#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pnu n PRO 671 N 0.00 1.89 -0.06 3.69 -0.04 -1.26 -4.71 135.00 134.51 2pnu n PRO 671 Ca 0.00 -1.80 -0.08 0.00 -0.04 0.00 0.00 63.50 61.58 2pnu n PRO 671 Cb 0.00 -2.80 -0.01 0.00 -0.04 0.00 0.00 33.50 30.65 2pnu n PRO 671 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 2pnu h ILE 672 N 4.05 0.41 -0.14 0.52 1.08 -2.06 0.13 117.51 121.50 2pnu h ILE 672 Ca 0.47 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.96 2pnu h ILE 672 Cb 0.49 0.41 -0.02 0.00 -3.07 0.00 0.00 36.82 34.63 2pnu h ILE 672 CO 1.78 0.00 0.03 0.15 -0.69 0.00 0.00 178.15 179.42 2pnu h PHE 673 N -0.22 0.05 -0.42 1.37 3.57 -2.01 -1.64 116.94 117.63 2pnu h PHE 673 Ca 0.14 0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2pnu h PHE 673 Cb 0.44 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 2pnu h PHE 673 CO -0.39 0.02 0.02 -0.07 -2.23 0.00 0.00 178.31 175.65 2pnu h LEU 674 N 0.09 0.63 -0.57 0.59 3.38 -1.88 -1.91 115.31 115.64 2pnu h LEU 674 Ca 0.06 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.92 2pnu h LEU 674 Cb 0.06 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 2pnu h LEU 674 CO -0.09 0.70 0.36 0.78 0.09 0.00 0.00 178.44 180.28 2pnu h ASN 675 N 0.64 0.60 -0.12 -0.43 2.35 -0.28 -1.11 115.58 117.23 2pnu h ASN 675 Ca 0.13 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2pnu h ASN 675 Cb 0.38 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.60 2pnu h ASN 675 CO 0.01 0.43 0.06 0.58 -1.65 0.00 0.00 177.43 176.86 2pnu h VAL 676 N 0.72 1.10 -0.89 2.81 2.07 -0.83 -0.84 116.25 120.38 2pnu h VAL 676 Ca 0.22 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2pnu h VAL 676 Cb -0.03 1.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 2pnu h VAL 676 CO -0.07 0.09 0.59 -0.07 0.02 0.00 0.00 177.57 178.12 2pnu h LEU 677 N 0.08 0.99 -0.31 2.57 3.38 -1.04 -1.58 115.31 119.39 2pnu h LEU 677 Ca 0.04 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2pnu h LEU 677 Cb 0.08 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 2pnu h LEU 677 CO -0.01 0.70 -0.19 -0.08 0.09 0.00 0.00 178.44 178.95 2pnu h GLU 678 N 1.16 0.68 -0.59 1.13 4.57 -1.03 -2.63 114.58 117.87 2pnu h GLU 678 Ca 0.34 -0.32 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2pnu h GLU 678 Cb -0.05 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 28.50 2pnu h GLU 678 CO -0.09 0.92 0.34 0.00 -1.18 0.00 0.00 179.01 179.00 2pnu h ALA 679 N 0.75 1.49 -0.01 2.92 0.00 -0.58 -2.97 119.26 120.86 2pnu h ALA 679 Ca 0.06 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pnu h ALA 679 Cb 0.74 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2pnu h ALA 679 CO 0.05 0.43 -0.47 0.44 0.00 0.00 0.00 179.25 179.70 2pnu n ILE 680 N -4.41 0.00 -1.67 0.00 -5.35 -0.65 -4.93 119.36 102.35 2pnu n ILE 680 Ca 0.06 -0.12 -0.44 0.00 -0.27 0.00 0.00 62.75 61.98 2pnu n ILE 680 Cb 0.08 0.67 -0.04 0.00 -1.74 0.00 0.00 39.64 38.62 2pnu n ILE 680 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 2pnu n GLU 681 N -0.79 2.62 -1.56 6.28 4.07 -1.00 -4.81 120.64 125.45 2pnu n GLU 681 Ca 0.09 0.96 -0.37 0.00 -0.06 0.00 0.00 57.16 57.78 2pnu n GLU 681 Cb 0.37 -2.87 0.06 0.00 -0.06 0.00 0.00 31.44 28.95 2pnu n GLU 681 CO 0.00 0.00 0.00 -2.30 -0.06 0.00 0.00 177.13 174.77 2pnu n PRO 682 N 6.94 0.79 -0.07 5.31 -0.02 -1.26 -5.03 135.00 141.67 2pnu n PRO 682 Ca 0.21 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2pnu n PRO 682 Cb 0.36 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2pnu n PRO 682 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnu n GLY 683 N 1.22 0.05 3.77 -1.23 0.00 -1.26 -5.01 105.19 102.73 2pnu n GLY 683 Ca 0.14 -1.77 -0.41 0.00 0.00 0.00 0.00 46.02 43.98 2pnu n GLY 683 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pnu s VAL 684 N 0.44 2.45 -0.12 1.61 1.01 -1.26 -5.02 120.40 119.51 2pnu s VAL 684 Ca 0.00 0.43 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2pnu s VAL 684 Cb 0.00 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2pnu s VAL 684 CO 0.00 0.09 -0.19 -0.69 0.00 0.00 0.00 175.10 174.31 2pnu s VAL 685 N -0.78 1.77 0.22 2.92 1.01 -1.26 -5.13 120.40 119.14 2pnu s VAL 685 Ca 0.54 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.59 2pnu s VAL 685 Cb -0.43 -1.58 -0.07 0.00 0.00 0.00 0.00 36.38 34.30 2pnu s VAL 685 CO 0.53 0.49 0.57 0.00 0.00 0.00 0.00 175.10 176.70 2pnu n ALA 687 N 0.11 1.81 -0.96 0.00 0.00 -1.26 -4.66 120.51 115.55 2pnu n ALA 687 Ca -0.01 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.71 2pnu n ALA 687 Cb 0.52 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.18 2pnu n ALA 687 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pnu n GLY 688 N 1.48 0.48 3.76 0.00 0.00 -1.26 -4.38 105.19 105.27 2pnu n GLY 688 Ca -0.15 -0.37 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 2pnu n GLY 688 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pnu s HIS 689 N -2.00 2.64 -0.53 1.61 5.04 -1.26 -4.99 115.29 115.80 2pnu s HIS 689 Ca 0.00 1.47 -0.18 0.00 -1.54 0.00 0.00 55.06 54.81 2pnu s HIS 689 Cb 0.00 -3.55 0.08 0.00 0.04 0.00 0.00 32.58 29.15 2pnu s HIS 689 CO 0.00 -2.07 0.59 0.34 -2.34 0.00 0.00 174.74 171.26 2pnu s ASP 690 N -1.19 6.19 0.00 9.88 3.68 -1.26 -4.91 116.67 129.06 2pnu s ASP 690 Ca 0.67 -1.26 0.05 0.00 2.13 0.00 0.00 52.55 54.14 2pnu s ASP 690 Cb -0.33 -2.26 0.24 0.00 -1.45 0.00 0.00 42.92 39.11 2pnu s ASP 690 CO 0.40 -0.91 1.17 0.59 0.13 0.00 0.00 175.17 176.55 2pnu n ASN 691 N 5.93 0.40 0.01 -0.34 3.02 -1.26 -3.05 115.26 119.98 2pnu n ASN 691 Ca -0.09 -1.91 0.11 0.00 -0.03 0.00 0.00 54.58 52.66 2pnu n ASN 691 Cb 0.43 -0.05 -0.11 0.00 -0.61 0.00 0.00 39.78 39.45 2pnu n ASN 691 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2pnu n ASN 692 N -0.33 0.36 -4.86 6.41 3.02 -1.26 -4.94 115.26 113.66 2pnu n ASN 692 Ca 0.05 -0.16 -0.33 0.00 -0.03 0.00 0.00 54.58 54.11 2pnu n ASN 692 Cb 0.07 1.47 -0.06 0.00 -0.61 0.00 0.00 39.78 40.66 2pnu n ASN 692 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2pnu s GLN 693 N -3.37 3.91 0.51 3.52 -1.52 -1.17 -5.05 119.66 116.50 2pnu s GLN 693 Ca -0.03 0.44 -0.22 0.00 -1.95 0.00 0.00 55.36 53.60 2pnu s GLN 693 Cb 0.14 -2.65 -0.06 0.00 -0.22 0.00 0.00 33.01 30.22 2pnu s GLN 693 CO 0.87 0.30 1.29 -1.25 -0.25 0.00 0.00 175.29 176.26 2pnu s PRO 694 N -2.68 3.38 0.32 2.91 0.04 -1.26 -4.93 135.00 132.77 2pnu s PRO 694 Ca 0.47 2.07 -0.29 0.00 0.04 0.00 0.00 61.00 63.30 2pnu s PRO 694 Cb -0.12 -2.32 -0.11 0.00 0.04 0.00 0.00 34.50 32.00 2pnu s PRO 694 CO 0.20 -0.95 1.43 -0.51 0.04 0.00 0.00 177.00 177.21 2pnu s ASP 695 N -1.09 6.56 -0.03 6.66 -0.00 -1.26 -5.01 116.67 122.50 2pnu s ASP 695 Ca 0.68 2.83 -0.16 0.00 -0.00 0.00 0.00 52.55 55.90 2pnu s ASP 695 Cb -0.36 -2.65 0.03 0.00 -0.00 0.00 0.00 42.92 39.94 2pnu s ASP 695 CO 0.43 -0.73 0.35 -0.94 -0.00 0.00 0.00 175.17 174.28 2pnu s SER 696 N -0.03 -0.25 0.15 0.27 1.04 -1.26 -5.06 113.70 108.56 2pnu s SER 696 Ca 0.55 0.19 -0.20 0.00 0.48 0.00 0.00 55.95 56.97 2pnu s SER 696 Cb -0.43 0.36 0.04 0.00 0.10 0.00 0.00 66.02 66.09 2pnu s SER 696 CO 0.53 -0.45 1.66 0.15 0.98 0.00 0.00 173.24 176.11 2pnu h PHE 697 N 3.87 -0.38 -0.49 5.02 3.57 -1.96 -0.40 116.94 126.18 2pnu h PHE 697 Ca -0.29 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.27 2pnu h PHE 697 Cb 1.17 0.21 -0.04 0.00 2.79 0.00 0.00 35.95 40.09 2pnu h PHE 697 CO 0.50 -0.23 0.27 0.00 -2.23 0.00 0.00 178.31 176.63 2pnu h ALA 698 N 1.07 0.62 -0.36 2.41 0.00 -1.86 -0.57 119.26 120.57 2pnu h ALA 698 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.95 2pnu h ALA 698 Cb 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2pnu h ALA 698 CO -0.35 -0.06 -0.22 0.00 0.00 0.00 0.00 179.25 178.62 2pnu h ALA 699 N 1.24 0.51 -0.18 0.00 0.00 -1.83 -1.68 119.26 117.32 2pnu h ALA 699 Ca 0.20 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2pnu h ALA 699 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2pnu h ALA 699 CO -0.12 0.47 0.04 -0.07 0.00 0.00 0.00 179.25 179.57 2pnu h LEU 700 N 0.56 0.28 -1.01 0.00 3.38 -0.88 -1.77 115.31 115.87 2pnu h LEU 700 Ca 0.07 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2pnu h LEU 700 Cb 0.78 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2pnu h LEU 700 CO 0.06 0.45 -0.46 -0.07 0.09 0.00 0.00 178.44 178.51 2pnu h LEU 701 N 0.09 0.07 -0.70 1.67 -0.00 -1.15 -0.69 115.31 114.61 2pnu h LEU 701 Ca 0.06 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.88 57.80 2pnu h LEU 701 Cb 0.29 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.91 2pnu h LEU 701 CO 0.00 0.53 -0.12 0.28 -0.00 0.00 0.00 178.44 179.13 2pnu h SER 702 N 0.06 0.87 0.07 -0.43 0.02 -1.17 0.44 113.55 113.40 2pnu h SER 702 Ca 0.00 -0.28 -0.16 0.00 -0.84 0.00 0.00 61.79 60.51 2pnu h SER 702 Cb 0.84 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2pnu h SER 702 CO 0.06 1.00 -0.58 0.28 -1.14 0.00 0.00 176.83 176.45 2pnu h SER 703 N 0.78 0.59 -0.47 3.07 0.02 -1.02 -1.19 113.55 115.34 2pnu h SER 703 Ca 0.12 -0.33 -0.09 0.00 -0.84 0.00 0.00 61.79 60.65 2pnu h SER 703 Cb 0.64 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 2pnu h SER 703 CO 0.04 1.04 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.66 2pnu h LEU 704 N 0.40 0.90 -0.66 5.07 3.38 -0.79 -0.07 115.31 123.54 2pnu h LEU 704 Ca 0.00 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.61 2pnu h LEU 704 Cb 1.13 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2pnu h LEU 704 CO 0.11 0.99 -0.12 0.78 0.09 0.00 0.00 178.44 180.28 2pnu h ASN 705 N 0.83 0.92 -0.52 -0.43 2.35 -0.72 0.19 115.58 118.20 2pnu h ASN 705 Ca 0.15 -0.30 -0.06 0.00 -0.55 0.00 0.00 56.30 55.54 2pnu h ASN 705 Cb 0.57 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2pnu h ASN 705 CO 0.03 1.05 0.09 -0.08 -1.65 0.00 0.00 177.43 176.87 2pnu h GLU 706 N 0.82 0.86 -0.79 0.81 4.57 -0.93 -0.60 114.58 119.32 2pnu h GLU 706 Ca 0.13 -0.23 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 2pnu h GLU 706 Cb 0.65 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 29.10 2pnu h GLU 706 CO 0.05 0.84 0.40 1.25 -1.18 0.00 0.00 179.01 180.36 2pnu h LEU 707 N 0.75 1.02 -0.32 1.64 5.85 -0.74 -2.08 115.31 121.44 2pnu h LEU 707 Ca 0.16 -0.12 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2pnu h LEU 707 Cb 0.39 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 2pnu h LEU 707 CO 0.01 0.85 0.14 1.23 -0.34 0.00 0.00 178.44 180.33 2pnu h GLY 708 N 1.11 0.42 0.98 3.75 0.00 0.02 0.18 103.07 109.52 2pnu h GLY 708 Ca 0.27 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2pnu h GLY 708 CO -0.04 0.07 0.40 -2.09 0.00 0.00 0.00 176.54 174.88 2pnu h GLU 709 N 0.30 0.78 -0.49 4.80 4.81 -0.79 -0.27 114.58 123.73 2pnu h GLU 709 Ca 0.13 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2pnu h GLU 709 Cb 0.07 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2pnu h GLU 709 CO -0.11 0.52 0.06 0.00 -0.73 0.00 0.00 179.01 178.75 2pnu h ARG 710 N 0.80 0.83 -0.42 1.92 3.08 -0.91 -2.83 114.38 116.85 2pnu h ARG 710 Ca 0.23 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.98 2pnu h ARG 710 Cb -0.07 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2pnu h ARG 710 CO -0.06 0.84 -0.01 1.96 -1.07 0.00 0.00 179.97 181.63 2pnu h GLN 711 N 0.70 0.68 -0.73 0.04 1.08 -0.29 -2.56 115.11 114.03 2pnu h GLN 711 Ca 0.15 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.12 2pnu h GLN 711 Cb 0.43 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.74 2pnu h GLN 711 CO 0.01 0.71 0.23 1.25 -0.95 0.00 0.00 178.83 180.08 2pnu h LEU 712 N 0.64 1.06 -0.53 1.46 5.85 -0.88 0.19 115.31 123.09 2pnu h LEU 712 Ca 0.13 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2pnu h LEU 712 Cb 0.42 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2pnu h LEU 712 CO 0.02 0.98 0.33 0.58 -0.34 0.00 0.00 178.44 180.00 2pnu h VAL 713 N 1.09 1.16 -0.53 1.05 2.07 -1.25 -1.39 116.25 118.45 2pnu h VAL 713 Ca 0.24 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 2pnu h VAL 713 Cb 0.30 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 30.47 2pnu h VAL 713 CO -0.01 0.16 -0.04 0.45 0.02 0.00 0.00 177.57 178.15 2pnu h HIS 714 N 0.72 1.06 -0.65 1.57 3.86 -1.05 -2.86 115.15 117.79 2pnu h HIS 714 Ca 0.19 -0.20 -0.05 0.00 -1.16 0.00 0.00 60.37 59.15 2pnu h HIS 714 Cb -0.03 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.14 2pnu h HIS 714 CO -0.03 0.98 0.21 0.28 0.86 0.00 0.00 177.93 180.23 2pnu h VAL 715 N 0.84 1.24 -0.43 2.45 2.07 -0.31 -0.57 116.25 121.54 2pnu h VAL 715 Ca 0.15 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.82 2pnu h VAL 715 Cb 0.58 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2pnu h VAL 715 CO 0.03 0.32 0.18 0.58 0.02 0.00 0.00 177.57 178.70 2pnu h VAL 716 N 0.96 1.20 -0.62 2.57 2.07 -1.18 0.33 116.25 121.58 2pnu h VAL 716 Ca 0.22 -0.60 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 2pnu h VAL 716 Cb 0.26 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 2pnu h VAL 716 CO -0.01 0.22 0.08 0.11 0.02 0.00 0.00 177.57 177.99 2pnu h LYS 717 N 0.55 1.04 0.30 1.57 1.57 -1.27 -2.20 116.57 118.14 2pnu h LYS 717 Ca 0.14 -0.29 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 2pnu h LYS 717 Cb 0.18 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2pnu h LYS 717 CO -0.01 0.98 -0.14 2.35 -0.57 0.00 0.00 179.45 182.05 2pnu h TRP 718 N 0.95 -0.37 -0.61 -1.35 7.01 -0.91 -2.98 115.95 117.67 2pnu h TRP 718 Ca 0.18 -0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.23 2pnu h TRP 718 Cb 0.46 0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 2pnu h TRP 718 CO 0.03 -0.15 0.34 0.00 -2.79 0.00 0.00 178.44 175.87 2pnu h ALA 719 N 0.14 0.81 0.00 2.65 0.00 -0.88 -1.27 119.26 120.71 2pnu h ALA 719 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pnu h ALA 719 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2pnu h ALA 719 CO 0.07 0.01 0.00 0.87 0.00 0.00 0.00 179.25 180.20 2pnu h LYS 720 N 0.64 0.00 -0.02 0.00 1.57 -1.39 -1.53 116.57 115.84 2pnu h LYS 720 Ca 0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2pnu h LYS 720 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2pnu h LYS 720 CO -0.17 0.00 -0.09 0.00 -0.57 0.00 0.00 179.45 178.62 2pnu n ALA 721 N -1.81 2.70 -1.77 3.86 0.00 -0.50 -4.63 120.51 118.37 2pnu n ALA 721 Ca 0.01 -0.61 -0.38 0.00 0.00 0.00 0.00 53.44 52.46 2pnu n ALA 721 Cb 0.16 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.66 2pnu n ALA 721 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pnu s LEU 722 N -2.11 4.26 0.05 0.00 1.43 -0.58 -4.95 118.68 116.79 2pnu s LEU 722 Ca 0.28 2.14 -0.35 0.00 -1.03 0.00 0.00 54.13 55.17 2pnu s LEU 722 Cb 0.20 -4.01 -0.14 0.00 0.03 0.00 0.00 46.19 42.26 2pnu s LEU 722 CO 0.37 -0.42 1.60 -2.65 0.23 0.00 0.00 176.35 175.47 2pnu n PRO 723 N 0.29 1.84 -0.09 1.29 -0.02 -1.26 -2.14 135.00 134.90 2pnu n PRO 723 Ca 0.03 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.18 2pnu n PRO 723 Cb 0.48 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 2pnu n PRO 723 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pnu n GLY 724 N 3.48 1.92 0.34 -1.23 0.00 -1.26 -4.89 105.19 103.55 2pnu n GLY 724 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 2pnu n GLY 724 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2pnu h PHE 725 N 0.00 1.06 0.00 1.61 3.57 -1.72 -2.14 116.94 119.31 2pnu h PHE 725 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2pnu h PHE 725 Cb 0.00 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.39 2pnu h PHE 725 CO 0.00 0.56 0.00 0.54 -2.23 0.00 0.00 178.31 177.18 2pnu n ARG 726 N -4.57 0.14 0.03 1.11 1.74 -1.26 -1.82 116.66 112.03 2pnu n ARG 726 Ca 0.13 0.20 0.13 0.00 -0.77 0.00 0.00 57.85 57.54 2pnu n ARG 726 Cb 0.16 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.56 2pnu n ARG 726 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pnu n ASN 727 N -1.33 0.35 -4.81 0.55 5.03 -0.81 -4.80 115.26 109.46 2pnu n ASN 727 Ca 0.05 0.37 -0.33 0.00 0.87 0.00 0.00 54.58 55.54 2pnu n ASN 727 Cb 0.10 -0.40 -0.02 0.00 -1.02 0.00 0.00 39.78 38.44 2pnu n ASN 727 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2pnu s LEU 728 N -3.52 3.69 0.45 3.41 1.43 -0.76 -4.97 118.68 118.41 2pnu s LEU 728 Ca 0.12 1.83 -0.25 0.00 -1.03 0.00 0.00 54.13 54.80 2pnu s LEU 728 Cb 0.16 -4.54 -0.09 0.00 0.03 0.00 0.00 46.19 41.75 2pnu s LEU 728 CO 0.59 -0.89 1.27 1.57 0.23 0.00 0.00 176.35 179.13 2pnu n HIS 729 N -1.44 2.11 -0.33 0.29 -0.00 -1.26 -4.73 115.22 109.86 2pnu n HIS 729 Ca 0.09 0.49 0.10 0.00 -0.00 0.00 0.00 57.72 58.39 2pnu n HIS 729 Cb 0.53 -2.37 0.31 0.00 -0.00 0.00 0.00 29.99 28.46 2pnu n HIS 729 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.34 176.62 2pnu h VAL 730 N 1.94 0.83 -0.12 3.57 2.07 -1.93 0.06 116.25 122.67 2pnu h VAL 730 Ca -0.48 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 66.62 2pnu h VAL 730 Cb 1.30 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 2pnu h VAL 730 CO 0.59 0.15 -0.49 0.44 0.02 0.00 0.00 177.57 178.28 2pnu h ASP 731 N 0.84 0.35 0.01 0.57 3.32 -2.01 -2.79 116.42 116.72 2pnu h ASP 731 Ca 0.51 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.26 2pnu h ASP 731 Cb 0.68 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2pnu h ASP 731 CO -0.28 0.79 -0.40 0.44 -1.72 0.00 0.00 179.24 178.08 2pnu h ASP 732 N 0.26 0.52 -0.00 6.45 3.32 -1.41 -2.44 116.42 123.12 2pnu h ASP 732 Ca 0.01 -0.23 0.02 0.00 0.02 0.00 0.00 57.03 56.85 2pnu h ASP 732 Cb 0.96 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.34 2pnu h ASP 732 CO 0.08 0.86 -0.09 1.56 -1.72 0.00 0.00 179.24 179.93 2pnu h GLN 733 N 0.41 -0.15 -0.17 3.56 4.20 -0.79 0.99 115.11 123.16 2pnu h GLN 733 Ca 0.04 0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.64 2pnu h GLN 733 Cb 0.87 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2pnu h GLN 733 CO 0.07 -0.10 -0.42 1.98 -0.67 0.00 0.00 178.83 179.70 2pnu h MET 734 N -0.16 0.39 0.15 1.46 4.05 -1.52 -2.15 114.93 117.16 2pnu h MET 734 Ca 0.04 -0.20 -0.01 0.00 -0.28 0.00 0.00 59.70 59.25 2pnu h MET 734 Cb 0.20 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.01 2pnu h MET 734 CO -0.09 0.75 -0.07 0.00 0.23 0.00 0.00 176.91 177.72 2pnu h ALA 735 N 1.23 -0.20 -0.99 0.39 0.00 -1.10 -0.44 119.26 118.15 2pnu h ALA 735 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2pnu h ALA 735 Cb 0.87 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.69 2pnu h ALA 735 CO 0.07 -0.55 0.64 0.28 0.00 0.00 0.00 179.25 179.69 2pnu h VAL 736 N -0.33 1.26 -0.17 0.00 2.07 -0.77 0.36 116.25 118.68 2pnu h VAL 736 Ca -0.02 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 66.99 2pnu h VAL 736 Cb 0.26 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 2pnu h VAL 736 CO 0.03 0.26 0.05 0.40 0.02 0.00 0.00 177.57 178.33 2pnu h ILE 737 N 1.35 1.19 -0.22 4.57 2.04 -1.24 -1.41 117.51 123.78 2pnu h ILE 737 Ca 0.36 -0.58 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 2pnu h ILE 737 Cb -0.13 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 2pnu h ILE 737 CO -0.08 0.18 -0.32 1.56 0.00 0.00 0.00 178.15 179.50 2pnu h GLN 738 N 0.09 0.46 -0.17 2.37 4.20 -0.64 -0.40 115.11 121.02 2pnu h GLN 738 Ca 0.05 -0.19 -0.20 0.00 0.06 0.00 0.00 58.65 58.37 2pnu h GLN 738 Cb 0.23 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2pnu h GLN 738 CO -0.00 0.73 -0.69 1.88 -0.67 0.00 0.00 178.83 180.08 2pnu h TYR 739 N 0.40 0.92 0.00 2.96 0.05 -0.86 -3.27 116.97 117.17 2pnu h TYR 739 Ca 0.05 -0.38 0.00 0.00 0.05 0.00 0.00 58.73 58.45 2pnu h TYR 739 Cb 0.75 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.34 2pnu h TYR 739 CO 0.02 1.18 -0.51 -1.13 -1.05 0.00 0.00 178.16 176.67 2pnu n SER 740 N -3.93 0.56 -0.18 3.88 3.41 -0.54 -4.49 113.62 112.33 2pnu n SER 740 Ca -0.06 0.00 -0.03 0.00 -0.26 0.00 0.00 58.87 58.53 2pnu n SER 740 Cb 0.69 0.13 0.04 0.00 -0.26 0.00 0.00 64.21 64.81 2pnu n SER 740 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 2pnu h TRP 741 N 0.00 -0.49 -0.43 7.33 7.01 -1.12 -0.77 115.95 127.48 2pnu h TRP 741 Ca 0.00 0.06 0.04 0.00 2.11 0.00 0.00 58.89 61.10 2pnu h TRP 741 Cb 0.62 0.30 -0.04 0.00 -2.10 0.00 0.00 29.16 27.94 2pnu h TRP 741 CO 0.00 -0.29 0.20 1.98 -2.79 0.00 0.00 178.44 177.53 2pnu h MET 742 N -0.07 0.38 -0.39 2.65 4.05 -1.81 0.39 114.93 120.13 2pnu h MET 742 Ca 0.26 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 2pnu h MET 742 Cb 0.47 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 2pnu h MET 742 CO -0.60 0.25 0.24 0.78 0.23 0.00 0.00 176.91 177.81 2pnu h GLY 743 N 0.39 0.57 0.79 1.39 0.00 -1.69 -0.03 103.07 104.50 2pnu h GLY 743 Ca 0.19 -0.23 0.04 0.00 0.00 0.00 0.00 47.33 47.33 2pnu h GLY 743 CO -0.16 0.23 0.31 1.41 0.00 0.00 0.00 176.54 178.33 2pnu h LEU 744 N 0.52 0.48 -0.75 3.11 3.38 -0.61 -1.33 115.31 120.11 2pnu h LEU 744 Ca 0.14 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 58.01 2pnu h LEU 744 Cb -0.01 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2pnu h LEU 744 CO -0.03 0.33 -0.36 0.24 0.09 0.00 0.00 178.44 178.71 2pnu h MET 745 N 0.60 0.53 -0.33 1.13 2.86 -0.56 -0.21 114.93 118.96 2pnu h MET 745 Ca 0.23 -0.25 -0.07 0.00 -2.06 0.00 0.00 59.70 57.55 2pnu h MET 745 Cb 0.09 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 2pnu h MET 745 CO -0.13 0.82 -0.06 0.28 1.06 0.00 0.00 176.91 178.88 2pnu h VAL 746 N 0.45 1.27 -0.17 -2.22 2.07 -0.73 -0.35 116.25 116.57 2pnu h VAL 746 Ca 0.05 -1.09 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 2pnu h VAL 746 Cb 0.84 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.91 2pnu h VAL 746 CO 0.07 0.35 0.04 0.15 0.02 0.00 0.00 177.57 178.20 2pnu h PHE 747 N 0.41 0.29 -0.60 1.57 3.57 -1.13 -0.40 116.94 120.66 2pnu h PHE 747 Ca 0.09 -0.04 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 2pnu h PHE 747 Cb 0.54 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2pnu h PHE 747 CO 0.05 0.42 0.23 0.00 -2.23 0.00 0.00 178.31 176.77 2pnu h ALA 748 N 0.84 0.78 -0.58 2.41 0.00 -1.01 -1.47 119.26 120.23 2pnu h ALA 748 Ca 0.05 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 2pnu h ALA 748 Cb 0.27 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2pnu h ALA 748 CO 0.00 0.40 0.06 1.98 0.00 0.00 0.00 179.25 181.69 2pnu h MET 749 N 0.83 0.96 -0.82 0.00 1.85 -0.96 -0.62 114.93 116.17 2pnu h MET 749 Ca 0.20 -0.26 -0.02 0.00 -0.61 0.00 0.00 59.70 59.01 2pnu h MET 749 Cb 0.22 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.10 2pnu h MET 749 CO -0.01 0.91 0.44 0.78 -0.40 0.00 0.00 176.91 178.62 2pnu h GLY 750 N 1.01 1.23 0.96 1.39 0.00 -0.70 -0.51 103.07 106.45 2pnu h GLY 750 Ca 0.18 -0.57 -0.07 0.00 0.00 0.00 0.00 47.33 46.86 2pnu h GLY 750 CO 0.02 0.55 -0.02 -0.25 0.00 0.00 0.00 176.54 176.83 2pnu h TRP 751 N 1.15 0.80 -0.96 5.60 2.91 -0.78 -1.73 115.95 122.93 2pnu h TRP 751 Ca 0.29 -0.15 0.02 0.00 1.13 0.00 0.00 58.89 60.18 2pnu h TRP 751 Cb 0.05 -0.20 -0.05 0.00 -0.51 0.00 0.00 29.16 28.45 2pnu h TRP 751 CO 0.01 0.82 0.63 0.00 -1.03 0.00 0.00 178.44 178.87 2pnu h ARG 752 N 0.55 1.24 -0.56 2.65 3.08 -0.75 -0.57 114.38 120.02 2pnu h ARG 752 Ca 0.11 -0.07 -0.07 0.00 0.07 0.00 0.00 59.98 60.02 2pnu h ARG 752 Cb 0.51 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2pnu h ARG 752 CO 0.03 0.82 0.07 0.77 -1.07 0.00 0.00 179.97 180.58 2pnu h SER 753 N 1.28 0.87 -0.04 7.04 0.02 -0.87 -0.64 113.55 121.20 2pnu h SER 753 Ca 0.36 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.10 2pnu h SER 753 Cb -0.11 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.20 2pnu h SER 753 CO -0.09 0.90 -0.00 0.15 -1.14 0.00 0.00 176.83 176.64 2pnu h PHE 754 N 0.86 0.08 0.00 3.45 3.57 -0.57 -0.18 116.94 124.15 2pnu h PHE 754 Ca 0.17 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.58 2pnu h PHE 754 Cb 0.42 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2pnu h PHE 754 CO 0.03 0.38 -0.39 1.79 -2.23 0.00 0.00 178.31 177.88 2pnu h THR 755 N -0.24 0.82 0.01 4.41 1.35 -1.03 -2.51 112.91 115.72 2pnu h THR 755 Ca 0.01 -1.69 -0.38 0.00 -0.55 0.00 0.00 66.41 63.80 2pnu h THR 755 Cb 0.35 2.07 -0.07 0.00 -1.73 0.00 0.00 68.15 68.77 2pnu h THR 755 CO 0.00 0.39 -2.42 0.59 -0.25 0.00 0.00 175.52 173.83 2pnu n ASN 756 N -3.40 1.57 -0.74 5.36 3.02 -0.26 -4.72 115.26 116.09 2pnu n ASN 756 Ca 0.01 -0.08 0.04 0.00 -0.03 0.00 0.00 54.58 54.52 2pnu n ASN 756 Cb 0.57 -0.15 0.07 0.00 -0.61 0.00 0.00 39.78 39.67 2pnu n ASN 756 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 2pnu n VAL 757 N -3.17 0.77 -4.20 2.41 0.24 -0.63 -5.01 118.33 108.75 2pnu n VAL 757 Ca -0.42 -1.34 -0.33 0.00 -2.04 0.00 0.00 64.34 60.21 2pnu n VAL 757 Cb 1.03 0.37 -0.04 0.00 -1.47 0.00 0.00 33.84 33.73 2pnu n VAL 757 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 2pnu n ASN 758 N -0.33 -1.68 0.00 -1.34 5.15 -0.85 -0.83 115.26 115.37 2pnu n ASN 758 Ca 0.08 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 2pnu n ASN 758 Cb 0.82 -2.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.54 2pnu n ASN 758 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 2pnu n SER 759 N -2.76 -4.97 -0.20 1.20 7.64 -0.18 -4.84 113.62 109.51 2pnu n SER 759 Ca -0.09 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.71 2pnu n SER 759 Cb 0.57 -2.93 0.02 0.00 -1.01 0.00 0.00 64.21 60.86 2pnu n SER 759 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2pnu h ARG 760 N 0.19 0.92 -5.00 1.43 2.47 -1.23 -3.46 114.38 109.70 2pnu h ARG 760 Ca 0.00 -0.24 -0.43 0.00 -1.26 0.00 0.00 59.98 58.06 2pnu h ARG 760 Cb 0.76 -0.11 -0.14 0.00 -1.65 0.00 0.00 29.97 28.82 2pnu h ARG 760 CO 0.00 0.87 -0.59 -1.64 0.56 0.00 0.00 179.97 179.17 2pnu s MET 761 N -5.24 1.59 -0.36 0.04 -1.94 -1.26 -4.95 119.30 107.18 2pnu s MET 761 Ca -0.12 -1.89 -0.16 0.00 -1.71 0.00 0.00 55.69 51.80 2pnu s MET 761 Cb 0.12 -0.45 -0.00 0.00 2.01 0.00 0.00 34.83 36.51 2pnu s MET 761 CO 0.82 -0.32 0.39 -0.51 -0.01 0.00 0.00 175.02 175.38 2pnu s LEU 762 N -3.42 4.52 -1.24 -0.03 1.43 -0.95 -4.78 118.68 114.23 2pnu s LEU 762 Ca 0.35 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 2pnu s LEU 762 Cb 0.07 -2.37 0.17 0.00 0.03 0.00 0.00 46.19 44.10 2pnu s LEU 762 CO 0.15 -0.40 1.61 0.00 0.23 0.00 0.00 176.35 177.94 2pnu n TYR 763 N 5.45 4.09 -0.29 0.29 9.36 -1.26 -0.55 117.16 134.25 2pnu n TYR 763 Ca -0.08 -3.12 -0.05 0.00 3.32 0.00 0.00 57.90 57.96 2pnu n TYR 763 Cb 0.49 -2.06 0.07 0.00 -0.63 0.00 0.00 39.34 37.21 2pnu n TYR 763 CO 0.00 0.00 0.00 0.74 0.22 0.00 0.00 176.86 177.82 2pnu h PHE 764 N 6.51 1.21 -2.79 2.98 -1.00 -1.77 -3.41 116.94 118.67 2pnu h PHE 764 Ca 0.34 -0.09 0.05 0.00 2.81 0.00 0.00 57.97 61.08 2pnu h PHE 764 Cb 0.77 -0.36 -0.11 0.00 3.61 0.00 0.00 35.95 39.86 2pnu h PHE 764 CO 1.15 0.91 0.30 0.00 -1.61 0.00 0.00 178.31 179.06 2pnu s ALA 765 N -5.56 -1.56 0.46 2.45 0.00 -1.04 -4.96 121.76 111.54 2pnu s ALA 765 Ca -0.12 0.37 0.17 0.00 0.00 0.00 0.00 51.96 52.37 2pnu s ALA 765 Cb 0.16 0.76 1.12 0.00 0.00 0.00 0.00 23.12 25.16 2pnu s ALA 765 CO 0.84 -0.85 1.98 -1.35 0.00 0.00 0.00 175.76 176.38 2pnu h PRO 766 N 2.00 0.30 -0.57 0.00 0.11 -1.89 -0.79 132.00 131.15 2pnu h PRO 766 Ca -0.27 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2pnu h PRO 766 Cb 1.27 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2pnu h PRO 766 CO 0.32 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 177.90 2pnu n ASP 767 N -4.46 4.67 -3.04 -2.05 5.75 -1.26 -4.63 116.55 111.53 2pnu n ASP 767 Ca 0.10 -2.55 -0.16 0.00 -0.01 0.00 0.00 54.79 52.18 2pnu n ASP 767 Cb 0.43 -0.56 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 2pnu n ASP 767 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2pnu n LEU 768 N 0.82 -1.82 -4.47 -2.12 7.94 -0.30 -4.42 117.00 112.63 2pnu n LEU 768 Ca 0.25 -3.74 -0.36 0.00 -1.11 0.00 0.00 56.01 51.04 2pnu n LEU 768 Cb 0.90 0.68 -0.12 0.00 0.53 0.00 0.00 43.42 45.41 2pnu n LEU 768 CO 0.23 1.94 -0.28 -0.69 -1.11 0.00 0.00 177.39 177.48 2pnu s VAL 769 N 0.26 4.35 -0.24 1.96 1.01 -1.24 -2.22 120.40 124.27 2pnu s VAL 769 Ca 0.32 -0.16 -0.22 0.00 0.00 0.00 0.00 61.98 61.91 2pnu s VAL 769 Cb 0.07 -3.02 -0.01 0.00 0.00 0.00 0.00 36.38 33.42 2pnu s VAL 769 CO -0.14 0.35 0.73 -0.36 0.00 0.00 0.00 175.10 175.68 2pnu s PHE 770 N 1.46 3.30 0.66 5.22 0.40 0.29 -4.94 117.98 124.37 2pnu s PHE 770 Ca 0.06 0.98 0.03 0.00 -0.60 0.00 0.00 56.93 57.40 2pnu s PHE 770 Cb -0.15 -2.94 0.12 0.00 0.51 0.00 0.00 43.02 40.57 2pnu s PHE 770 CO 0.03 -0.35 0.91 0.27 0.70 0.00 0.00 175.22 176.78 2pnu n ASN 771 N 5.81 1.57 -0.14 1.36 0.23 -1.26 -2.23 115.26 120.61 2pnu n ASN 771 Ca 0.02 -2.24 0.05 0.00 -0.53 0.00 0.00 54.58 51.88 2pnu n ASN 771 Cb 0.48 -0.56 0.37 0.00 -2.08 0.00 0.00 39.78 37.99 2pnu n ASN 771 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 2pnu h GLU 772 N 0.00 0.70 -0.47 -3.83 4.39 -1.97 -1.83 114.58 111.58 2pnu h GLU 772 Ca -0.30 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.34 2pnu h GLU 772 Cb 1.20 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.67 2pnu h GLU 772 CO 0.36 0.46 0.23 -0.92 -1.16 0.00 0.00 179.01 177.98 2pnu h TYR 773 N 0.72 0.66 -0.17 4.33 3.20 -2.00 -2.24 116.97 121.48 2pnu h TYR 773 Ca 0.27 -0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.00 2pnu h TYR 773 Cb 0.15 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2pnu h TYR 773 CO -0.00 0.52 -0.36 0.00 -1.64 0.00 0.00 178.16 176.68 2pnu h ARG 774 N 0.61 0.36 -0.74 1.82 3.08 -1.80 0.37 114.38 118.08 2pnu h ARG 774 Ca 0.16 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.06 2pnu h ARG 774 Cb 0.10 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.10 2pnu h ARG 774 CO -0.02 0.68 0.49 0.52 -1.07 0.00 0.00 179.97 180.56 2pnu h MET 775 N 0.31 0.98 0.00 0.04 2.86 -1.01 0.34 114.93 118.44 2pnu h MET 775 Ca 0.03 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2pnu h MET 775 Cb 0.78 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.22 2pnu h MET 775 CO 0.06 0.65 -0.07 1.25 1.06 0.00 0.00 176.91 179.86 2pnu h HIS 776 N 1.01 0.07 0.00 -0.22 -0.00 -0.93 -1.65 115.15 113.42 2pnu h HIS 776 Ca 0.27 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 2pnu h HIS 776 Cb -0.11 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.29 2pnu h HIS 776 CO 0.00 0.84 -0.03 0.87 -0.00 0.00 0.00 177.93 179.61 2pnu h LYS 777 N -0.72 0.00 0.00 5.26 1.79 -0.71 -0.88 116.57 121.31 2pnu h LYS 777 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2pnu h LYS 777 Cb 0.86 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 2pnu h LYS 777 CO 0.01 0.03 0.00 -1.13 -1.08 0.00 0.00 179.45 177.29 2pnu n SER 778 N -4.32 0.00 -1.75 0.86 3.41 0.09 -3.77 113.62 108.14 2pnu n SER 778 Ca -0.03 0.31 -0.20 0.00 -0.26 0.00 0.00 58.87 58.70 2pnu n SER 778 Cb 0.12 -0.43 -0.06 0.00 -0.26 0.00 0.00 64.21 63.58 2pnu n SER 778 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2pnu n ARG 779 N -1.43 -1.43 -0.11 4.33 1.74 -0.33 -4.83 116.66 114.60 2pnu n ARG 779 Ca 0.08 1.11 0.09 0.00 -0.77 0.00 0.00 57.85 58.36 2pnu n ARG 779 Cb 0.26 -5.53 0.14 0.00 -1.02 0.00 0.00 32.46 26.31 2pnu n ARG 779 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2pnu n MET 780 N -2.58 1.67 -0.13 5.56 2.81 -1.20 -4.87 117.12 118.38 2pnu n MET 780 Ca -0.21 -2.51 -0.08 0.00 -1.81 0.00 0.00 57.70 53.09 2pnu n MET 780 Cb 0.66 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.65 2pnu n MET 780 CO 0.00 0.00 0.00 -0.92 1.51 0.00 0.00 175.97 176.56 2pnu h TYR 781 N 0.26 -0.98 -0.83 2.03 3.20 -1.59 0.93 116.97 119.98 2pnu h TYR 781 Ca 0.00 0.06 0.06 0.00 3.14 0.00 0.00 58.73 61.99 2pnu h TYR 781 Cb 1.01 0.49 -0.06 0.00 1.54 0.00 0.00 36.73 39.71 2pnu h TYR 781 CO 0.07 -0.40 0.51 0.66 -1.64 0.00 0.00 178.16 177.36 2pnu h SER 782 N -0.26 0.81 -0.62 -2.11 4.64 -1.89 0.11 113.55 114.22 2pnu h SER 782 Ca 0.17 0.02 -0.09 0.00 -0.47 0.00 0.00 61.79 61.42 2pnu h SER 782 Cb 0.55 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.46 2pnu h SER 782 CO -0.56 0.52 0.05 1.56 -0.87 0.00 0.00 176.83 177.53 2pnu h GLN 783 N 0.94 1.07 -0.51 4.77 7.50 -1.71 -2.67 115.11 124.49 2pnu h GLN 783 Ca 0.36 -0.31 -0.04 0.00 0.50 0.00 0.00 58.65 59.16 2pnu h GLN 783 Cb 0.15 -0.11 -0.02 0.00 0.05 0.00 0.00 27.48 27.55 2pnu h GLN 783 CO -0.17 1.01 0.16 0.00 -1.50 0.00 0.00 178.83 178.34 2pnu h VAL 785 N 0.74 1.14 -0.54 0.00 2.07 -0.68 0.14 116.25 119.12 2pnu h VAL 785 Ca 0.17 -0.26 -0.11 0.00 0.82 0.00 0.00 66.70 67.33 2pnu h VAL 785 Cb 0.22 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2pnu h VAL 785 CO -0.01 0.14 -0.08 0.03 0.02 0.00 0.00 177.57 177.67 2pnu h ARG 786 N 0.75 1.00 -0.42 1.57 3.08 -1.18 -1.15 114.38 118.03 2pnu h ARG 786 Ca 0.20 -0.35 -0.10 0.00 0.07 0.00 0.00 59.98 59.80 2pnu h ARG 786 Cb -0.09 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 2pnu h ARG 786 CO -0.04 1.03 -0.15 0.52 -1.07 0.00 0.00 179.97 180.25 2pnu h MET 787 N 0.90 0.79 -0.13 0.04 2.86 -0.77 -1.74 114.93 116.88 2pnu h MET 787 Ca 0.15 -0.29 -0.13 0.00 -2.06 0.00 0.00 59.70 57.37 2pnu h MET 787 Cb 0.63 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.23 2pnu h MET 787 CO 0.04 0.90 -0.48 -0.09 1.06 0.00 0.00 176.91 178.34 2pnu h ARG 788 N 0.71 0.35 -0.56 1.72 2.43 -0.53 -1.83 114.38 116.66 2pnu h ARG 788 Ca 0.11 -0.19 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2pnu h ARG 788 Cb 0.65 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2pnu h ARG 788 CO 0.05 0.76 0.23 1.25 -1.51 0.00 0.00 179.97 180.75 2pnu h HIS 789 N 0.28 0.83 -0.42 2.20 2.76 -0.85 -0.75 115.15 119.20 2pnu h HIS 789 Ca 0.01 -0.06 0.02 0.00 -2.20 0.00 0.00 60.37 58.15 2pnu h HIS 789 Cb 0.96 -0.25 -0.03 0.00 1.55 0.00 0.00 27.41 29.64 2pnu h HIS 789 CO 0.02 0.67 0.25 1.25 -1.30 0.00 0.00 177.93 178.82 2pnu h LEU 790 N 0.76 0.40 -0.84 0.26 5.85 -1.08 -1.85 115.31 118.80 2pnu h LEU 790 Ca 0.19 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.00 2pnu h LEU 790 Cb 0.18 -0.08 -0.07 0.00 0.37 0.00 0.00 40.66 41.06 2pnu h LEU 790 CO -0.02 0.29 0.50 -1.28 -0.34 0.00 0.00 178.44 177.59 2pnu h SER 791 N 0.50 0.74 -0.07 1.25 0.87 -0.75 -1.08 113.55 115.00 2pnu h SER 791 Ca 0.17 0.04 -0.03 0.00 -1.23 0.00 0.00 61.79 60.73 2pnu h SER 791 Cb 0.01 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2pnu h SER 791 CO -0.08 0.44 -0.04 1.56 -0.53 0.00 0.00 176.83 178.18 2pnu h GLN 792 N 0.86 0.28 -0.11 2.24 4.20 -0.38 -2.47 115.11 119.73 2pnu h GLN 792 Ca 0.39 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.02 2pnu h GLN 792 Cb 0.31 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.03 2pnu h GLN 792 CO -0.22 0.34 -0.08 0.93 -0.67 0.00 0.00 178.83 179.13 2pnu h GLU 793 N 0.27 0.16 -0.41 1.46 4.39 -0.52 -0.38 114.58 119.56 2pnu h GLU 793 Ca 0.06 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.71 2pnu h GLU 793 Cb 0.25 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2pnu h GLU 793 CO 0.01 0.25 0.15 0.74 -1.16 0.00 0.00 179.01 179.00 2pnu h PHE 794 N 0.16 0.58 0.06 4.33 0.04 -1.37 0.78 116.94 121.53 2pnu h PHE 794 Ca 0.04 -0.02 -0.10 0.00 2.80 0.00 0.00 57.97 60.68 2pnu h PHE 794 Cb 0.24 -0.18 0.01 0.00 2.20 0.00 0.00 35.95 38.22 2pnu h PHE 794 CO 0.00 0.47 -0.44 0.78 -0.60 0.00 0.00 178.31 178.52 2pnu h GLY 795 N 0.75 0.21 1.32 -1.45 0.00 -1.32 -1.33 103.07 101.25 2pnu h GLY 795 Ca 0.14 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2pnu h GLY 795 CO -0.01 0.43 0.37 1.49 0.00 0.00 0.00 176.54 178.82 2pnu h TRP 796 N -0.59 0.87 -0.02 5.60 6.55 -0.85 -2.19 115.95 125.33 2pnu h TRP 796 Ca -0.07 -0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.76 2pnu h TRP 796 Cb 1.31 -0.28 0.00 0.00 -0.86 0.00 0.00 29.16 29.32 2pnu h TRP 796 CO 0.22 0.60 -0.02 1.28 -1.05 0.00 0.00 178.44 179.47 2pnu n LEU 797 N -4.38 1.72 -3.77 -4.49 4.77 0.25 -4.96 117.00 106.14 2pnu n LEU 797 Ca 0.06 -0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 55.23 2pnu n LEU 797 Cb 0.09 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2pnu n LEU 797 CO 0.37 0.29 -0.12 0.00 -1.33 0.00 0.00 177.39 176.60 2pnu n GLN 798 N 0.31 -3.69 -2.12 3.23 6.02 -0.82 -4.88 117.38 115.43 2pnu n GLN 798 Ca 0.18 0.53 -0.42 0.00 -0.01 0.00 0.00 57.00 57.27 2pnu n GLN 798 Cb 0.40 -4.81 -0.03 0.00 1.02 0.00 0.00 30.24 26.82 2pnu n GLN 798 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2pnu s ILE 799 N -3.73 3.24 0.56 5.09 -1.09 -0.53 -5.00 121.20 119.74 2pnu s ILE 799 Ca 0.09 0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 59.24 2pnu s ILE 799 Cb -0.03 -3.54 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 2pnu s ILE 799 CO 0.84 0.05 0.97 0.42 -1.23 0.00 0.00 174.94 175.99 2pnu s THR 800 N 1.49 4.69 0.45 2.92 -4.23 -1.26 -4.90 115.64 114.81 2pnu s THR 800 Ca 0.66 0.87 0.12 0.00 -1.18 0.00 0.00 61.69 62.16 2pnu s THR 800 Cb -0.37 -3.82 0.28 0.00 1.34 0.00 0.00 72.50 69.93 2pnu s THR 800 CO 0.30 -0.94 2.07 -0.65 -0.54 0.00 0.00 174.62 174.86 2pnu h PRO 801 N 0.19 0.33 -0.13 3.99 0.11 -1.99 -0.42 132.00 134.09 2pnu h PRO 801 Ca -0.45 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2pnu h PRO 801 Cb 1.19 -0.07 0.01 0.00 0.11 0.00 0.00 31.00 32.24 2pnu h PRO 801 CO 0.62 0.22 -0.80 1.96 -0.21 0.00 0.00 178.00 179.79 2pnu h GLN 802 N 0.34 0.72 -0.68 1.05 7.50 -1.99 -1.56 115.11 120.48 2pnu h GLN 802 Ca 0.13 -0.61 -0.07 0.00 0.50 0.00 0.00 58.65 58.60 2pnu h GLN 802 Cb 0.11 0.13 -0.03 0.00 0.05 0.00 0.00 27.48 27.74 2pnu h GLN 802 CO -0.03 1.22 0.15 0.93 -1.50 0.00 0.00 178.83 179.60 2pnu h GLU 803 N 0.48 1.09 -0.06 1.46 5.08 -1.76 -1.81 114.58 119.06 2pnu h GLU 803 Ca -0.06 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.05 2pnu h GLU 803 Cb 1.42 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2pnu h GLU 803 CO 0.16 0.97 -0.03 0.35 -1.00 0.00 0.00 179.01 179.47 2pnu h PHE 804 N 1.03 -0.06 -0.61 4.33 3.57 -0.97 0.37 116.94 124.59 2pnu h PHE 804 Ca 0.21 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.76 2pnu h PHE 804 Cb 0.39 0.04 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 2pnu h PHE 804 CO 0.03 -0.05 0.36 -0.07 -2.23 0.00 0.00 178.31 176.35 2pnu h LEU 805 N -0.02 0.57 -0.56 0.59 3.38 -0.99 -0.02 115.31 118.26 2pnu h LEU 805 Ca 0.03 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 2pnu h LEU 805 Cb 0.07 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2pnu h LEU 805 CO -0.08 0.39 -0.35 0.00 0.09 0.00 0.00 178.44 178.50 2pnu h MET 807 N 0.65 1.02 -0.61 0.00 2.86 -0.57 -1.76 114.93 116.51 2pnu h MET 807 Ca 0.06 -0.30 -0.06 0.00 -2.06 0.00 0.00 59.70 57.34 2pnu h MET 807 Cb 0.89 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.42 2pnu h MET 807 CO 0.08 0.98 0.15 -0.22 1.06 0.00 0.00 176.91 178.96 2pnu h LYS 808 N 0.91 0.98 -0.77 1.72 3.64 -0.90 -1.71 116.57 120.45 2pnu h LYS 808 Ca 0.17 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2pnu h LYS 808 Cb 0.50 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 2pnu h LYS 808 CO 0.02 0.90 0.40 0.00 -2.27 0.00 0.00 179.45 178.50 2pnu h ALA 809 N 1.04 0.98 -0.13 5.00 0.00 -1.19 -2.22 119.26 122.75 2pnu h ALA 809 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2pnu h ALA 809 Cb 0.36 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2pnu h ALA 809 CO 0.00 0.52 -0.14 1.25 0.00 0.00 0.00 179.25 180.88 2pnu h LEU 810 N 1.07 0.19 -1.94 0.00 5.85 -0.91 -2.44 115.31 117.13 2pnu h LEU 810 Ca 0.27 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 2pnu h LEU 810 Cb 0.07 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 2pnu h LEU 810 CO -0.04 0.35 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.33 2pnu h LEU 811 N 0.19 0.02 -1.89 2.25 3.38 -0.67 -0.73 115.31 117.86 2pnu h LEU 811 Ca 0.04 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2pnu h LEU 811 Cb 0.37 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2pnu h LEU 811 CO 0.02 0.04 -0.07 0.25 0.09 0.00 0.00 178.44 178.77 2pnu h LEU 812 N 0.02 0.00 -3.79 1.67 5.85 -1.41 -2.39 115.31 115.25 2pnu h LEU 812 Ca 0.01 0.00 -0.50 0.00 0.84 0.00 0.00 57.88 58.23 2pnu h LEU 812 Cb 0.04 0.00 -0.28 0.00 0.37 0.00 0.00 40.66 40.79 2pnu h LEU 812 CO 0.00 0.07 0.28 0.49 -0.34 0.00 0.00 178.44 178.94 2pnu n PHE 813 N -4.42 2.59 -1.05 1.25 3.72 -0.29 -4.62 117.46 114.64 2pnu n PHE 813 Ca -0.03 -2.28 0.10 0.00 -0.05 0.00 0.00 57.45 55.19 2pnu n PHE 813 Cb 0.15 -0.91 0.15 0.00 -0.94 0.00 0.00 39.48 37.93 2pnu n PHE 813 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 2pnu n SER 814 N -0.98 2.45 -3.63 4.37 7.64 -0.90 -4.93 113.62 117.64 2pnu n SER 814 Ca 0.52 -3.07 -0.01 0.00 1.01 0.00 0.00 58.87 57.31 2pnu n SER 814 Cb 1.03 -0.43 -0.04 0.00 -1.01 0.00 0.00 64.21 63.76 2pnu n SER 814 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2pnu s ILE 815 N -2.85 -0.91 0.18 0.44 2.07 -1.26 -0.07 121.20 118.79 2pnu s ILE 815 Ca 0.32 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.48 2pnu s ILE 815 Cb 0.28 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.86 2pnu s ILE 815 CO 0.03 0.00 0.28 0.27 -1.91 0.00 0.00 174.94 173.61 2pnu s ILE 816 N 2.80 0.05 0.32 2.00 -4.36 -0.87 -4.69 121.20 116.45 2pnu s ILE 816 Ca -0.06 -1.51 -0.29 0.00 -0.26 0.00 0.00 60.65 58.53 2pnu s ILE 816 Cb -0.11 -1.99 -0.11 0.00 1.25 0.00 0.00 42.46 41.50 2pnu s ILE 816 CO -0.19 -0.23 1.45 -2.84 0.24 0.00 0.00 174.94 173.36 2pnu s PRO 817 N -4.00 4.22 0.50 0.37 0.02 -1.26 -1.46 135.00 133.38 2pnu s PRO 817 Ca 0.21 2.41 0.16 0.00 0.02 0.00 0.00 61.00 63.80 2pnu s PRO 817 Cb 0.03 -3.04 1.20 0.00 0.02 0.00 0.00 34.50 32.71 2pnu s PRO 817 CO 0.03 -0.43 2.10 -0.39 -0.33 0.00 0.00 177.00 177.98 2pnu h VAL 818 N 3.20 1.03 -0.07 3.83 -1.51 -1.20 -0.37 116.25 121.16 2pnu h VAL 818 Ca -0.48 -0.18 0.00 0.00 -1.23 0.00 0.00 66.70 64.80 2pnu h VAL 818 Cb 1.23 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 2pnu h VAL 818 CO 0.70 0.05 0.00 0.47 -1.23 0.00 0.00 177.57 177.57 2pnu n ASP 819 N -4.47 1.08 0.00 4.19 8.00 -1.26 -5.03 116.55 119.06 2pnu n ASP 819 Ca -0.03 -1.50 0.00 0.00 0.71 0.00 0.00 54.79 53.98 2pnu n ASP 819 Cb 0.14 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 2pnu n ASP 819 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pnu n GLY 820 N 1.06 -0.63 3.94 0.44 0.00 -0.15 -5.04 105.19 104.82 2pnu n GLY 820 Ca 0.18 -1.64 -0.24 0.00 0.00 0.00 0.00 46.02 44.32 2pnu n GLY 820 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pnu s LEU 821 N -2.39 3.02 0.29 0.99 1.43 -1.26 -4.76 118.68 116.00 2pnu s LEU 821 Ca 0.00 0.31 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 2pnu s LEU 821 Cb 0.00 -3.05 0.49 0.00 0.03 0.00 0.00 46.19 43.66 2pnu s LEU 821 CO 0.00 -1.39 1.92 0.11 0.23 0.00 0.00 176.35 177.22 2pnu h LYS 822 N -0.32 1.04 -2.15 1.70 1.57 -1.97 -2.93 116.57 113.51 2pnu h LYS 822 Ca -0.44 -0.06 -0.56 0.00 -1.87 0.00 0.00 60.65 57.72 2pnu h LYS 822 Cb 1.30 -0.23 -0.41 0.00 0.08 0.00 0.00 32.23 32.97 2pnu h LYS 822 CO 0.57 0.69 -0.83 0.09 -0.57 0.00 0.00 179.45 179.40 2pnu n ASN 823 N -4.48 2.76 0.01 0.86 4.13 -1.26 -4.92 115.26 112.36 2pnu n ASN 823 Ca 0.13 -3.30 0.08 0.00 1.68 0.00 0.00 54.58 53.17 2pnu n ASN 823 Cb 0.17 -0.62 0.49 0.00 -1.54 0.00 0.00 39.78 38.28 2pnu n ASN 823 CO 0.00 0.00 0.00 -0.61 0.28 0.00 0.00 177.26 176.93 2pnu h GLN 824 N 3.48 0.39 -0.59 3.52 5.75 -1.89 -2.63 115.11 123.14 2pnu h GLN 824 Ca 0.13 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.61 2pnu h GLN 824 Cb 0.71 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 2pnu h GLN 824 CO 0.69 0.26 0.36 -0.22 -2.65 0.00 0.00 178.83 177.27 2pnu h LYS 825 N 0.40 0.80 -0.15 1.69 3.64 -1.91 -1.08 116.57 119.97 2pnu h LYS 825 Ca 0.18 -0.07 -0.13 0.00 -1.27 0.00 0.00 60.65 59.35 2pnu h LYS 825 Cb 0.21 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2pnu h LYS 825 CO -0.04 0.57 -0.49 0.35 -2.27 0.00 0.00 179.45 177.57 2pnu h PHE 826 N 0.80 0.47 -0.15 1.91 3.57 -1.88 -2.55 116.94 119.10 2pnu h PHE 826 Ca 0.21 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.56 2pnu h PHE 826 Cb -0.02 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.61 2pnu h PHE 826 CO -0.02 0.80 0.10 0.35 -2.23 0.00 0.00 178.31 177.31 2pnu h PHE 827 N 0.31 0.19 -0.96 0.41 3.57 -1.29 -0.64 116.94 118.52 2pnu h PHE 827 Ca 0.02 0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.63 2pnu h PHE 827 Cb 0.97 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.56 2pnu h PHE 827 CO 0.03 0.13 0.60 -0.44 -2.23 0.00 0.00 178.31 176.39 2pnu h ASP 828 N 0.20 0.89 -0.55 0.41 3.32 -1.05 -0.10 116.42 119.54 2pnu h ASP 828 Ca 0.06 0.04 -0.08 0.00 0.02 0.00 0.00 57.03 57.07 2pnu h ASP 828 Cb -0.02 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.38 2pnu h ASP 828 CO -0.01 0.49 0.03 -0.08 -1.72 0.00 0.00 179.24 177.95 2pnu h GLU 829 N 0.98 0.95 -0.09 3.56 4.81 -0.98 -1.79 114.58 122.02 2pnu h GLU 829 Ca 0.47 -0.29 -0.01 0.00 -0.13 0.00 0.00 59.36 59.40 2pnu h GLU 829 Cb 0.42 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.70 2pnu h GLU 829 CO -0.25 0.94 0.02 -0.07 -0.73 0.00 0.00 179.01 178.92 2pnu h LEU 830 N 0.83 0.13 -0.61 1.64 3.38 -0.21 -2.14 115.31 118.34 2pnu h LEU 830 Ca 0.16 -0.24 0.07 0.00 0.09 0.00 0.00 57.88 57.95 2pnu h LEU 830 Cb 0.50 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 2pnu h LEU 830 CO 0.02 0.34 0.31 -0.09 0.09 0.00 0.00 178.44 179.11 2pnu h ARG 831 N -0.08 0.55 -0.47 1.13 2.43 -1.00 -0.71 114.38 116.23 2pnu h ARG 831 Ca 0.03 -0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.21 2pnu h ARG 831 Cb 0.26 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2pnu h ARG 831 CO 0.00 0.36 0.21 1.98 -1.51 0.00 0.00 179.97 181.02 2pnu h MET 832 N 0.57 0.41 -0.29 0.20 4.05 -1.17 -1.27 114.93 117.42 2pnu h MET 832 Ca 0.28 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.62 2pnu h MET 832 Cb 0.23 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.92 2pnu h MET 832 CO -0.21 0.27 -0.10 -0.91 0.23 0.00 0.00 176.91 176.20 2pnu h ASN 833 N 0.42 0.46 0.56 1.39 -0.26 -0.64 -1.43 115.58 116.07 2pnu h ASN 833 Ca 0.21 -0.11 -0.14 0.00 -0.56 0.00 0.00 56.30 55.70 2pnu h ASN 833 Cb 0.15 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.27 2pnu h ASN 833 CO -0.17 0.60 -0.66 1.88 -1.06 0.00 0.00 177.43 178.02 2pnu h TYR 834 N 0.45 0.12 -0.40 1.19 0.05 -0.65 -1.72 116.97 116.01 2pnu h TYR 834 Ca 0.09 -0.05 -0.13 0.00 0.05 0.00 0.00 58.73 58.69 2pnu h TYR 834 Cb 0.44 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.15 2pnu h TYR 834 CO 0.01 0.72 -0.24 0.82 -1.05 0.00 0.00 178.16 178.42 2pnu h ILE 835 N 0.06 1.28 -0.79 -2.88 2.04 -0.83 -2.36 117.51 114.03 2pnu h ILE 835 Ca -0.01 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.44 2pnu h ILE 835 Cb 1.17 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 38.52 2pnu h ILE 835 CO 0.09 0.47 0.43 0.11 0.00 0.00 0.00 178.15 179.25 2pnu h LYS 836 N 0.68 1.10 -0.16 2.37 1.79 -1.04 -1.13 116.57 120.18 2pnu h LYS 836 Ca 0.08 -0.12 -0.11 0.00 -2.18 0.00 0.00 60.65 58.32 2pnu h LYS 836 Cb 0.82 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.23 2pnu h LYS 836 CO 0.07 0.80 -0.40 0.93 -1.08 0.00 0.00 179.45 179.77 2pnu h GLU 837 N 1.11 0.35 -0.43 3.15 4.39 -1.15 -0.64 114.58 121.37 2pnu h GLU 837 Ca 0.28 -0.17 -0.11 0.00 0.34 0.00 0.00 59.36 59.70 2pnu h GLU 837 Cb 0.02 -0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.66 2pnu h GLU 837 CO -0.05 0.70 -0.15 1.25 -1.16 0.00 0.00 179.01 179.61 2pnu h LEU 838 N 0.30 0.87 -1.41 1.33 5.85 -0.86 -2.10 115.31 119.29 2pnu h LEU 838 Ca 0.03 -0.38 -0.06 0.00 0.84 0.00 0.00 57.88 58.31 2pnu h LEU 838 Cb 0.83 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2pnu h LEU 838 CO 0.07 1.05 -0.25 -0.78 -0.34 0.00 0.00 178.44 178.19 2pnu h ASP 839 N 0.68 0.06 0.15 1.25 -0.00 -1.01 -2.79 116.42 114.77 2pnu h ASP 839 Ca 0.10 -0.02 -0.01 0.00 -0.00 0.00 0.00 57.03 57.11 2pnu h ASP 839 Cb 0.70 -0.02 0.00 0.00 -0.00 0.00 0.00 39.33 40.01 2pnu h ASP 839 CO 0.05 0.32 -0.07 -0.09 -0.00 0.00 0.00 179.24 179.45 2pnu h ARG 840 N 0.06 -0.20 -0.04 0.28 9.65 -0.51 -1.41 114.38 122.22 2pnu h ARG 840 Ca 0.01 0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 2pnu h ARG 840 Cb 0.48 0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 29.10 2pnu h ARG 840 CO 0.03 -0.01 -0.13 -0.84 2.80 0.00 0.00 179.97 181.83 2pnu h ILE 841 N -0.36 1.11 -0.38 1.20 3.07 -1.26 -1.27 117.51 119.63 2pnu h ILE 841 Ca -0.02 -0.52 -0.15 0.00 1.55 0.00 0.00 64.86 65.72 2pnu h ILE 841 Cb 0.28 1.23 -0.01 0.00 -0.27 0.00 0.00 36.82 38.05 2pnu h ILE 841 CO 0.03 0.15 -0.34 0.40 -1.05 0.00 0.00 178.15 177.35 2pnu h ILE 842 N 0.06 1.28 0.00 0.16 2.04 -1.26 -2.99 117.51 116.79 2pnu h ILE 842 Ca 0.01 -1.51 0.00 0.00 1.00 0.00 0.00 64.86 64.36 2pnu h ILE 842 Cb 0.26 1.37 0.00 0.00 -0.74 0.00 0.00 36.82 37.71 2pnu h ILE 842 CO 0.02 0.50 0.00 0.00 0.00 0.00 0.00 178.15 178.67 2pnu h ALA 843 N 0.78 1.00 -0.19 1.87 0.00 -0.49 -3.46 119.26 118.76 2pnu h ALA 843 Ca 0.07 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 2pnu h ALA 843 Cb 0.93 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 2pnu h ALA 843 CO 0.09 0.00 0.15 0.00 0.00 0.00 0.00 179.25 179.48 2pnu n THR 850 N 0.61 0.00 -0.08 0.00 5.66 -1.26 -5.00 114.28 114.21 2pnu n THR 850 Ca 0.12 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.99 2pnu n THR 850 Cb 0.63 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.36 2pnu n THR 850 CO 0.00 0.00 0.00 -1.28 -3.05 0.00 0.00 175.07 170.74 2pnu h SER 851 N 0.00 0.61 -0.75 1.09 0.87 -2.01 -2.39 113.55 110.97 2pnu h SER 851 Ca 0.00 -0.46 0.01 0.00 -1.23 0.00 0.00 61.79 60.11 2pnu h SER 851 Cb 0.00 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.75 2pnu h SER 851 CO 0.00 0.94 0.49 0.00 -0.53 0.00 0.00 176.83 177.74 2pnu h SER 853 N 1.01 -0.01 -0.75 0.00 0.87 -1.97 0.08 113.55 112.79 2pnu h SER 853 Ca 0.27 0.02 0.01 0.00 -1.23 0.00 0.00 61.79 60.87 2pnu h SER 853 Cb -0.12 0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 61.83 2pnu h SER 853 CO -0.06 0.02 0.49 -0.09 -0.53 0.00 0.00 176.83 176.66 2pnu h ARG 854 N 0.07 0.96 -0.36 2.24 2.43 -1.09 -1.62 114.38 117.02 2pnu h ARG 854 Ca 0.06 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2pnu h ARG 854 Cb 0.05 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.37 2pnu h ARG 854 CO -0.08 0.64 0.06 -0.09 -1.51 0.00 0.00 179.97 178.98 2pnu h ARG 855 N 0.99 0.59 -0.84 0.20 9.65 -0.82 -1.38 114.38 122.77 2pnu h ARG 855 Ca 0.28 -0.16 -0.01 0.00 -1.10 0.00 0.00 59.98 58.99 2pnu h ARG 855 Cb -0.09 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.38 2pnu h ARG 855 CO -0.07 0.66 0.47 0.35 2.80 0.00 0.00 179.97 184.17 2pnu h PHE 856 N 0.43 1.14 -0.13 2.20 3.57 -0.76 -0.14 116.94 123.24 2pnu h PHE 856 Ca 0.11 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2pnu h PHE 856 Cb 0.36 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2pnu h PHE 856 CO 0.02 0.78 0.08 -0.92 -2.23 0.00 0.00 178.31 176.04 2pnu h TYR 857 N 1.17 0.18 -0.36 0.41 3.20 -1.04 -1.04 116.97 119.49 2pnu h TYR 857 Ca 0.30 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.16 2pnu h TYR 857 Cb 0.01 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 2pnu h TYR 857 CO 0.01 0.17 0.22 1.96 -1.64 0.00 0.00 178.16 178.88 2pnu h GLN 858 N 0.14 0.48 -0.54 1.82 4.20 -0.70 -1.46 115.11 119.04 2pnu h GLN 858 Ca 0.05 -0.04 -0.11 0.00 0.06 0.00 0.00 58.65 58.61 2pnu h GLN 858 Cb 0.04 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.70 2pnu h GLN 858 CO -0.01 0.35 -0.07 -0.07 -0.67 0.00 0.00 178.83 178.36 2pnu h LEU 859 N 0.47 1.00 -0.99 1.46 3.38 -0.92 -1.17 115.31 118.54 2pnu h LEU 859 Ca 0.13 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 2pnu h LEU 859 Cb -0.01 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2pnu h LEU 859 CO -0.03 1.10 -0.45 0.71 0.09 0.00 0.00 178.44 179.87 2pnu h THR 860 N 0.88 1.33 -0.47 0.22 1.35 -1.11 -0.20 112.91 114.91 2pnu h THR 860 Ca 0.14 -1.59 -0.12 0.00 -0.55 0.00 0.00 66.41 64.30 2pnu h THR 860 Cb 0.63 1.80 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 2pnu h THR 860 CO 0.04 0.46 -0.17 0.11 -0.25 0.00 0.00 175.52 175.72 2pnu h LYS 861 N 0.09 0.95 -0.38 4.72 1.79 -1.01 -0.96 116.57 121.78 2pnu h LYS 861 Ca 0.00 -0.39 -0.03 0.00 -2.18 0.00 0.00 60.65 58.06 2pnu h LYS 861 Cb 0.84 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.43 2pnu h LYS 861 CO 0.06 1.05 0.13 1.25 -1.08 0.00 0.00 179.45 180.86 2pnu h LEU 862 N 0.79 0.54 -0.33 2.94 5.85 -0.81 -2.08 115.31 122.22 2pnu h LEU 862 Ca 0.11 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2pnu h LEU 862 Cb 0.74 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 2pnu h LEU 862 CO 0.06 0.59 0.15 -0.07 -0.34 0.00 0.00 178.44 178.82 2pnu h LEU 863 N 0.46 0.20 -1.53 2.25 3.38 -0.88 -1.87 115.31 117.31 2pnu h LEU 863 Ca 0.12 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.18 2pnu h LEU 863 Cb 0.24 -0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 2pnu h LEU 863 CO -0.01 0.15 0.39 0.44 0.09 0.00 0.00 178.44 179.51 2pnu h ASP 864 N 0.31 0.50 0.54 -0.43 3.32 -0.96 -1.98 116.42 117.73 2pnu h ASP 864 Ca 0.14 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2pnu h ASP 864 Cb 0.08 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.52 2pnu h ASP 864 CO -0.12 0.33 0.00 0.77 -1.72 0.00 0.00 179.24 178.50 2pnu h SER 865 N 0.57 0.00 -0.06 6.45 4.64 -0.63 -2.73 113.55 121.79 2pnu h SER 865 Ca 0.25 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.39 2pnu h SER 865 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2pnu h SER 865 CO -0.07 0.00 -0.62 0.58 -0.87 0.00 0.00 176.83 175.85 2pnu h VAL 866 N 0.00 1.31 -0.27 0.95 2.07 -1.31 -3.33 116.25 115.66 2pnu h VAL 866 Ca 0.00 -1.86 0.06 0.00 0.82 0.00 0.00 66.70 65.72 2pnu h VAL 866 Cb 0.27 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2pnu h VAL 866 CO 0.00 0.58 -0.09 1.56 0.02 0.00 0.00 177.57 179.65 2pnu h GLN 867 N 0.50 -0.03 -0.24 1.57 1.08 -1.61 -0.52 115.11 115.86 2pnu h GLN 867 Ca -0.01 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 2pnu h GLN 867 Cb 1.20 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.62 2pnu h GLN 867 CO 0.12 -0.02 0.02 -1.35 -0.95 0.00 0.00 178.83 176.66 2pnu h PRO 868 N -0.03 0.35 -0.14 1.46 0.11 -1.73 -0.74 132.00 131.28 2pnu h PRO 868 Ca 0.14 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.15 2pnu h PRO 868 Cb 0.23 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 2pnu h PRO 868 CO -0.30 0.36 -0.07 0.82 -0.21 0.00 0.00 178.00 178.61 2pnu h ILE 869 N 0.35 1.32 -0.88 4.15 2.04 -1.50 -2.46 117.51 120.53 2pnu h ILE 869 Ca 0.08 -1.12 0.05 0.00 1.00 0.00 0.00 64.86 64.87 2pnu h ILE 869 Cb 0.20 1.76 -0.06 0.00 -0.74 0.00 0.00 36.82 37.99 2pnu h ILE 869 CO 0.00 0.33 0.56 0.00 0.00 0.00 0.00 178.15 179.04 2pnu h ALA 870 N 0.66 1.19 -0.39 1.87 0.00 -0.68 -2.26 119.26 119.64 2pnu h ALA 870 Ca 0.03 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 54.97 2pnu h ALA 870 Cb 0.54 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2pnu h ALA 870 CO 0.02 0.36 0.12 -0.09 0.00 0.00 0.00 179.25 179.66 2pnu h ARG 871 N 1.06 0.26 -0.61 0.00 9.65 -1.00 0.15 114.38 123.89 2pnu h ARG 871 Ca 0.37 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 59.21 2pnu h ARG 871 Cb 0.08 -0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 28.57 2pnu h ARG 871 CO -0.14 0.17 0.31 0.93 2.80 0.00 0.00 179.97 184.04 2pnu h GLU 872 N 0.27 0.85 -0.06 0.20 5.08 -0.94 -0.87 114.58 119.11 2pnu h GLU 872 Ca 0.18 -0.10 -0.16 0.00 -1.00 0.00 0.00 59.36 58.29 2pnu h GLU 872 Cb 0.19 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2pnu h GLU 872 CO -0.21 0.64 -0.65 -0.07 -1.00 0.00 0.00 179.01 177.73 2pnu h LEU 873 N 0.85 0.29 -0.42 1.33 3.38 -0.89 -0.86 115.31 119.00 2pnu h LEU 873 Ca 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 2pnu h LEU 873 Cb 0.06 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2pnu h LEU 873 CO -0.03 0.86 0.15 0.45 0.09 0.00 0.00 178.44 179.96 2pnu h HIS 874 N 0.18 0.66 -0.35 1.13 3.86 0.09 0.14 115.15 120.87 2pnu h HIS 874 Ca -0.01 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 2pnu h HIS 874 Cb 1.17 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.43 2pnu h HIS 874 CO 0.02 0.59 0.12 0.37 0.86 0.00 0.00 177.93 179.90 2pnu h GLN 875 N 0.54 0.53 -0.28 2.45 5.75 -1.03 -1.05 115.11 122.01 2pnu h GLN 875 Ca 0.14 -0.11 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 2pnu h GLN 875 Cb 0.23 -0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 2pnu h GLN 875 CO -0.01 0.54 0.17 0.35 -2.65 0.00 0.00 178.83 177.23 2pnu h PHE 876 N 0.41 0.37 -0.67 3.99 3.04 -0.93 -0.68 116.94 122.47 2pnu h PHE 876 Ca 0.11 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 2pnu h PHE 876 Cb 0.22 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.58 2pnu h PHE 876 CO 0.00 0.28 0.35 1.15 -2.02 0.00 0.00 178.31 178.07 2pnu h THR 877 N 0.35 1.22 0.16 4.41 2.02 -0.64 -0.16 112.91 120.27 2pnu h THR 877 Ca 0.10 -0.58 -0.01 0.00 0.77 0.00 0.00 66.41 66.69 2pnu h THR 877 Cb 0.02 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 2pnu h THR 877 CO -0.02 0.25 -0.08 0.15 0.37 0.00 0.00 175.52 176.19 2pnu h PHE 878 N 0.93 -0.20 -0.83 3.16 3.57 -0.97 -1.37 116.94 121.22 2pnu h PHE 878 Ca 0.23 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.75 2pnu h PHE 878 Cb 0.08 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2pnu h PHE 878 CO -0.00 0.02 0.55 -0.44 -2.23 0.00 0.00 178.31 176.21 2pnu h ASP 879 N -0.38 0.92 -0.49 0.41 3.32 -0.97 -2.00 116.42 117.22 2pnu h ASP 879 Ca -0.02 -0.02 -0.11 0.00 0.02 0.00 0.00 57.03 56.90 2pnu h ASP 879 Cb 0.30 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 2pnu h ASP 879 CO 0.04 0.65 -0.10 0.25 -1.72 0.00 0.00 179.24 178.36 2pnu h LEU 880 N 1.08 0.97 -0.37 1.55 5.85 -0.83 -2.53 115.31 121.03 2pnu h LEU 880 Ca 0.32 -0.31 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2pnu h LEU 880 Cb -0.05 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2pnu h LEU 880 CO -0.08 1.08 0.13 0.25 -0.34 0.00 0.00 178.44 179.47 2pnu h LEU 881 N 0.87 0.52 -1.97 2.25 5.85 -0.69 0.74 115.31 122.88 2pnu h LEU 881 Ca 0.14 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.70 2pnu h LEU 881 Cb 0.65 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2pnu h LEU 881 CO 0.04 0.57 0.09 0.40 -0.34 0.00 0.00 178.44 179.21 2pnu h ILE 882 N 0.44 0.95 -0.14 4.05 1.08 -1.22 -2.57 117.51 120.11 2pnu h ILE 882 Ca 0.12 -0.01 0.00 0.00 -0.39 0.00 0.00 64.86 64.58 2pnu h ILE 882 Cb 0.22 0.91 0.00 0.00 -3.07 0.00 0.00 36.82 34.88 2pnu h ILE 882 CO -0.01 0.01 0.00 2.29 -0.69 0.00 0.00 178.15 179.75 2pnu n LYS 883 N -4.51 2.69 -0.20 2.37 2.85 -0.97 -4.73 118.16 115.67 2pnu n LYS 883 Ca -0.00 -1.98 0.19 0.00 -1.05 0.00 0.00 58.31 55.46 2pnu n LYS 883 Cb 0.19 -1.25 0.53 0.00 -0.65 0.00 0.00 35.03 33.85 2pnu n LYS 883 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2pnu h SER 884 N 0.83 0.35 0.97 -5.58 4.64 0.93 0.61 113.55 116.30 2pnu h SER 884 Ca 0.00 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2pnu h SER 884 Cb 0.75 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 2pnu h SER 884 CO 0.03 0.16 0.00 0.45 -0.87 0.00 0.00 176.83 176.59 2pnu h HIS 885 N 0.36 0.00 0.00 4.77 3.86 -1.85 -1.21 115.15 121.08 2pnu h HIS 885 Ca 0.43 0.00 -0.14 0.00 -1.16 0.00 0.00 60.37 59.50 2pnu h HIS 885 Cb 1.10 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.55 2pnu h HIS 885 CO -0.00 0.00 -1.69 -1.33 0.86 0.00 0.00 177.93 175.77 2pnu n MET 886 N -2.89 0.64 -0.10 2.45 2.00 0.18 -4.31 117.12 115.09 2pnu n MET 886 Ca 0.01 0.05 0.08 0.00 0.00 0.00 0.00 57.70 57.84 2pnu n MET 886 Cb 0.29 -1.68 0.13 0.00 0.00 0.00 0.00 33.22 31.95 2pnu n MET 886 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2pnu n VAL 887 N -2.67 0.43 -3.13 2.03 0.24 -1.04 -5.02 118.33 109.18 2pnu n VAL 887 Ca -0.11 -0.72 -0.14 0.00 -2.04 0.00 0.00 64.34 61.33 2pnu n VAL 887 Cb 0.79 0.96 0.07 0.00 -1.47 0.00 0.00 33.84 34.19 2pnu n VAL 887 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2pnu n SER 888 N 0.86 -5.56 -0.08 -1.34 7.64 -0.52 -4.65 113.62 109.98 2pnu n SER 888 Ca 0.12 -0.63 -0.12 0.00 1.01 0.00 0.00 58.87 59.24 2pnu n SER 888 Cb 0.43 -4.79 -0.07 0.00 -1.01 0.00 0.00 64.21 58.77 2pnu n SER 888 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2pnu n VAL 889 N -3.20 0.90 0.00 0.44 0.31 -0.86 -4.77 118.33 111.15 2pnu n VAL 889 Ca -0.10 -0.32 0.00 0.00 -0.01 0.00 0.00 64.34 63.91 2pnu n VAL 889 Cb 0.62 -1.20 0.00 0.00 -0.91 0.00 0.00 33.84 32.35 2pnu n VAL 889 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2pnu n ASP 890 N -3.13 0.00 -1.08 4.52 2.03 -1.26 -4.79 116.55 112.84 2pnu n ASP 890 Ca -0.29 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.02 2pnu n ASP 890 Cb 0.78 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.18 2pnu n ASP 890 CO 0.00 0.00 0.00 0.49 -1.92 0.00 0.00 177.20 175.77 2pnu n PHE 891 N 0.00 -2.35 -1.98 -0.67 3.01 -1.26 -4.89 117.46 109.32 2pnu n PHE 891 Ca 0.00 1.33 -0.39 0.00 1.01 0.00 0.00 57.45 59.40 2pnu n PHE 891 Cb 0.00 -2.69 0.00 0.00 -0.01 0.00 0.00 39.48 36.78 2pnu n PHE 891 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 2pnu s PRO 892 N -2.44 3.81 0.30 -1.08 0.04 -1.26 -4.75 135.00 129.62 2pnu s PRO 892 Ca 0.00 2.21 -0.02 0.00 0.04 0.00 0.00 61.00 63.23 2pnu s PRO 892 Cb 0.00 -2.67 0.64 0.00 0.04 0.00 0.00 34.50 32.51 2pnu s PRO 892 CO 0.00 -0.64 1.57 0.93 0.04 0.00 0.00 177.00 178.90 2pnu h GLU 893 N 2.44 0.00 -0.57 4.56 5.08 -2.00 -0.69 114.58 123.41 2pnu h GLU 893 Ca -0.50 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2pnu h GLU 893 Cb 1.26 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 2pnu h GLU 893 CO 0.62 0.00 0.21 1.98 -1.00 0.00 0.00 179.01 180.82 2pnu h MET 894 N 0.00 0.86 -0.52 2.33 4.05 -2.00 -2.35 114.93 117.30 2pnu h MET 894 Ca 0.55 -0.17 -0.06 0.00 -0.28 0.00 0.00 59.70 59.75 2pnu h MET 894 Cb 1.04 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.68 2pnu h MET 894 CO -0.97 0.76 0.10 0.52 0.23 0.00 0.00 176.91 177.55 2pnu h MET 895 N 0.79 0.86 -0.95 0.39 2.86 -1.51 -2.14 114.93 115.23 2pnu h MET 895 Ca 0.19 -0.22 0.05 0.00 -2.06 0.00 0.00 59.70 57.66 2pnu h MET 895 Cb 0.23 -0.10 -0.06 0.00 0.06 0.00 0.00 31.60 31.73 2pnu h MET 895 CO -0.01 0.83 0.62 0.00 1.06 0.00 0.00 176.91 179.41 2pnu h ALA 896 N 0.99 1.44 -0.09 6.32 0.00 -1.20 0.11 119.26 126.82 2pnu h ALA 896 Ca 0.16 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pnu h ALA 896 Cb 0.38 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2pnu h ALA 896 CO 0.01 0.44 -0.01 1.49 0.00 0.00 0.00 179.25 181.18 2pnu h GLU 897 N 1.13 0.17 -0.71 0.00 4.81 -1.12 -1.08 114.58 117.78 2pnu h GLU 897 Ca 0.40 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.54 2pnu h GLU 897 Cb 0.12 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2pnu h GLU 897 CO -0.14 0.45 0.35 0.82 -0.73 0.00 0.00 179.01 179.76 2pnu h ILE 898 N -0.12 1.23 -0.49 2.32 2.04 -0.96 -1.21 117.51 120.32 2pnu h ILE 898 Ca 0.03 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.17 2pnu h ILE 898 Cb 0.38 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2pnu h ILE 898 CO 0.01 0.27 -0.05 0.40 0.00 0.00 0.00 178.15 178.77 2pnu h ILE 899 N 0.99 1.26 0.00 -0.67 2.04 -0.75 0.63 117.51 121.01 2pnu h ILE 899 Ca 0.25 -1.12 -0.06 0.00 1.00 0.00 0.00 64.86 64.93 2pnu h ILE 899 Cb 0.10 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2pnu h ILE 899 CO -0.03 0.39 -0.28 0.77 0.00 0.00 0.00 178.15 179.00 2pnu h SER 900 N 0.78 0.00 0.00 1.72 4.64 -0.89 -3.18 113.55 116.61 2pnu h SER 900 Ca 0.14 0.00 -0.42 0.00 -0.47 0.00 0.00 61.79 61.04 2pnu h SER 900 Cb 0.54 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.56 2pnu h SER 900 CO 0.03 0.28 -2.49 0.52 -0.87 0.00 0.00 176.83 174.30 2pnu n VAL 901 N -3.21 1.48 -0.05 0.95 0.31 -0.48 -4.64 118.33 112.69 2pnu n VAL 901 Ca 0.02 -0.47 -0.22 0.00 -0.01 0.00 0.00 64.34 63.66 2pnu n VAL 901 Cb 0.61 -1.64 -0.13 0.00 -0.91 0.00 0.00 33.84 31.77 2pnu n VAL 901 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2pnu n GLN 902 N -3.73 0.67 -0.34 5.55 1.13 0.20 -4.33 117.38 116.53 2pnu n GLN 902 Ca -0.50 0.37 0.01 0.00 -1.94 0.00 0.00 57.00 54.95 2pnu n GLN 902 Cb 0.93 -1.70 0.15 0.00 0.11 0.00 0.00 30.24 29.73 2pnu n GLN 902 CO 0.00 0.00 0.00 0.28 -1.44 0.00 0.00 177.06 175.90 2pnu h VAL 903 N -0.39 1.09 0.00 5.09 2.07 -1.52 -1.82 116.25 120.77 2pnu h VAL 903 Ca -0.42 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 66.69 2pnu h VAL 903 Cb 1.73 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 2pnu h VAL 903 CO -0.06 0.20 -0.13 -0.65 0.02 0.00 0.00 177.57 176.95 2pnu h PRO 904 N 1.10 0.00 -0.54 1.57 0.11 -1.78 -0.97 132.00 131.49 2pnu h PRO 904 Ca 0.40 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.44 2pnu h PRO 904 Cb 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.22 2pnu h PRO 904 CO -0.16 0.13 0.05 0.87 -0.21 0.00 0.00 178.00 178.68 2pnu h LYS 905 N 0.00 0.88 -0.00 1.05 1.57 -1.52 0.75 116.57 119.29 2pnu h LYS 905 Ca -0.00 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2pnu h LYS 905 Cb 0.31 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2pnu h LYS 905 CO 0.02 0.85 -0.00 0.82 -0.57 0.00 0.00 179.45 180.56 2pnu h ILE 906 N 0.83 1.45 -0.15 1.86 2.04 -1.21 0.15 117.51 122.48 2pnu h ILE 906 Ca 0.16 -1.33 -0.04 0.00 1.00 0.00 0.00 64.86 64.66 2pnu h ILE 906 Cb 0.42 2.35 -0.01 0.00 -0.74 0.00 0.00 36.82 38.84 2pnu h ILE 906 CO 0.01 0.34 -0.07 -0.07 0.00 0.00 0.00 178.15 178.37 2pnu h LEU 907 N -0.56 0.21 -0.31 1.44 3.38 -1.10 -2.00 115.31 116.37 2pnu h LEU 907 Ca 0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2pnu h LEU 907 Cb 0.57 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2pnu h LEU 907 CO 0.00 0.31 -0.12 -1.54 0.09 0.00 0.00 178.44 177.18 2pnu n SER 908 N -4.34 0.61 0.00 -0.43 3.41 0.24 -4.94 113.62 108.17 2pnu n SER 908 Ca -0.01 -0.71 0.00 0.00 -0.26 0.00 0.00 58.87 57.89 2pnu n SER 908 Cb 0.22 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2pnu n SER 908 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pnu n GLY 909 N 1.27 0.75 0.13 5.00 0.00 -0.75 -4.93 105.19 106.65 2pnu n GLY 909 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2pnu n GLY 909 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pnu h LYS 910 N 3.03 0.00 -5.09 1.61 1.57 -0.96 -3.42 116.57 113.31 2pnu h LYS 910 Ca 0.00 0.00 -0.66 0.00 -1.87 0.00 0.00 60.65 58.12 2pnu h LYS 910 Cb 0.00 0.00 -0.34 0.00 0.08 0.00 0.00 32.23 31.97 2pnu h LYS 910 CO 0.00 0.64 -0.86 0.08 -0.57 0.00 0.00 179.45 178.74 2pnu s VAL 911 N -3.35 1.96 0.07 0.50 1.01 -0.65 -0.67 120.40 119.27 2pnu s VAL 911 Ca -0.00 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.13 2pnu s VAL 911 Cb 0.11 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.72 2pnu s VAL 911 CO 0.76 0.53 -0.17 -0.54 0.00 0.00 0.00 175.10 175.68 2pnu s LYS 912 N 0.93 1.00 0.62 2.72 1.02 -0.53 -4.31 119.74 121.19 2pnu s LYS 912 Ca -0.05 -0.97 -0.16 0.00 0.02 0.00 0.00 55.97 54.80 2pnu s LYS 912 Cb -0.15 -1.11 -0.02 0.00 -0.52 0.00 0.00 37.83 36.03 2pnu s LYS 912 CO -0.04 0.26 1.11 -1.25 -0.92 0.00 0.00 175.35 174.51 2pnu s PRO 913 N -1.60 3.02 -0.34 -1.68 0.04 -1.26 -2.04 135.00 131.13 2pnu s PRO 913 Ca 0.02 1.44 -0.14 0.00 0.04 0.00 0.00 61.00 62.36 2pnu s PRO 913 Cb -0.09 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 2pnu s PRO 913 CO 0.03 -1.09 0.32 0.42 0.04 0.00 0.00 177.00 176.71 2pnu s ILE 914 N -2.18 5.21 0.07 0.56 1.01 0.90 -4.90 121.20 121.87 2pnu s ILE 914 Ca 0.68 -0.06 -0.01 0.00 0.00 0.00 0.00 60.65 61.26 2pnu s ILE 914 Cb -0.21 -3.78 -0.04 0.00 0.01 0.00 0.00 42.46 38.43 2pnu s ILE 914 CO 0.37 -0.06 0.24 -0.31 0.00 0.00 0.00 174.94 175.18 2pnu s TYR 915 N 1.90 3.51 -0.13 3.97 1.51 -1.26 -4.86 117.35 121.99 2pnu s TYR 915 Ca 0.10 0.33 -0.26 0.00 -1.01 0.00 0.00 57.07 56.22 2pnu s TYR 915 Cb -0.17 -1.82 -0.26 0.00 -0.11 0.00 0.00 41.96 39.60 2pnu s TYR 915 CO 0.11 0.56 0.71 0.74 -1.11 0.00 0.00 175.55 176.56 2pnu h PHE 916 N 3.11 0.11 -2.89 2.71 0.04 -1.98 -3.46 116.94 114.59 2pnu h PHE 916 Ca -0.46 -0.08 -0.60 0.00 2.80 0.00 0.00 57.97 59.63 2pnu h PHE 916 Cb 1.16 -0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.25 2pnu h PHE 916 CO 0.62 1.15 -0.53 -1.01 -0.60 0.00 0.00 178.31 177.93 2pnu s HIS 917 N -2.29 3.37 -0.01 -0.55 3.76 -1.26 -5.06 115.29 113.25 2pnu s HIS 917 Ca -0.19 0.14 -0.30 0.00 -0.15 0.00 0.00 55.06 54.55 2pnu s HIS 917 Cb -0.01 -1.67 -0.05 0.00 1.11 0.00 0.00 32.58 31.96 2pnu s HIS 917 CO 0.70 0.55 1.33 0.95 -0.85 0.00 0.00 174.74 177.42 2pnu s THR 918 N -1.55 3.88 -2.06 1.30 -4.23 -1.26 -5.12 115.64 106.60 2pnu s THR 918 Ca 0.33 1.26 0.32 0.00 -1.18 0.00 0.00 61.69 62.41 2pnu s THR 918 Cb -0.12 -3.81 0.87 0.00 1.34 0.00 0.00 72.50 70.78 2pnu s THR 918 CO 0.26 0.01 2.17 0.00 -0.54 0.00 0.00 174.62 176.52