 1t65 h ASN 727 Cb 0.23 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.60 1t65 h ASN 727 CO 0.00 0.00 0.36 -0.76 -1.65 0.00 0.00 177.43 175.38 1t65 s LEU 728 N -5.68 3.78 0.46 1.61 1.43 -0.97 -4.94 118.68 114.38 1t65 s LEU 728 Ca 0.04 1.62 -0.24 0.00 -1.03 0.00 0.00 54.13 54.52 1t65 s LEU 728 Cb 0.09 -4.52 -0.07 0.00 0.03 0.00 0.00 46.19 41.72 1t65 s LEU 728 CO 0.54 -0.47 1.25 -2.28 0.23 0.00 0.00 176.35 175.62 1t65 s HIS 729 N -2.40 2.73 0.28 0.29 5.65 -1.26 -4.81 115.29 115.76 1t65 s HIS 729 Ca 0.60 1.46 0.02 0.00 0.25 0.00 0.00 55.06 57.39 1t65 s HIS 729 Cb -0.09 -3.57 0.65 0.00 -1.18 0.00 0.00 32.58 28.39 1t65 s HIS 729 CO 0.22 -2.00 1.72 -0.24 -0.65 0.00 0.00 174.74 173.79 1t65 h VAL 730 N 1.97 0.57 -0.07 0.89 3.04 -1.95 -0.78 116.25 119.92 1t65 h VAL 730 Ca -0.50 -0.16 -0.09 0.00 -1.01 0.00 0.00 66.70 64.94 1t65 h VAL 730 Cb 1.26 0.05 -0.01 0.00 -2.01 0.00 0.00 31.29 30.57 1t65 h VAL 730 CO 0.60 0.09 -0.37 0.44 -1.01 0.00 0.00 177.57 177.32 1t65 h ASP 731 N 0.48 0.13 1.06 3.17 3.32 -2.01 -2.87 116.42 119.71 1t65 h ASP 731 Ca 0.52 -0.05 -0.16 0.00 0.02 0.00 0.00 57.03 57.37 1t65 h ASP 731 Cb 0.90 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.39 1t65 h ASP 731 CO -0.47 0.50 -0.74 0.44 -1.72 0.00 0.00 179.24 177.25 1t65 h ASP 732 N 0.11 0.00 -0.45 6.45 3.32 -1.54 -2.32 116.42 121.99 1t65 h ASP 732 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1t65 h ASP 732 Cb 0.71 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 1t65 h ASP 732 CO 0.05 0.74 0.23 1.56 -1.72 0.00 0.00 179.24 180.10 1t65 h GLN 733 N 0.00 0.64 -0.36 3.56 4.20 -1.09 -1.46 115.11 120.59 1t65 h GLN 733 Ca -0.01 -0.09 -0.09 0.00 0.06 0.00 0.00 58.65 58.52 1t65 h GLN 733 Cb 1.47 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.12 1t65 h GLN 733 CO 0.10 0.53 -0.13 1.98 -0.67 0.00 0.00 178.83 180.64 1t65 h MET 734 N 0.59 0.73 -0.01 1.46 4.05 -1.52 -3.20 114.93 117.03 1t65 h MET 734 Ca 0.16 -0.30 0.00 0.00 -0.28 0.00 0.00 59.70 59.28 1t65 h MET 734 Cb 0.09 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.86 1t65 h MET 734 CO -0.02 0.90 0.01 0.00 0.23 0.00 0.00 176.91 178.03 1t65 h ALA 735 N 0.81 0.01 -0.33 0.39 0.00 -1.17 -1.50 119.26 117.47 1t65 h ALA 735 Ca 0.09 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1t65 h ALA 735 Cb 0.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1t65 h ALA 735 CO 0.04 -0.48 0.13 -0.39 0.00 0.00 0.00 179.25 178.55 1t65 h VAL 736 N 0.01 1.13 -0.16 0.00 -1.51 -1.36 -1.17 116.25 113.20 1t65 h VAL 736 Ca 0.00 -0.40 -0.07 0.00 -1.23 0.00 0.00 66.70 65.00 1t65 h VAL 736 Cb 0.01 0.74 -0.00 0.00 -2.13 0.00 0.00 31.29 29.90 1t65 h VAL 736 CO -0.00 0.16 -0.18 0.40 -1.23 0.00 0.00 177.57 176.71 1t65 h ILE 737 N 0.46 1.35 0.00 7.19 2.04 -1.51 -1.78 117.51 125.26 1t65 h ILE 737 Ca 0.12 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.58 1t65 h ILE 737 Cb 0.10 1.88 -0.00 0.00 -0.74 0.00 0.00 36.82 38.05 1t65 h ILE 737 CO -0.01 0.41 -0.12 1.56 0.00 0.00 0.00 178.15 179.99 1t65 h GLN 738 N 0.03 0.00 0.04 2.37 4.20 -0.75 -2.48 115.11 118.52 1t65 h GLN 738 Ca 0.02 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.40 1t65 h GLN 738 Cb 0.73 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.47 1t65 h GLN 738 CO 0.04 0.12 -1.97 0.66 -0.67 0.00 0.00 178.83 177.01 1t65 n TYR 739 N -3.97 0.83 0.86 2.96 4.01 -0.49 -4.52 117.16 116.84 1t65 n TYR 739 Ca -0.02 0.25 0.12 0.00 -0.16 0.00 0.00 57.90 58.08 1t65 n TYR 739 Cb 0.21 -1.13 0.12 0.00 -0.31 0.00 0.00 39.34 38.22 1t65 n TYR 739 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1t65 n SER 740 N -3.15 3.07 -0.36 7.72 7.64 -0.67 -4.57 113.62 123.29 1t65 n SER 740 Ca -0.26 -1.99 0.07 0.00 1.01 0.00 0.00 58.87 57.69 1t65 n SER 740 Cb 1.06 -0.05 0.23 0.00 -1.01 0.00 0.00 64.21 64.45 1t65 n SER 740 CO 0.00 0.00 0.00 4.11 -3.01 0.00 0.00 175.04 176.14 1t65 h TRP 741 N 4.62 1.15 0.07 1.43 5.08 -1.67 -1.72 115.95 124.92 1t65 h TRP 741 Ca 0.00 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.00 1t65 h TRP 741 Cb 0.99 -0.37 0.00 0.00 -3.00 0.00 0.00 29.16 26.78 1t65 h TRP 741 CO 0.05 0.47 -0.04 1.98 -1.28 0.00 0.00 178.44 179.62 1t65 h MET 742 N 1.02 -0.10 -0.65 0.12 4.05 -1.89 -0.74 114.93 116.75 1t65 h MET 742 Ca 0.49 0.01 -0.01 0.00 -0.28 0.00 0.00 59.70 59.91 1t65 h MET 742 Cb 0.45 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.24 1t65 h MET 742 CO -0.25 -0.04 0.37 0.78 0.23 0.00 0.00 176.91 177.99 1t65 h GLY 743 N -0.13 0.95 0.88 1.39 0.00 -1.80 -1.33 103.07 103.04 1t65 h GLY 743 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1t65 h GLY 743 CO 0.02 0.41 0.14 1.41 0.00 0.00 0.00 176.54 178.52 1t65 h LEU 744 N 0.88 0.22 -0.75 3.11 3.38 -1.13 -1.25 115.31 119.76 1t65 h LEU 744 Ca 0.23 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.09 1t65 h LEU 744 Cb 0.02 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1t65 h LEU 744 CO -0.04 0.16 -0.39 0.24 0.09 0.00 0.00 178.44 178.50 1t65 h MET 745 N 0.30 0.49 -0.39 1.13 2.86 -0.98 -2.23 114.93 116.11 1t65 h MET 745 Ca 0.12 -0.24 -0.12 0.00 -2.06 0.00 0.00 59.70 57.40 1t65 h MET 745 Cb 0.03 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 1t65 h MET 745 CO -0.08 0.80 -0.21 0.28 1.06 0.00 0.00 176.91 178.77 1t65 h VAL 746 N 0.40 1.28 -0.30 -2.22 2.07 -1.08 -1.17 116.25 115.23 1t65 h VAL 746 Ca 0.04 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 1t65 h VAL 746 Cb 0.87 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.93 1t65 h VAL 746 CO 0.07 0.45 0.16 0.15 0.02 0.00 0.00 177.57 178.42 1t65 h PHE 747 N 0.64 0.42 -0.60 1.57 3.57 -1.15 -0.97 116.94 120.43 1t65 h PHE 747 Ca 0.09 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 1t65 h PHE 747 Cb 0.76 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1t65 h PHE 747 CO 0.06 0.35 0.10 0.00 -2.23 0.00 0.00 178.31 176.59 1t65 h ALA 748 N 1.03 1.05 -0.59 2.41 0.00 -1.36 -2.33 119.26 119.47 1t65 h ALA 748 Ca 0.11 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 1t65 h ALA 748 Cb 0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1t65 h ALA 748 CO -0.02 0.61 0.04 1.98 0.00 0.00 0.00 179.25 181.87 1t65 h MET 749 N 0.91 0.99 -0.69 0.00 1.85 -0.93 -1.24 114.93 115.81 1t65 h MET 749 Ca 0.19 -0.28 -0.04 0.00 -0.61 0.00 0.00 59.70 58.96 1t65 h MET 749 Cb 0.40 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 32.29 1t65 h MET 749 CO 0.01 0.94 0.26 0.78 -0.40 0.00 0.00 176.91 178.50 1t65 h GLY 750 N 1.01 1.11 0.92 1.39 0.00 -0.86 -1.01 103.07 105.63 1t65 h GLY 750 Ca 0.18 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.83 1t65 h GLY 750 CO 0.02 0.56 -0.11 -0.25 0.00 0.00 0.00 176.54 176.76 1t65 h TRP 751 N 1.01 0.72 -0.97 5.60 2.91 -1.04 -2.16 115.95 122.02 1t65 h TRP 751 Ca 0.23 -0.17 0.01 0.00 1.13 0.00 0.00 58.89 60.09 1t65 h TRP 751 Cb 0.22 -0.17 -0.05 0.00 -0.51 0.00 0.00 29.16 28.65 1t65 h TRP 751 CO 0.02 0.83 0.63 0.00 -1.03 0.00 0.00 178.44 178.89 1t65 h ARG 752 N 0.41 1.29 -0.58 2.65 3.08 -0.97 -0.64 114.38 119.61 1t65 h ARG 752 Ca 0.08 -0.09 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1t65 h ARG 752 Cb 0.62 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1t65 h ARG 752 CO 0.04 0.87 0.29 0.77 -1.07 0.00 0.00 179.97 180.86 1t65 h SER 753 N 1.32 0.75 0.34 7.04 0.02 -1.05 -0.15 113.55 121.83 1t65 h SER 753 Ca 0.35 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 1t65 h SER 753 Cb -0.13 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.22 1t65 h SER 753 CO -0.07 0.66 -0.16 0.15 -1.14 0.00 0.00 176.83 176.26 1t65 h PHE 754 N 0.79 -0.42 -0.31 3.45 3.57 -0.80 -1.54 116.94 121.68 1t65 h PHE 754 Ca 0.20 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 1t65 h PHE 754 Cb 0.10 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1t65 h PHE 754 CO -0.00 -0.13 -0.19 1.79 -2.23 0.00 0.00 178.31 177.54 1t65 h THR 755 N -0.69 1.26 0.13 4.41 1.35 -1.10 -1.72 112.91 116.55 1t65 h THR 755 Ca -0.05 -1.21 -0.36 0.00 -0.55 0.00 0.00 66.41 64.25 1t65 h THR 755 Cb 0.48 1.23 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1t65 h THR 755 CO 0.08 0.39 -1.92 0.78 -0.25 0.00 0.00 175.52 174.60 1t65 h ASN 756 N 0.52 0.44 0.00 5.36 2.35 -1.09 -3.42 115.58 119.75 1t65 h ASN 756 Ca 0.08 -0.91 -0.02 0.00 -0.55 0.00 0.00 56.30 54.90 1t65 h ASN 756 Cb 0.63 -0.14 -0.05 0.00 0.05 0.00 0.00 38.32 38.80 1t65 h ASN 756 CO 0.04 1.80 -0.39 1.33 -1.65 0.00 0.00 177.43 178.56 1t65 n VAL 757 N -3.49 0.90 -4.12 2.81 0.24 -0.72 -5.01 118.33 108.94 1t65 n VAL 757 Ca -0.29 -1.27 -0.33 0.00 -2.04 0.00 0.00 64.34 60.41 1t65 n VAL 757 Cb 1.05 0.22 -0.02 0.00 -1.47 0.00 0.00 33.84 33.63 1t65 n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1t65 n ASN 758 N -0.56 -2.58 -0.92 -1.34 5.15 -0.65 -1.36 115.26 112.99 1t65 n ASN 758 Ca 0.08 -0.99 -0.12 0.00 -0.60 0.00 0.00 54.58 52.95 1t65 n ASN 758 Cb 0.73 -2.93 -0.05 0.00 -0.53 0.00 0.00 39.78 37.00 1t65 n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1t65 n SER 759 N -2.77 -5.47 0.21 1.20 7.64 -0.66 -4.85 113.62 108.92 1t65 n SER 759 Ca -0.04 0.30 0.07 0.00 1.01 0.00 0.00 58.87 60.21 1t65 n SER 759 Cb 0.55 -4.04 0.43 0.00 -1.01 0.00 0.00 64.21 60.14 1t65 n SER 759 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1t65 h ARG 760 N 0.03 0.00 -3.84 1.43 2.43 -1.48 -3.46 114.38 109.49 1t65 h ARG 760 Ca -0.25 0.00 -0.10 0.00 -0.81 0.00 0.00 59.98 58.83 1t65 h ARG 760 Cb 1.13 0.00 -0.11 0.00 -0.42 0.00 0.00 29.97 30.57 1t65 h ARG 760 CO 0.36 0.31 -0.23 -1.64 -1.51 0.00 0.00 179.97 177.26 1t65 s MET 761 N -3.81 1.44 -0.35 0.20 -1.94 -1.26 -4.92 119.30 108.65 1t65 s MET 761 Ca -0.01 -1.31 -0.20 0.00 -1.71 0.00 0.00 55.69 52.47 1t65 s MET 761 Cb 0.12 0.42 0.00 0.00 2.01 0.00 0.00 34.83 37.38 1t65 s MET 761 CO 0.67 -0.57 0.60 -0.51 -0.01 0.00 0.00 175.02 175.19 1t65 s LEU 762 N -3.04 4.28 -1.20 -0.03 1.43 -0.81 -4.80 118.68 114.52 1t65 s LEU 762 Ca 0.25 0.10 -0.10 0.00 -1.03 0.00 0.00 54.13 53.34 1t65 s LEU 762 Cb 0.01 -2.72 0.21 0.00 0.03 0.00 0.00 46.19 43.72 1t65 s LEU 762 CO 0.08 -0.55 1.55 0.00 0.23 0.00 0.00 176.35 177.66 1t65 n TYR 763 N 5.94 3.92 -0.29 0.29 4.19 -1.26 -0.81 117.16 129.14 1t65 n TYR 763 Ca -0.02 -3.13 -0.05 0.00 3.31 0.00 0.00 57.90 58.00 1t65 n TYR 763 Cb 0.49 -1.90 0.06 0.00 0.49 0.00 0.00 39.34 38.49 1t65 n TYR 763 CO 0.00 0.00 0.00 0.74 0.91 0.00 0.00 176.86 178.51 1t65 h PHE 764 N 6.33 1.11 -2.74 2.98 0.04 -1.78 -3.42 116.94 119.46 1t65 h PHE 764 Ca 0.31 -0.05 0.07 0.00 2.80 0.00 0.00 57.97 61.10 1t65 h PHE 764 Cb 0.75 -0.35 -0.10 0.00 2.20 0.00 0.00 35.95 38.45 1t65 h PHE 764 CO 1.09 0.80 0.32 0.00 -0.60 0.00 0.00 178.31 179.92 1t65 s ALA 765 N -5.74 -1.56 0.38 2.45 0.00 -1.04 -4.97 121.76 111.28 1t65 s ALA 765 Ca -0.13 0.32 0.12 0.00 0.00 0.00 0.00 51.96 52.28 1t65 s ALA 765 Cb 0.15 0.74 0.92 0.00 0.00 0.00 0.00 23.12 24.93 1t65 s ALA 765 CO 0.82 -0.87 1.86 -1.35 0.00 0.00 0.00 175.76 176.22 1t65 h PRO 766 N 2.00 0.56 -0.56 0.00 0.11 -1.90 -0.70 132.00 131.52 1t65 h PRO 766 Ca -0.26 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1t65 h PRO 766 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1t65 h PRO 766 CO 0.30 0.37 0.00 -0.40 -0.21 0.00 0.00 178.00 178.07 1t65 n ASP 767 N -4.55 5.33 -2.99 -2.05 5.75 -1.26 -4.67 116.55 112.12 1t65 n ASP 767 Ca 0.18 -2.83 -0.12 0.00 -0.01 0.00 0.00 54.79 52.00 1t65 n ASP 767 Cb 0.55 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.97 1t65 n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1t65 n LEU 768 N 0.61 -2.37 -4.44 -2.12 7.94 -0.27 -4.49 117.00 111.86 1t65 n LEU 768 Ca 0.27 -3.46 -0.34 0.00 -1.11 0.00 0.00 56.01 51.36 1t65 n LEU 768 Cb 1.10 0.69 -0.13 0.00 0.53 0.00 0.00 43.42 45.61 1t65 n LEU 768 CO 0.29 1.91 -0.35 -0.69 -1.11 0.00 0.00 177.39 177.44 1t65 s VAL 769 N 0.56 3.81 -0.27 1.96 1.01 -1.25 -2.27 120.40 123.94 1t65 s VAL 769 Ca 0.31 -0.37 -0.14 0.00 0.00 0.00 0.00 61.98 61.78 1t65 s VAL 769 Cb 0.02 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1t65 s VAL 769 CO -0.11 0.45 0.33 -0.36 0.00 0.00 0.00 175.10 175.41 1t65 s PHE 770 N 0.85 3.24 0.70 5.22 0.40 0.01 -4.93 117.98 123.46 1t65 s PHE 770 Ca -0.00 0.34 0.03 0.00 -0.60 0.00 0.00 56.93 56.70 1t65 s PHE 770 Cb -0.14 -2.52 0.13 0.00 0.51 0.00 0.00 43.02 40.99 1t65 s PHE 770 CO 0.02 -0.21 0.96 0.54 0.70 0.00 0.00 175.22 177.23 1t65 s ASN 771 N 1.67 4.45 0.36 1.36 2.20 -1.26 -1.92 114.94 121.80 1t65 s ASN 771 Ca 0.13 -0.64 0.04 0.00 -0.94 0.00 0.00 52.86 51.45 1t65 s ASN 771 Cb -0.16 0.31 0.70 0.00 -2.00 0.00 0.00 41.25 40.10 1t65 s ASN 771 CO 0.10 -1.82 2.00 -0.33 -2.94 0.00 0.00 177.10 174.12 1t65 h GLU 772 N -0.38 0.77 -0.52 3.55 4.39 -1.98 -1.73 114.58 118.68 1t65 h GLU 772 Ca -0.32 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.34 1t65 h GLU 772 Cb 1.27 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.72 1t65 h GLU 772 CO 0.38 0.51 0.34 -0.92 -1.16 0.00 0.00 179.01 178.16 1t65 h TYR 773 N 0.79 0.65 -0.15 4.33 3.20 -2.00 -1.42 116.97 122.37 1t65 h TYR 773 Ca 0.24 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 62.01 1t65 h TYR 773 Cb 0.01 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 1t65 h TYR 773 CO -0.00 0.41 -0.41 0.00 -1.64 0.00 0.00 178.16 176.52 1t65 h ARG 774 N 0.70 0.35 -0.85 1.82 3.08 -1.81 -1.19 114.38 116.49 1t65 h ARG 774 Ca 0.19 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1t65 h ARG 774 Cb -0.08 -0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.93 1t65 h ARG 774 CO -0.04 0.71 0.55 0.52 -1.07 0.00 0.00 179.97 180.63 1t65 h MET 775 N 0.29 1.13 -0.27 0.04 2.86 -0.79 -0.96 114.93 117.23 1t65 h MET 775 Ca 0.03 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.50 1t65 h MET 775 Cb 0.85 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 32.26 1t65 h MET 775 CO 0.07 0.76 -0.16 1.25 1.06 0.00 0.00 176.91 179.90 1t65 h HIS 776 N 1.16 0.68 0.00 -0.22 -0.00 -0.98 -3.14 115.15 112.66 1t65 h HIS 776 Ca 0.31 -0.18 -0.04 0.00 -0.00 0.00 0.00 60.37 60.46 1t65 h HIS 776 Cb -0.11 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.14 1t65 h HIS 776 CO -0.01 0.85 -0.19 -0.22 -0.00 0.00 0.00 177.93 178.36 1t65 h LYS 777 N 0.32 0.00 0.00 5.26 1.63 -0.91 -2.47 116.57 120.40 1t65 h LYS 777 Ca 0.06 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1t65 h LYS 777 Cb 0.68 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.31 1t65 h LYS 777 CO 0.04 0.19 0.00 -1.13 -3.45 0.00 0.00 179.45 175.10 1t65 n SER 778 N -4.01 0.11 -0.41 4.20 3.41 -0.39 -4.35 113.62 112.18 1t65 n SER 778 Ca -0.02 0.52 -0.05 0.00 -0.26 0.00 0.00 58.87 59.05 1t65 n SER 778 Cb 0.27 -0.54 -0.02 0.00 -0.26 0.00 0.00 64.21 63.65 1t65 n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1t65 n ARG 779 N -1.61 -1.20 -2.55 4.33 1.74 -0.93 -4.84 116.66 111.60 1t65 n ARG 779 Ca 0.05 0.58 -0.15 0.00 -0.77 0.00 0.00 57.85 57.57 1t65 n ARG 779 Cb 0.26 -4.62 0.02 0.00 -1.02 0.00 0.00 32.46 27.10 1t65 n ARG 779 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1t65 n MET 780 N -1.19 2.27 -0.02 5.56 0.00 -1.25 -4.93 117.12 117.56 1t65 n MET 780 Ca -0.05 -3.80 -0.09 0.00 0.00 0.00 0.00 57.70 53.76 1t65 n MET 780 Cb 0.38 -1.75 -0.04 0.00 0.00 0.00 0.00 33.22 31.81 1t65 n MET 780 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 175.97 175.05 1t65 h TYR 781 N 2.68 -0.06 -0.79 3.17 5.03 -1.85 -1.56 116.97 123.59 1t65 h TYR 781 Ca 0.08 0.01 0.05 0.00 2.58 0.00 0.00 58.73 61.45 1t65 h TYR 781 Cb 1.18 0.05 -0.05 0.00 1.55 0.00 0.00 36.73 39.45 1t65 h TYR 781 CO 0.64 -0.05 0.49 0.66 -1.32 0.00 0.00 178.16 178.58 1t65 h SER 782 N 0.02 0.79 -0.63 -2.11 4.64 -1.91 -0.58 113.55 113.76 1t65 h SER 782 Ca 0.08 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 61.32 1t65 h SER 782 Cb 0.11 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 1t65 h SER 782 CO -0.15 0.52 0.08 1.56 -0.87 0.00 0.00 176.83 177.97 1t65 h GLN 783 N 0.93 1.07 -0.58 4.77 7.50 -1.91 -2.30 115.11 124.59 1t65 h GLN 783 Ca 0.33 -0.29 -0.06 0.00 0.50 0.00 0.00 58.65 59.13 1t65 h GLN 783 Cb 0.10 -0.12 -0.03 0.00 0.05 0.00 0.00 27.48 27.48 1t65 h GLN 783 CO -0.15 1.00 0.12 0.00 -1.50 0.00 0.00 178.83 178.30 1t65 h VAL 785 N 0.87 1.27 -0.13 0.00 2.07 -0.85 -1.79 116.25 117.69 1t65 h VAL 785 Ca 0.18 -1.29 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 1t65 h VAL 785 Cb 0.35 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.43 1t65 h VAL 785 CO 0.00 0.42 -0.37 0.03 0.02 0.00 0.00 177.57 177.67 1t65 h ARG 786 N 0.48 0.27 0.00 1.57 3.08 -0.97 -1.92 114.38 116.89 1t65 h ARG 786 Ca 0.07 -0.12 -0.12 0.00 0.07 0.00 0.00 59.98 59.88 1t65 h ARG 786 Cb 0.69 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.72 1t65 h ARG 786 CO 0.05 0.61 -0.58 0.52 -1.07 0.00 0.00 179.97 179.50 1t65 h MET 787 N 0.23 0.00 -0.03 0.04 2.86 -0.91 -2.09 114.93 115.02 1t65 h MET 787 Ca 0.03 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.51 1t65 h MET 787 Cb 0.77 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.42 1t65 h MET 787 CO 0.06 0.58 -0.69 -0.09 1.06 0.00 0.00 176.91 177.83 1t65 h ARG 788 N 0.00 0.16 -0.50 1.72 2.43 -0.97 -1.69 114.38 115.53 1t65 h ARG 788 Ca -0.01 -0.13 -0.09 0.00 -0.81 0.00 0.00 59.98 58.94 1t65 h ARG 788 Cb 1.13 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.69 1t65 h ARG 788 CO 0.08 0.79 -0.06 1.25 -1.51 0.00 0.00 179.97 180.51 1t65 h HIS 789 N 0.11 1.02 -0.66 2.20 2.76 -1.12 -1.51 115.15 117.95 1t65 h HIS 789 Ca -0.02 -0.20 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 1t65 h HIS 789 Cb 1.23 -0.26 -0.03 0.00 1.55 0.00 0.00 27.41 29.90 1t65 h HIS 789 CO 0.02 0.97 0.41 1.25 -1.30 0.00 0.00 177.93 179.28 1t65 h LEU 790 N 0.78 0.77 -0.80 0.26 5.85 -1.14 -1.82 115.31 119.21 1t65 h LEU 790 Ca 0.13 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1t65 h LEU 790 Cb 0.60 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 1t65 h LEU 790 CO 0.04 0.59 0.50 -1.28 -0.34 0.00 0.00 178.44 177.95 1t65 h SER 791 N 0.89 0.95 -0.22 1.25 0.87 -0.97 -2.15 113.55 114.17 1t65 h SER 791 Ca 0.24 -0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 1t65 h SER 791 Cb -0.06 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1t65 h SER 791 CO -0.05 0.72 0.04 1.56 -0.53 0.00 0.00 176.83 178.57 1t65 h GLN 792 N 1.10 0.45 -0.29 2.24 4.20 -0.79 -2.55 115.11 119.47 1t65 h GLN 792 Ca 0.29 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.92 1t65 h GLN 792 Cb -0.08 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 27.61 1t65 h GLN 792 CO -0.06 0.45 0.15 0.93 -0.67 0.00 0.00 178.83 179.63 1t65 h GLU 793 N 0.45 0.40 -0.11 1.46 4.39 -0.66 -0.97 114.58 119.53 1t65 h GLU 793 Ca 0.10 -0.04 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 1t65 h GLU 793 Cb 0.23 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1t65 h GLU 793 CO 0.00 0.31 0.06 0.74 -1.16 0.00 0.00 179.01 178.96 1t65 h PHE 794 N 0.40 0.14 0.10 4.33 0.04 -1.40 -0.50 116.94 120.07 1t65 h PHE 794 Ca 0.10 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.64 1t65 h PHE 794 Cb 0.04 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 1t65 h PHE 794 CO 0.00 0.10 -1.23 0.78 -0.60 0.00 0.00 178.31 177.37 1t65 h GLY 795 N 0.18 0.24 1.02 -1.45 0.00 -1.34 -1.83 103.07 99.90 1t65 h GLY 795 Ca 0.04 -0.62 -0.00 0.00 0.00 0.00 0.00 47.33 46.75 1t65 h GLY 795 CO -0.01 0.54 0.60 1.49 0.00 0.00 0.00 176.54 179.16 1t65 h TRP 796 N -0.42 1.25 -0.01 5.60 6.55 -1.08 -1.94 115.95 125.90 1t65 h TRP 796 Ca -0.27 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.58 1t65 h TRP 796 Cb 1.65 -0.41 0.00 0.00 -0.86 0.00 0.00 29.16 29.54 1t65 h TRP 796 CO 0.14 0.82 -0.01 1.28 -1.05 0.00 0.00 178.44 179.62 1t65 n LEU 797 N -4.37 1.08 -3.86 -4.49 4.77 -0.21 -4.95 117.00 104.97 1t65 n LEU 797 Ca 0.11 -0.36 -0.24 0.00 -0.03 0.00 0.00 56.01 55.49 1t65 n LEU 797 Cb 0.04 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1t65 n LEU 797 CO 0.38 0.18 -0.16 0.00 -1.33 0.00 0.00 177.39 176.46 1t65 n GLN 798 N -0.17 -3.97 -1.99 3.23 6.02 -0.73 -4.89 117.38 114.88 1t65 n GLN 798 Ca 0.20 0.49 -0.42 0.00 -0.01 0.00 0.00 57.00 57.26 1t65 n GLN 798 Cb 0.29 -4.82 -0.03 0.00 1.02 0.00 0.00 30.24 26.70 1t65 n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1t65 s ILE 799 N -3.82 2.91 0.54 5.09 -1.09 -0.70 -5.00 121.20 119.14 1t65 s ILE 799 Ca 0.04 0.59 -0.08 0.00 -2.23 0.00 0.00 60.65 58.96 1t65 s ILE 799 Cb -0.02 -3.38 -0.04 0.00 -1.58 0.00 0.00 42.46 37.44 1t65 s ILE 799 CO 0.86 0.03 0.90 0.42 -1.23 0.00 0.00 174.94 175.92 1t65 s THR 800 N 1.54 4.80 0.45 2.92 -4.23 -1.26 -4.91 115.64 114.95 1t65 s THR 800 Ca 0.70 0.55 0.12 0.00 -1.18 0.00 0.00 61.69 61.87 1t65 s THR 800 Cb -0.41 -3.86 0.29 0.00 1.34 0.00 0.00 72.50 69.86 1t65 s THR 800 CO 0.31 -0.97 2.06 -0.65 -0.54 0.00 0.00 174.62 174.83 1t65 h PRO 801 N 0.04 0.35 -0.08 3.99 0.11 -1.99 -0.92 132.00 133.49 1t65 h PRO 801 Ca -0.46 -0.02 -0.20 0.00 0.11 0.00 0.00 66.00 65.43 1t65 h PRO 801 Cb 1.20 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1t65 h PRO 801 CO 0.62 0.23 -0.79 1.96 -0.21 0.00 0.00 178.00 179.81 1t65 h GLN 802 N 0.36 0.51 -0.50 1.05 7.50 -2.00 -2.31 115.11 119.72 1t65 h GLN 802 Ca 0.16 -0.44 -0.10 0.00 0.50 0.00 0.00 58.65 58.76 1t65 h GLN 802 Cb 0.17 0.10 -0.02 0.00 0.05 0.00 0.00 27.48 27.79 1t65 h GLN 802 CO -0.04 1.08 -0.08 0.93 -1.50 0.00 0.00 178.83 179.22 1t65 h GLU 803 N 0.33 0.94 -0.26 1.46 5.08 -1.76 -2.37 114.58 118.00 1t65 h GLU 803 Ca -0.05 -0.34 0.04 0.00 -1.00 0.00 0.00 59.36 58.01 1t65 h GLU 803 Cb 1.40 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.55 1t65 h GLU 803 CO 0.14 1.00 0.03 0.35 -1.00 0.00 0.00 179.01 179.53 1t65 h PHE 804 N 0.79 0.05 -0.47 4.33 3.57 -1.14 -0.31 116.94 123.76 1t65 h PHE 804 Ca 0.13 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.65 1t65 h PHE 804 Cb 0.63 0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1t65 h PHE 804 CO 0.05 -0.00 0.31 -0.07 -2.23 0.00 0.00 178.31 176.36 1t65 h LEU 805 N 0.12 0.53 -0.54 0.59 3.38 -1.27 -0.90 115.31 117.23 1t65 h LEU 805 Ca 0.12 -0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.95 1t65 h LEU 805 Cb 0.14 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1t65 h LEU 805 CO -0.18 0.39 -0.27 0.00 0.09 0.00 0.00 178.44 178.47 1t65 h MET 807 N 0.76 1.10 -0.71 0.00 2.86 -0.86 -2.08 114.93 116.01 1t65 h MET 807 Ca 0.09 -0.30 -0.05 0.00 -2.06 0.00 0.00 59.70 57.38 1t65 h MET 807 Cb 0.83 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 1t65 h MET 807 CO 0.07 1.02 0.24 -0.22 1.06 0.00 0.00 176.91 179.08 1t65 h LYS 808 N 1.02 1.08 -0.73 1.72 3.64 -1.07 -2.20 116.57 120.03 1t65 h LYS 808 Ca 0.20 -0.22 -0.05 0.00 -1.27 0.00 0.00 60.65 59.31 1t65 h LYS 808 Cb 0.46 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1t65 h LYS 808 CO 0.02 0.92 0.26 0.00 -2.27 0.00 0.00 179.45 178.38 1t65 h ALA 809 N 1.11 0.95 -0.00 5.00 0.00 -1.31 -2.41 119.26 122.61 1t65 h ALA 809 Ca 0.23 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1t65 h ALA 809 Cb 0.27 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1t65 h ALA 809 CO -0.01 0.60 -0.06 -0.07 0.00 0.00 0.00 179.25 179.71 1t65 h LEU 810 N 1.07 0.00 -2.01 0.00 3.38 -0.93 -2.03 115.31 114.78 1t65 h LEU 810 Ca 0.24 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.20 1t65 h LEU 810 Cb 0.26 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 1t65 h LEU 810 CO -0.01 0.06 -0.05 -0.07 0.09 0.00 0.00 178.44 178.45 1t65 h LEU 811 N 0.00 0.00 -1.12 1.67 3.38 -0.88 -1.74 115.31 116.63 1t65 h LEU 811 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1t65 h LEU 811 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 1t65 h LEU 811 CO 0.01 0.05 -0.17 0.25 0.09 0.00 0.00 178.44 178.67 1t65 h LEU 812 N 0.00 0.00 -3.79 1.67 5.85 -1.41 -3.14 115.31 114.49 1t65 h LEU 812 Ca -0.00 0.00 -0.55 0.00 0.84 0.00 0.00 57.88 58.17 1t65 h LEU 812 Cb 0.32 0.00 -0.35 0.00 0.37 0.00 0.00 40.66 41.00 1t65 h LEU 812 CO 0.01 0.17 -0.22 0.49 -0.34 0.00 0.00 178.44 178.55 1t65 n PHE 813 N -3.31 2.73 -0.11 1.25 3.72 -0.66 -4.67 117.46 116.42 1t65 n PHE 813 Ca 0.00 -2.42 0.01 0.00 -0.05 0.00 0.00 57.45 55.00 1t65 n PHE 813 Cb 0.41 -0.70 0.02 0.00 -0.94 0.00 0.00 39.48 38.26 1t65 n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 1t65 n SER 814 N -0.82 2.04 -3.70 4.37 7.64 -1.19 -4.97 113.62 117.00 1t65 n SER 814 Ca 0.49 -2.11 -0.14 0.00 1.01 0.00 0.00 58.87 58.12 1t65 n SER 814 Cb 0.88 -0.04 -0.14 0.00 -1.01 0.00 0.00 64.21 63.89 1t65 n SER 814 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1t65 s ILE 815 N -1.19 -0.19 0.11 0.44 1.01 -1.26 -0.18 121.20 119.95 1t65 s ILE 815 Ca 0.03 0.26 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 1t65 s ILE 815 Cb 0.03 -0.32 -0.04 0.00 0.01 0.00 0.00 42.46 42.14 1t65 s ILE 815 CO 0.00 0.11 0.06 0.27 0.00 0.00 0.00 174.94 175.38 1t65 s ILE 816 N 1.82 0.13 0.24 2.92 -4.36 -0.92 -4.86 121.20 116.17 1t65 s ILE 816 Ca -0.03 -1.84 -0.28 0.00 -0.26 0.00 0.00 60.65 58.25 1t65 s ILE 816 Cb -0.12 -1.90 -0.09 0.00 1.25 0.00 0.00 42.46 41.60 1t65 s ILE 816 CO -0.07 -0.57 0.90 -2.16 0.24 0.00 0.00 174.94 173.28 1t65 s PRO 817 N -4.01 4.71 0.47 0.37 0.04 -1.26 -1.29 135.00 134.02 1t65 s PRO 817 Ca 0.20 1.35 0.12 0.00 0.04 0.00 0.00 61.00 62.71 1t65 s PRO 817 Cb 0.07 -3.14 1.09 0.00 0.04 0.00 0.00 34.50 32.56 1t65 s PRO 817 CO -0.01 0.47 2.11 0.28 0.04 0.00 0.00 177.00 179.89 1t65 h VAL 818 N 3.04 1.05 0.00 -0.36 2.07 -1.41 -0.17 116.25 120.46 1t65 h VAL 818 Ca -0.46 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1t65 h VAL 818 Cb 1.20 0.79 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1t65 h VAL 818 CO 0.67 0.05 0.00 -0.90 0.02 0.00 0.00 177.57 177.40 1t65 n ASP 819 N -4.51 0.22 0.00 0.57 5.68 -1.26 -5.01 116.55 112.24 1t65 n ASP 819 Ca -0.00 0.54 0.00 0.00 -0.50 0.00 0.00 54.79 54.83 1t65 n ASP 819 Cb 0.08 -0.59 0.00 0.00 -1.14 0.00 0.00 41.12 39.47 1t65 n ASP 819 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1t65 n GLY 820 N 0.58 -0.38 3.91 6.12 0.00 -0.08 -5.03 105.19 110.31 1t65 n GLY 820 Ca 0.04 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.22 1t65 n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1t65 s LEU 821 N -1.80 2.94 0.19 0.99 1.43 -1.26 -4.84 118.68 116.32 1t65 s LEU 821 Ca 0.00 0.74 -0.12 0.00 -1.03 0.00 0.00 54.13 53.72 1t65 s LEU 821 Cb 0.00 -3.46 0.18 0.00 0.03 0.00 0.00 46.19 42.93 1t65 s LEU 821 CO 0.00 -1.39 1.78 0.11 0.23 0.00 0.00 176.35 177.07 1t65 h LYS 822 N -0.52 0.47 -2.34 1.70 6.56 -1.95 -3.22 116.57 117.26 1t65 h LYS 822 Ca -0.45 -0.03 -0.59 0.00 -1.06 0.00 0.00 60.65 58.52 1t65 h LYS 822 Cb 1.28 -0.11 -0.40 0.00 -0.57 0.00 0.00 32.23 32.43 1t65 h LYS 822 CO 0.62 0.31 -0.81 -1.71 -2.06 0.00 0.00 179.45 175.80 1t65 n ASN 823 N -4.91 1.84 -0.07 0.86 2.85 -1.26 -4.94 115.26 109.62 1t65 n ASN 823 Ca 0.06 -2.99 0.17 0.00 -0.11 0.00 0.00 54.58 51.70 1t65 n ASN 823 Cb 0.17 -0.66 0.59 0.00 1.24 0.00 0.00 39.78 41.12 1t65 n ASN 823 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1t65 h GLN 824 N 4.62 0.21 -0.18 1.20 5.75 -1.94 -2.45 115.11 122.31 1t65 h GLN 824 Ca 0.16 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.65 1t65 h GLN 824 Cb 0.79 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1t65 h GLN 824 CO 0.62 0.14 0.09 0.87 -2.65 0.00 0.00 178.83 177.90 1t65 h LYS 825 N 0.22 0.25 -0.55 1.69 1.79 -1.92 -1.21 116.57 116.85 1t65 h LYS 825 Ca 0.30 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.70 1t65 h LYS 825 Cb 0.87 -0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.45 1t65 h LYS 825 CO -0.06 0.27 0.22 0.74 -1.08 0.00 0.00 179.45 179.54 1t65 h PHE 826 N 0.17 0.79 -0.10 -1.35 0.04 -1.80 -2.28 116.94 112.40 1t65 h PHE 826 Ca 0.06 -0.04 -0.01 0.00 2.80 0.00 0.00 57.97 60.78 1t65 h PHE 826 Cb 0.10 -0.24 -0.00 0.00 2.20 0.00 0.00 35.95 38.00 1t65 h PHE 826 CO -0.03 0.61 0.02 0.35 -0.60 0.00 0.00 178.31 178.66 1t65 h PHE 827 N 0.78 0.16 -0.82 -0.55 3.04 -1.39 -2.09 116.94 116.07 1t65 h PHE 827 Ca 0.19 -0.02 0.06 0.00 3.98 0.00 0.00 57.97 62.18 1t65 h PHE 827 Cb 0.15 -0.05 -0.05 0.00 2.56 0.00 0.00 35.95 38.57 1t65 h PHE 827 CO 0.01 0.33 0.54 -0.44 -2.02 0.00 0.00 178.31 176.73 1t65 h ASP 828 N -0.05 0.81 -0.40 0.41 3.32 -0.94 -1.00 116.42 118.57 1t65 h ASP 828 Ca 0.03 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 1t65 h ASP 828 Cb 0.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1t65 h ASP 828 CO 0.00 0.52 -0.23 -0.08 -1.72 0.00 0.00 179.24 177.73 1t65 h GLU 829 N 0.92 0.86 -0.31 3.56 4.81 -1.27 -2.08 114.58 121.06 1t65 h GLU 829 Ca 0.35 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 1t65 h GLU 829 Cb 0.20 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 1t65 h GLU 829 CO -0.12 1.04 -0.06 1.25 -0.73 0.00 0.00 179.01 180.39 1t65 h LEU 830 N 0.68 0.59 -0.62 1.64 5.85 -0.78 -2.19 115.31 120.49 1t65 h LEU 830 Ca 0.08 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.47 1t65 h LEU 830 Cb 0.80 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1t65 h LEU 830 CO 0.07 0.81 0.40 -0.09 -0.34 0.00 0.00 178.44 179.28 1t65 h ARG 831 N 0.37 0.77 -0.61 1.25 2.43 -1.20 -1.90 114.38 115.49 1t65 h ARG 831 Ca 0.08 -0.05 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1t65 h ARG 831 Cb 0.54 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 1t65 h ARG 831 CO 0.03 0.51 0.36 1.98 -1.51 0.00 0.00 179.97 181.34 1t65 h MET 832 N 0.80 0.82 -0.34 0.20 4.05 -1.23 -1.78 114.93 117.44 1t65 h MET 832 Ca 0.24 -0.07 -0.10 0.00 -0.28 0.00 0.00 59.70 59.48 1t65 h MET 832 Cb -0.04 -0.18 -0.01 0.00 -0.80 0.00 0.00 31.60 30.57 1t65 h MET 832 CO -0.07 0.58 -0.22 -0.91 0.23 0.00 0.00 176.91 176.52 1t65 h ASN 833 N 0.84 0.66 0.58 1.39 2.35 -0.71 -1.65 115.58 119.04 1t65 h ASN 833 Ca 0.22 -0.23 -0.13 0.00 -0.55 0.00 0.00 56.30 55.61 1t65 h ASN 833 Cb -0.03 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.14 1t65 h ASN 833 CO -0.04 0.88 -0.62 1.88 -1.65 0.00 0.00 177.43 177.87 1t65 h TYR 834 N 0.58 0.05 -0.44 1.19 -1.99 -0.83 -1.96 116.97 113.57 1t65 h TYR 834 Ca 0.08 -0.02 -0.14 0.00 2.00 0.00 0.00 58.73 60.65 1t65 h TYR 834 Cb 0.69 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 39.40 1t65 h TYR 834 CO 0.03 0.65 -0.28 0.82 -0.00 0.00 0.00 178.16 179.38 1t65 h ILE 835 N 0.03 1.27 -0.70 -2.88 1.08 -1.09 -2.07 117.51 113.15 1t65 h ILE 835 Ca -0.01 -1.44 -0.04 0.00 -0.39 0.00 0.00 64.86 62.98 1t65 h ILE 835 Cb 1.11 1.24 -0.03 0.00 -3.07 0.00 0.00 36.82 36.07 1t65 h ILE 835 CO 0.08 0.49 0.29 0.50 -0.69 0.00 0.00 178.15 178.82 1t65 h LYS 836 N 0.80 1.03 -0.21 2.37 3.64 -1.07 -1.40 116.57 121.72 1t65 h LYS 836 Ca 0.09 -0.17 -0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1t65 h LYS 836 Cb 0.86 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1t65 h LYS 836 CO 0.08 0.83 -0.25 0.93 -2.27 0.00 0.00 179.45 178.77 1t65 h GLU 837 N 1.01 0.39 -0.51 1.90 4.39 -1.14 -1.63 114.58 118.99 1t65 h GLU 837 Ca 0.24 -0.14 -0.13 0.00 0.34 0.00 0.00 59.36 59.67 1t65 h GLU 837 Cb 0.18 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 1t65 h GLU 837 CO -0.02 0.62 -0.17 1.25 -1.16 0.00 0.00 179.01 179.52 1t65 h LEU 838 N 0.35 1.03 -0.69 1.33 5.85 -0.71 -1.82 115.31 120.66 1t65 h LEU 838 Ca 0.05 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.42 1t65 h LEU 838 Cb 0.63 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1t65 h LEU 838 CO 0.05 1.17 0.45 0.44 -0.34 0.00 0.00 178.44 180.20 1t65 h ASP 839 N 0.88 0.76 -0.55 1.25 3.32 -0.83 -1.84 116.42 119.42 1t65 h ASP 839 Ca 0.12 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.15 1t65 h ASP 839 Cb 0.75 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1t65 h ASP 839 CO 0.06 0.55 0.30 0.03 -1.72 0.00 0.00 179.24 178.45 1t65 h ARG 840 N 0.90 0.76 -0.44 3.56 3.08 -0.99 -1.13 114.38 120.13 1t65 h ARG 840 Ca 0.26 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.16 1t65 h ARG 840 Cb -0.07 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1t65 h ARG 840 CO -0.07 0.59 0.04 0.97 -1.07 0.00 0.00 179.97 180.43 1t65 h ILE 841 N 0.73 1.22 -0.23 2.04 2.10 -1.08 -2.07 117.51 120.22 1t65 h ILE 841 Ca 0.19 -0.85 -0.13 0.00 1.08 0.00 0.00 64.86 65.15 1t65 h ILE 841 Cb 0.05 0.84 -0.01 0.00 -1.09 0.00 0.00 36.82 36.61 1t65 h ILE 841 CO -0.03 0.30 -0.40 0.40 -1.08 0.00 0.00 178.15 177.34 1t65 h ILE 842 N 0.65 1.30 0.00 2.19 2.04 -0.91 -3.10 117.51 119.68 1t65 h ILE 842 Ca 0.14 -1.56 0.00 0.00 1.00 0.00 0.00 64.86 64.44 1t65 h ILE 842 Cb 0.35 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1t65 h ILE 842 CO 0.01 0.49 -0.06 0.00 0.00 0.00 0.00 178.15 178.58 1t65 n ALA 843 N -2.50 2.38 -0.25 1.87 0.00 -0.47 -4.14 120.51 117.41 1t65 n ALA 843 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1t65 n ALA 843 Cb 0.51 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.52 1t65 n ALA 843 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1t65 n LYS 845 N -2.40 1.99 -4.01 0.00 4.01 -1.26 -4.84 118.16 111.64 1t65 n LYS 845 Ca 0.00 -1.51 -0.35 0.00 -0.51 0.00 0.00 58.31 55.93 1t65 n LYS 845 Cb 0.00 -1.40 -0.13 0.00 -0.51 0.00 0.00 35.03 33.00 1t65 n LYS 845 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 1t65 s ARG 846 N -1.58 3.60 -0.38 1.97 0.52 -0.99 -4.99 118.95 117.11 1t65 s ARG 846 Ca 0.32 -0.52 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 1t65 s ARG 846 Cb 0.18 -3.11 0.46 0.00 0.52 0.00 0.00 34.95 33.00 1t65 s ARG 846 CO 0.25 -0.03 1.42 1.17 0.02 0.00 0.00 175.30 178.12 1t65 n LYS 847 N 4.38 3.17 -3.70 3.54 3.00 -1.26 -4.73 118.16 122.56 1t65 n LYS 847 Ca -0.17 -3.85 -0.12 0.00 -0.00 0.00 0.00 58.31 54.18 1t65 n LYS 847 Cb 0.52 -2.22 -0.12 0.00 0.00 0.00 0.00 35.03 33.21 1t65 n LYS 847 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 1t65 s ASN 848 N -3.07 -0.29 0.27 3.14 2.47 -1.26 -5.06 114.94 111.15 1t65 s ASN 848 Ca 0.53 0.70 -0.03 0.00 0.42 0.00 0.00 52.86 54.48 1t65 s ASN 848 Cb 0.43 0.63 0.40 0.00 -1.45 0.00 0.00 41.25 41.27 1t65 s ASN 848 CO 0.02 -0.19 1.91 1.55 -3.72 0.00 0.00 177.10 176.68 1t65 h PRO 849 N 7.36 1.16 -0.48 0.43 0.13 -2.00 -2.39 132.00 136.20 1t65 h PRO 849 Ca -0.35 -0.07 -0.09 0.00 -0.87 0.00 0.00 66.00 64.62 1t65 h PRO 849 Cb 1.16 -0.26 -0.02 0.00 0.13 0.00 0.00 31.00 32.01 1t65 h PRO 849 CO 0.30 0.77 -0.06 1.15 -0.23 0.00 0.00 178.00 179.93 1t65 h THR 850 N 1.19 1.26 -0.47 1.56 2.02 -1.99 -0.48 112.91 116.00 1t65 h THR 850 Ca 0.39 -1.12 -0.13 0.00 0.77 0.00 0.00 66.41 66.32 1t65 h THR 850 Cb 0.04 0.95 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 1t65 h THR 850 CO -0.13 0.39 -0.20 0.77 0.37 0.00 0.00 175.52 176.72 1t65 h SER 851 N 0.77 0.98 -0.28 4.18 4.64 -1.90 -1.60 113.55 120.34 1t65 h SER 851 Ca 0.14 -0.36 -0.06 0.00 -0.47 0.00 0.00 61.79 61.03 1t65 h SER 851 Cb 0.55 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 62.36 1t65 h SER 851 CO 0.03 1.15 -0.06 0.00 -0.87 0.00 0.00 176.83 177.08 1t65 h SER 853 N 0.30 0.62 -0.74 0.00 0.02 -0.98 -0.88 113.55 111.90 1t65 h SER 853 Ca 0.07 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 61.00 1t65 h SER 853 Cb 0.53 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1t65 h SER 853 CO 0.03 0.42 0.33 -0.09 -1.14 0.00 0.00 176.83 176.38 1t65 h ARG 854 N 0.75 1.10 -0.41 3.45 2.43 -1.20 -1.83 114.38 118.67 1t65 h ARG 854 Ca 0.27 -0.18 -0.13 0.00 -0.81 0.00 0.00 59.98 59.13 1t65 h ARG 854 Cb 0.06 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.41 1t65 h ARG 854 CO -0.12 0.88 -0.24 -0.09 -1.51 0.00 0.00 179.97 178.88 1t65 h ARG 855 N 1.09 0.89 -0.83 0.20 9.65 -0.93 -2.39 114.38 122.05 1t65 h ARG 855 Ca 0.26 -0.41 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 1t65 h ARG 855 Cb 0.17 -0.02 -0.04 0.00 -1.39 0.00 0.00 29.97 28.69 1t65 h ARG 855 CO -0.03 1.06 0.48 0.35 2.80 0.00 0.00 179.97 184.63 1t65 h PHE 856 N 0.71 1.11 -0.23 2.20 3.57 -0.89 -0.91 116.94 122.50 1t65 h PHE 856 Ca 0.09 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 1t65 h PHE 856 Cb 0.82 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 39.18 1t65 h PHE 856 CO 0.06 0.75 0.14 -0.92 -2.23 0.00 0.00 178.31 176.11 1t65 h TYR 857 N 1.16 0.31 -0.22 0.41 3.20 -1.16 -1.09 116.97 119.58 1t65 h TYR 857 Ca 0.30 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.17 1t65 h TYR 857 Cb -0.02 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.14 1t65 h TYR 857 CO 0.01 0.25 0.14 1.96 -1.64 0.00 0.00 178.16 178.88 1t65 h GLN 858 N 0.28 0.29 -0.30 1.82 4.20 -0.90 -1.95 115.11 118.55 1t65 h GLN 858 Ca 0.08 -0.02 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 1t65 h GLN 858 Cb 0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1t65 h GLN 858 CO -0.02 0.19 -0.33 -0.07 -0.67 0.00 0.00 178.83 177.94 1t65 h LEU 859 N 0.29 0.68 -0.82 1.46 3.38 -1.09 -2.17 115.31 117.04 1t65 h LEU 859 Ca 0.08 -0.27 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1t65 h LEU 859 Cb -0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1t65 h LEU 859 CO -0.02 0.95 -0.52 0.71 0.09 0.00 0.00 178.44 179.65 1t65 h THR 860 N 0.55 1.36 -0.52 0.22 1.35 -1.11 -1.29 112.91 113.47 1t65 h THR 860 Ca 0.06 -1.80 -0.11 0.00 -0.55 0.00 0.00 66.41 64.01 1t65 h THR 860 Cb 0.83 1.90 -0.02 0.00 -1.73 0.00 0.00 68.15 69.13 1t65 h THR 860 CO 0.07 0.53 -0.11 0.11 -0.25 0.00 0.00 175.52 175.87 1t65 h LYS 861 N 0.14 1.00 -0.48 4.72 1.79 -1.18 -1.49 116.57 121.07 1t65 h LYS 861 Ca 0.00 -0.37 -0.05 0.00 -2.18 0.00 0.00 60.65 58.05 1t65 h LYS 861 Cb 0.97 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.54 1t65 h LYS 861 CO 0.08 1.05 0.10 1.25 -1.08 0.00 0.00 179.45 180.85 1t65 h LEU 862 N 0.87 0.73 -0.62 2.94 5.85 -1.15 -2.07 115.31 121.85 1t65 h LEU 862 Ca 0.13 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.59 1t65 h LEU 862 Cb 0.67 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.48 1t65 h LEU 862 CO 0.05 0.78 0.30 -0.07 -0.34 0.00 0.00 178.44 179.16 1t65 h LEU 863 N 0.65 0.81 -1.22 2.25 3.38 -1.11 -2.43 115.31 117.64 1t65 h LEU 863 Ca 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1t65 h LEU 863 Cb 0.35 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.86 1t65 h LEU 863 CO 0.00 0.71 0.31 0.44 0.09 0.00 0.00 178.44 180.00 1t65 h ASP 864 N 0.85 0.76 0.17 -0.43 3.32 -1.10 -2.62 116.42 117.37 1t65 h ASP 864 Ca 0.21 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 1t65 h ASP 864 Cb 0.11 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.47 1t65 h ASP 864 CO -0.03 0.63 -0.02 0.77 -1.72 0.00 0.00 179.24 178.88 1t65 h SER 865 N 0.85 0.00 -0.09 6.45 4.64 -0.86 -2.23 113.55 122.31 1t65 h SER 865 Ca 0.22 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.40 1t65 h SER 865 Cb 0.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 1t65 h SER 865 CO -0.03 0.02 -0.41 0.58 -0.87 0.00 0.00 176.83 176.11 1t65 h VAL 866 N 0.00 1.30 -0.27 0.95 2.07 -1.44 -3.34 116.25 115.52 1t65 h VAL 866 Ca -0.00 -1.59 0.02 0.00 0.82 0.00 0.00 66.70 65.96 1t65 h VAL 866 Cb 0.11 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.39 1t65 h VAL 866 CO 0.00 0.51 0.11 1.56 0.02 0.00 0.00 177.57 179.77 1t65 h GLN 867 N 0.51 0.23 -0.26 1.57 1.08 -1.53 -1.17 115.11 115.54 1t65 h GLN 867 Ca 0.04 -0.01 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 1t65 h GLN 867 Cb 0.93 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.30 1t65 h GLN 867 CO 0.08 0.15 -0.02 -1.35 -0.95 0.00 0.00 178.83 176.74 1t65 h PRO 868 N 0.24 0.40 -0.17 1.46 0.11 -1.71 -1.13 132.00 131.19 1t65 h PRO 868 Ca 0.12 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 1t65 h PRO 868 Cb 0.07 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.11 1t65 h PRO 868 CO -0.10 0.45 -0.02 0.82 -0.21 0.00 0.00 178.00 178.94 1t65 h ILE 869 N 0.39 1.27 -0.80 4.15 2.04 -1.60 -2.40 117.51 120.56 1t65 h ILE 869 Ca 0.09 -0.91 0.01 0.00 1.00 0.00 0.00 64.86 65.04 1t65 h ILE 869 Cb 0.30 1.53 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 1t65 h ILE 869 CO 0.01 0.27 0.53 0.00 0.00 0.00 0.00 178.15 178.96 1t65 h ALA 870 N 0.75 1.44 -0.68 1.87 0.00 -0.89 -2.24 119.26 119.51 1t65 h ALA 870 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1t65 h ALA 870 Cb 0.42 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1t65 h ALA 870 CO 0.01 0.52 0.29 -0.09 0.00 0.00 0.00 179.25 179.98 1t65 h ARG 871 N 1.07 1.00 -0.53 0.00 9.65 -1.03 0.75 114.38 125.31 1t65 h ARG 871 Ca 0.30 -0.17 -0.07 0.00 -1.10 0.00 0.00 59.98 58.94 1t65 h ARG 871 Cb -0.11 -0.17 -0.02 0.00 -1.39 0.00 0.00 29.97 28.28 1t65 h ARG 871 CO -0.07 0.82 0.05 0.93 2.80 0.00 0.00 179.97 184.50 1t65 h GLU 872 N 0.96 0.86 -0.12 0.20 5.08 -0.92 -1.71 114.58 118.93 1t65 h GLU 872 Ca 0.23 -0.22 -0.16 0.00 -1.00 0.00 0.00 59.36 58.21 1t65 h GLU 872 Cb 0.18 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1t65 h GLU 872 CO -0.02 0.83 -0.62 -0.07 -1.00 0.00 0.00 179.01 178.13 1t65 h LEU 873 N 0.81 0.47 -0.55 1.33 3.38 -1.07 -1.49 115.31 118.19 1t65 h LEU 873 Ca 0.16 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1t65 h LEU 873 Cb 0.42 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.01 1t65 h LEU 873 CO 0.01 0.97 0.35 0.45 0.09 0.00 0.00 178.44 180.32 1t65 h HIS 874 N 0.30 0.70 -0.47 1.13 3.86 -0.46 0.23 115.15 120.44 1t65 h HIS 874 Ca -0.01 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.16 1t65 h HIS 874 Cb 1.16 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 29.37 1t65 h HIS 874 CO 0.04 0.45 0.07 0.37 0.86 0.00 0.00 177.93 179.72 1t65 h GLN 875 N 0.74 0.78 -0.16 2.45 5.75 -1.15 -1.83 115.11 121.69 1t65 h GLN 875 Ca 0.20 -0.21 -0.01 0.00 -0.15 0.00 0.00 58.65 58.48 1t65 h GLN 875 Cb -0.06 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.39 1t65 h GLN 875 CO -0.04 0.79 0.06 0.35 -2.65 0.00 0.00 178.83 177.34 1t65 h PHE 876 N 0.65 0.25 -0.13 3.99 3.04 -0.93 -1.85 116.94 121.96 1t65 h PHE 876 Ca 0.14 -0.02 -0.11 0.00 3.98 0.00 0.00 57.97 61.96 1t65 h PHE 876 Cb 0.40 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 38.82 1t65 h PHE 876 CO 0.03 0.33 -0.41 0.00 -2.02 0.00 0.00 178.31 176.24 1t65 h THR 877 N 0.10 1.31 0.11 4.41 1.03 -0.96 -1.36 112.91 117.54 1t65 h THR 877 Ca 0.05 -1.53 -0.01 0.00 -0.01 0.00 0.00 66.41 64.92 1t65 h THR 877 Cb 0.19 1.66 0.00 0.00 -1.07 0.00 0.00 68.15 68.93 1t65 h THR 877 CO -0.00 0.46 -0.05 0.15 -0.01 0.00 0.00 175.52 176.06 1t65 h PHE 878 N 0.25 -0.14 -0.85 0.00 3.57 -1.20 -0.57 116.94 118.00 1t65 h PHE 878 Ca 0.02 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1t65 h PHE 878 Cb 0.83 0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.57 1t65 h PHE 878 CO 0.02 0.04 0.56 -0.44 -2.23 0.00 0.00 178.31 176.26 1t65 h ASP 879 N -0.29 0.96 -0.63 0.41 3.32 -1.22 -2.33 116.42 116.65 1t65 h ASP 879 Ca -0.02 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1t65 h ASP 879 Cb 0.24 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 1t65 h ASP 879 CO 0.02 0.69 0.07 0.25 -1.72 0.00 0.00 179.24 178.55 1t65 h LEU 880 N 1.13 1.02 -0.57 1.55 5.85 -0.96 -2.52 115.31 120.82 1t65 h LEU 880 Ca 0.32 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.73 1t65 h LEU 880 Cb -0.09 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.64 1t65 h LEU 880 CO -0.08 1.04 0.22 0.25 -0.34 0.00 0.00 178.44 179.53 1t65 h LEU 881 N 0.97 0.79 -1.46 2.25 5.85 -0.70 0.41 115.31 123.42 1t65 h LEU 881 Ca 0.19 -0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1t65 h LEU 881 Cb 0.47 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 1t65 h LEU 881 CO 0.02 0.75 0.27 0.40 -0.34 0.00 0.00 178.44 179.54 1t65 h ILE 882 N 0.78 1.14 -0.27 4.05 1.08 -1.24 -2.71 117.51 120.34 1t65 h ILE 882 Ca 0.19 -0.33 0.00 0.00 -0.39 0.00 0.00 64.86 64.33 1t65 h ILE 882 Cb 0.21 0.49 0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1t65 h ILE 882 CO -0.01 0.15 0.00 2.29 -0.69 0.00 0.00 178.15 179.89 1t65 n LYS 883 N -4.43 2.85 -0.23 2.37 2.85 -0.97 -4.73 118.16 115.87 1t65 n LYS 883 Ca 0.04 -2.57 0.12 0.00 -1.05 0.00 0.00 58.31 54.85 1t65 n LYS 883 Cb 0.09 -1.65 0.41 0.00 -0.65 0.00 0.00 35.03 33.23 1t65 n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1t65 h SER 884 N 1.75 0.58 1.01 -5.58 4.64 0.16 -0.80 113.55 115.31 1t65 h SER 884 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1t65 h SER 884 Cb 1.20 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 1t65 h SER 884 CO 0.15 0.31 0.00 1.12 -0.87 0.00 0.00 176.83 177.53 1t65 h HIS 885 N 0.62 0.00 0.00 4.77 2.07 -1.84 -2.14 115.15 118.64 1t65 h HIS 885 Ca 0.41 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.86 1t65 h HIS 885 Cb 0.69 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.66 1t65 h HIS 885 CO -0.00 0.00 -1.05 0.52 -3.07 0.00 0.00 177.93 174.33 1t65 h MET 886 N 0.00 0.00 -0.20 5.12 2.07 -1.51 -3.37 114.93 117.04 1t65 h MET 886 Ca 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.63 1t65 h MET 886 Cb 0.50 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.23 1t65 h MET 886 CO 0.00 0.13 0.00 1.33 1.07 0.00 0.00 176.91 179.44 1t65 n VAL 887 N -2.81 0.67 -3.30 -2.22 0.24 -1.12 -5.01 118.33 104.78 1t65 n VAL 887 Ca -0.03 -0.84 -0.21 0.00 -2.04 0.00 0.00 64.34 61.23 1t65 n VAL 887 Cb 0.66 0.73 0.06 0.00 -1.47 0.00 0.00 33.84 33.82 1t65 n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1t65 n SER 888 N 0.42 -5.80 -4.56 -1.34 7.64 -0.84 -4.62 113.62 104.51 1t65 n SER 888 Ca 0.08 -0.41 -0.35 0.00 1.01 0.00 0.00 58.87 59.21 1t65 n SER 888 Cb 0.35 -4.49 -0.11 0.00 -1.01 0.00 0.00 64.21 58.95 1t65 n SER 888 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1t65 s VAL 889 N -3.23 4.46 -0.07 0.44 1.01 -1.00 -4.83 120.40 117.18 1t65 s VAL 889 Ca 0.44 -0.15 -0.17 0.00 0.00 0.00 0.00 61.98 62.10 1t65 s VAL 889 Cb -0.19 -3.01 -0.05 0.00 0.00 0.00 0.00 36.38 33.13 1t65 s VAL 889 CO 0.54 0.44 0.45 -1.81 0.00 0.00 0.00 175.10 174.73 1t65 s ASP 890 N 0.63 6.73 -0.17 3.32 1.01 -1.26 -4.69 116.67 122.23 1t65 s ASP 890 Ca 0.02 0.87 -0.00 0.00 0.71 0.00 0.00 52.55 54.15 1t65 s ASP 890 Cb -0.13 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1t65 s ASP 890 CO 0.02 0.13 -0.15 -0.36 0.21 0.00 0.00 175.17 175.02 1t65 s PHE 891 N -0.05 2.81 0.84 4.23 0.40 -1.26 -4.68 117.98 120.27 1t65 s PHE 891 Ca 0.25 -1.23 -0.11 0.00 -0.60 0.00 0.00 56.93 55.25 1t65 s PHE 891 Cb -0.16 -1.93 0.10 0.00 0.51 0.00 0.00 43.02 41.54 1t65 s PHE 891 CO 0.11 -0.60 1.11 -2.14 0.70 0.00 0.00 175.22 174.40 1t65 s PRO 892 N 1.08 1.68 0.15 0.24 0.02 -1.26 -4.71 135.00 132.20 1t65 s PRO 892 Ca -0.00 1.23 -0.29 0.00 0.02 0.00 0.00 61.00 61.96 1t65 s PRO 892 Cb -0.14 -1.83 -0.03 0.00 0.02 0.00 0.00 34.50 32.52 1t65 s PRO 892 CO -0.05 -2.07 1.57 1.49 -0.33 0.00 0.00 177.00 177.61 1t65 h GLU 893 N -1.44 -0.34 -0.58 5.54 4.81 -1.99 -1.05 114.58 119.53 1t65 h GLU 893 Ca -0.45 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 58.78 1t65 h GLU 893 Cb 1.25 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.68 1t65 h GLU 893 CO 0.49 -0.23 0.25 0.52 -0.73 0.00 0.00 179.01 179.31 1t65 h MET 894 N -0.35 0.86 -0.36 1.92 2.86 -1.98 -2.28 114.93 115.59 1t65 h MET 894 Ca 0.12 -0.15 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 1t65 h MET 894 Cb 0.59 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.09 1t65 h MET 894 CO -0.58 0.72 0.22 0.52 1.06 0.00 0.00 176.91 178.86 1t65 h MET 895 N 0.80 0.49 -0.94 1.72 2.86 -1.86 -1.48 114.93 116.51 1t65 h MET 895 Ca 0.20 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1t65 h MET 895 Cb 0.18 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.68 1t65 h MET 895 CO -0.02 0.35 0.60 0.00 1.06 0.00 0.00 176.91 178.91 1t65 h ALA 896 N 1.10 1.29 -0.04 6.32 0.00 -1.06 -1.07 119.26 125.81 1t65 h ALA 896 Ca 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1t65 h ALA 896 Cb -0.01 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.39 1t65 h ALA 896 CO -0.03 0.64 -0.01 1.49 0.00 0.00 0.00 179.25 181.35 1t65 h GLU 897 N 1.28 0.08 -0.70 0.00 4.81 -1.12 -2.52 114.58 116.40 1t65 h GLU 897 Ca 0.34 -0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.48 1t65 h GLU 897 Cb -0.11 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 1t65 h GLU 897 CO -0.07 0.41 0.20 0.82 -0.73 0.00 0.00 179.01 179.64 1t65 h ILE 898 N -0.25 1.26 0.00 2.32 2.04 -1.12 -1.44 117.51 120.32 1t65 h ILE 898 Ca 0.01 -0.92 -0.03 0.00 1.00 0.00 0.00 64.86 64.92 1t65 h ILE 898 Cb 0.37 0.51 -0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1t65 h ILE 898 CO 0.00 0.36 -0.16 0.40 0.00 0.00 0.00 178.15 178.75 1t65 h ILE 899 N 1.05 0.35 0.00 -0.67 2.04 -1.24 -0.10 117.51 118.94 1t65 h ILE 899 Ca 0.23 -1.05 0.00 0.00 1.00 0.00 0.00 64.86 65.03 1t65 h ILE 899 Cb 0.33 1.80 0.00 0.00 -0.74 0.00 0.00 36.82 38.21 1t65 h ILE 899 CO -0.00 0.16 -1.64 -1.54 0.00 0.00 0.00 178.15 175.12 1t65 n SER 900 N -3.25 0.30 -0.06 1.72 3.41 -0.95 -4.18 113.62 110.61 1t65 n SER 900 Ca 0.01 -0.09 -0.11 0.00 -0.26 0.00 0.00 58.87 58.42 1t65 n SER 900 Cb 0.44 1.53 -0.05 0.00 -0.26 0.00 0.00 64.21 65.88 1t65 n SER 900 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1t65 n VAL 901 N -2.20 0.69 -0.08 -3.33 0.31 -0.56 -4.72 118.33 108.43 1t65 n VAL 901 Ca -0.02 -0.22 -0.23 0.00 -0.01 0.00 0.00 64.34 63.87 1t65 n VAL 901 Cb 0.53 -1.29 -0.12 0.00 -0.91 0.00 0.00 33.84 32.05 1t65 n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1t65 n GLN 902 N -3.20 0.62 -0.34 5.55 1.13 -0.17 -4.39 117.38 116.59 1t65 n GLN 902 Ca -0.23 0.43 0.06 0.00 -1.94 0.00 0.00 57.00 55.33 1t65 n GLN 902 Cb 0.70 -1.69 0.23 0.00 0.11 0.00 0.00 30.24 29.59 1t65 n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 1t65 h VAL 903 N -0.67 0.89 0.00 5.09 2.07 -1.42 -0.95 116.25 121.26 1t65 h VAL 903 Ca -0.43 -0.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1t65 h VAL 903 Cb 1.57 -0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1t65 h VAL 903 CO -0.16 0.17 -0.02 -0.65 0.02 0.00 0.00 177.57 176.93 1t65 h PRO 904 N 0.91 0.00 -0.14 1.57 0.11 -1.78 -1.17 132.00 131.51 1t65 h PRO 904 Ca 0.48 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 66.46 1t65 h PRO 904 Cb 0.49 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 1t65 h PRO 904 CO -0.28 0.02 -0.46 0.87 -0.21 0.00 0.00 178.00 177.95 1t65 h LYS 905 N 0.00 0.33 0.02 1.05 1.57 -1.37 -0.79 116.57 117.38 1t65 h LYS 905 Ca -0.00 -0.18 -0.20 0.00 -1.87 0.00 0.00 60.65 58.40 1t65 h LYS 905 Cb 0.22 0.01 0.02 0.00 0.08 0.00 0.00 32.23 32.55 1t65 h LYS 905 CO 0.00 0.73 -0.78 0.97 -0.57 0.00 0.00 179.45 179.80 1t65 h ILE 906 N 0.27 1.38 0.00 1.86 2.10 -1.24 -0.19 117.51 121.69 1t65 h ILE 906 Ca 0.02 -2.19 -0.04 0.00 1.08 0.00 0.00 64.86 63.72 1t65 h ILE 906 Cb 0.92 2.60 -0.01 0.00 -1.09 0.00 0.00 36.82 39.24 1t65 h ILE 906 CO 0.08 0.65 -0.21 -0.07 -1.08 0.00 0.00 178.15 177.52 1t65 h LEU 907 N 0.03 0.00 -1.35 2.19 3.38 -1.28 -2.29 115.31 116.00 1t65 h LEU 907 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1t65 h LEU 907 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 1t65 h LEU 907 CO 0.15 0.21 0.00 -1.54 0.09 0.00 0.00 178.44 177.35 1t65 n SER 908 N -4.03 2.01 0.00 -0.43 3.41 -0.31 -4.94 113.62 109.32 1t65 n SER 908 Ca -0.02 -1.81 0.00 0.00 -0.26 0.00 0.00 58.87 56.78 1t65 n SER 908 Cb 0.28 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1t65 n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1t65 n GLY 909 N 1.18 0.60 0.13 5.00 0.00 -0.86 -4.93 105.19 106.31 1t65 n GLY 909 Ca 0.16 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.20 1t65 n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1t65 h LYS 910 N 1.55 0.00 -4.85 1.61 1.57 -1.28 -3.44 116.57 111.72 1t65 h LYS 910 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 1t65 h LYS 910 Cb 0.00 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 31.98 1t65 h LYS 910 CO 0.00 0.44 -0.84 0.08 -0.57 0.00 0.00 179.45 178.56 1t65 s VAL 911 N -2.97 1.51 0.04 0.50 1.01 -0.80 -1.01 120.40 118.67 1t65 s VAL 911 Ca 0.03 -0.69 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1t65 s VAL 911 Cb 0.08 -1.34 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 1t65 s VAL 911 CO 0.76 0.44 -0.07 -0.75 0.00 0.00 0.00 175.10 175.48 1t65 s LYS 912 N 0.58 0.49 0.72 2.72 2.20 -0.41 -4.38 119.74 121.66 1t65 s LYS 912 Ca -0.15 -0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 54.59 1t65 s LYS 912 Cb -0.17 -0.23 0.03 0.00 -1.51 0.00 0.00 37.83 35.96 1t65 s LYS 912 CO 0.05 0.03 1.10 -2.14 -0.36 0.00 0.00 175.35 174.03 1t65 s PRO 913 N -1.57 2.53 -0.42 4.03 0.02 -1.26 -2.15 135.00 136.17 1t65 s PRO 913 Ca -0.11 1.25 -0.15 0.00 0.02 0.00 0.00 61.00 62.01 1t65 s PRO 913 Cb -0.10 -1.93 0.04 0.00 0.02 0.00 0.00 34.50 32.53 1t65 s PRO 913 CO 0.00 -1.44 0.31 0.42 -0.33 0.00 0.00 177.00 175.97 1t65 s ILE 914 N -2.67 5.15 0.20 2.83 1.01 0.75 -4.90 121.20 123.57 1t65 s ILE 914 Ca 0.63 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 60.38 1t65 s ILE 914 Cb -0.18 -3.93 -0.07 0.00 0.01 0.00 0.00 42.46 38.29 1t65 s ILE 914 CO 0.50 -0.38 0.52 -0.31 0.00 0.00 0.00 174.94 175.27 1t65 s TYR 915 N 1.65 3.45 -0.10 3.97 1.51 -1.26 -4.93 117.35 121.63 1t65 s TYR 915 Ca 0.04 0.85 -0.16 0.00 -1.01 0.00 0.00 57.07 56.79 1t65 s TYR 915 Cb -0.21 -2.23 -0.27 0.00 -0.11 0.00 0.00 41.96 39.14 1t65 s TYR 915 CO 0.09 0.31 0.55 0.74 -1.11 0.00 0.00 175.55 176.13 1t65 h PHE 916 N 2.72 0.44 -2.48 2.71 -1.00 -1.96 -3.47 116.94 113.90 1t65 h PHE 916 Ca -0.47 -0.32 -0.55 0.00 2.81 0.00 0.00 57.97 59.44 1t65 h PHE 916 Cb 1.17 -0.02 -0.07 0.00 3.61 0.00 0.00 35.95 40.65 1t65 h PHE 916 CO 0.62 1.55 -0.57 -1.01 -1.61 0.00 0.00 178.31 177.29 1t65 s HIS 917 N -2.48 3.05 -0.47 -0.55 3.76 -1.26 -5.07 115.29 112.28 1t65 s HIS 917 Ca -0.20 -0.09 -0.27 0.00 -0.15 0.00 0.00 55.06 54.35 1t65 s HIS 917 Cb 0.04 -1.42 0.03 0.00 1.11 0.00 0.00 32.58 32.34 1t65 s HIS 917 CO 0.76 0.53 1.03 0.99 -0.85 0.00 0.00 174.74 177.21 1t65 s THR 918 N -1.95 4.33 0.00 1.30 2.01 -1.26 -5.13 115.64 114.95 1t65 s THR 918 Ca 0.31 0.97 0.00 0.00 0.31 0.00 0.00 61.69 63.28 1t65 s THR 918 Cb -0.09 -4.52 0.00 0.00 0.01 0.00 0.00 72.50 67.90 1t65 s THR 918 CO 0.23 -0.93 0.00 0.00 -0.69 0.00 0.00 174.62 173.23