#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wb4 s PHE 804 N 0.00 3.27 -0.06 0.66 5.36 -1.26 -5.03 117.98 120.91 1wb4 s PHE 804 Ca 0.00 1.25 0.02 0.00 -0.96 0.00 0.00 56.93 57.24 1wb4 s PHE 804 Cb 0.00 -3.59 0.01 0.00 -0.34 0.00 0.00 43.02 39.11 1wb4 s PHE 804 CO 0.00 -1.80 -0.11 0.15 -1.46 0.00 0.00 175.22 172.00 1wb4 s LYS 805 N -0.21 1.54 0.31 10.12 -0.14 -1.26 -4.41 119.74 125.69 1wb4 s LYS 805 Ca 0.56 -0.36 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 1wb4 s LYS 805 Cb -0.36 -1.30 -0.11 0.00 -1.68 0.00 0.00 37.83 34.38 1wb4 s LYS 805 CO 0.39 0.01 1.57 0.71 -0.76 0.00 0.00 175.35 177.26 1wb4 s TYR 806 N 0.71 2.74 0.17 3.18 2.02 -1.26 -5.04 117.35 119.87 1wb4 s TYR 806 Ca -0.14 0.87 0.04 0.00 -0.37 0.00 0.00 57.07 57.47 1wb4 s TYR 806 Cb -0.16 -4.05 -0.04 0.00 -0.40 0.00 0.00 41.96 37.32 1wb4 s TYR 806 CO 0.03 -3.43 0.24 -1.21 -1.57 0.00 0.00 175.55 169.61 1wb4 s GLU 807 N -0.79 3.22 0.27 -0.62 2.02 -1.26 -4.97 118.70 116.57 1wb4 s GLU 807 Ca 0.61 -0.75 0.20 0.00 0.02 0.00 0.00 54.97 55.05 1wb4 s GLU 807 Cb -0.47 -2.82 0.10 0.00 0.10 0.00 0.00 34.13 31.04 1wb4 s GLU 807 CO 0.50 0.49 1.28 0.66 0.02 0.00 0.00 175.26 178.22 1wb4 h SER 808 N 2.05 0.00 -1.88 -0.19 4.64 -1.96 -2.77 113.55 113.44 1wb4 h SER 808 Ca -0.49 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.31 1wb4 h SER 808 Cb 1.20 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.92 1wb4 h SER 808 CO 0.65 0.23 -1.09 0.00 -0.87 0.00 0.00 176.83 175.75 1wb4 n ALA 809 N -2.21 2.12 -1.71 5.18 0.00 -1.26 -1.65 120.51 120.98 1wb4 n ALA 809 Ca 0.00 -3.28 -0.42 0.00 0.00 0.00 0.00 53.44 49.73 1wb4 n ALA 809 Cb 0.64 -0.86 -0.01 0.00 0.00 0.00 0.00 19.45 19.22 1wb4 n ALA 809 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1wb4 n VAL 810 N 1.17 2.00 -4.08 0.00 3.14 -1.26 -4.98 118.33 114.31 1wb4 n VAL 810 Ca 0.21 -0.50 -0.27 0.00 -2.96 0.00 0.00 64.34 60.82 1wb4 n VAL 810 Cb 0.56 -1.65 -0.06 0.00 -1.06 0.00 0.00 33.84 31.63 1wb4 n VAL 810 CO 0.00 0.00 0.00 -1.10 -6.46 0.00 0.00 176.83 169.27 1wb4 s GLN 811 N -1.92 2.87 0.27 1.45 -1.52 -1.26 -4.95 119.66 114.60 1wb4 s GLN 811 Ca 0.55 -0.86 -0.31 0.00 -1.95 0.00 0.00 55.36 52.80 1wb4 s GLN 811 Cb -0.55 -2.64 -0.12 0.00 -0.22 0.00 0.00 33.01 29.48 1wb4 s GLN 811 CO 0.63 0.49 1.64 0.98 -0.25 0.00 0.00 175.29 178.78 1wb4 n TYR 812 N -0.22 2.86 -3.65 0.91 9.36 -1.26 -5.01 117.16 120.15 1wb4 n TYR 812 Ca -0.08 0.18 -0.10 0.00 3.32 0.00 0.00 57.90 61.22 1wb4 n TYR 812 Cb 0.54 -2.63 -0.11 0.00 -0.63 0.00 0.00 39.34 36.52 1wb4 n TYR 812 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 1wb4 s ARG 813 N -0.02 0.27 0.64 2.98 3.52 -1.26 -5.02 118.95 120.06 1wb4 s ARG 813 Ca 0.67 0.95 -0.17 0.00 -0.13 0.00 0.00 55.73 57.05 1wb4 s ARG 813 Cb -0.49 0.22 -0.01 0.00 -1.56 0.00 0.00 34.95 33.10 1wb4 s ARG 813 CO 0.44 -0.27 1.19 -1.25 -0.81 0.00 0.00 175.30 174.60 1wb4 s PRO 814 N 2.56 2.75 0.58 5.12 0.04 -1.26 -4.73 135.00 140.05 1wb4 s PRO 814 Ca -0.01 1.74 -0.20 0.00 0.04 0.00 0.00 61.00 62.58 1wb4 s PRO 814 Cb -0.12 -1.91 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 1wb4 s PRO 814 CO -0.12 -1.36 1.23 0.00 0.04 0.00 0.00 177.00 176.79 1wb4 n ALA 815 N -1.98 1.05 -1.29 8.56 0.00 -1.26 -4.95 120.51 120.63 1wb4 n ALA 815 Ca 0.13 0.07 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 1wb4 n ALA 815 Cb 0.50 -2.27 0.07 0.00 0.00 0.00 0.00 19.45 17.75 1wb4 n ALA 815 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1wb4 n PRO 816 N -1.18 0.35 0.03 0.00 -0.02 -1.26 -4.85 135.00 128.07 1wb4 n PRO 816 Ca 0.13 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 1wb4 n PRO 816 Cb 0.46 -1.91 0.49 0.00 -0.02 0.00 0.00 33.50 32.52 1wb4 n PRO 816 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1wb4 h ASP 817 N -0.32 0.35 0.22 2.55 3.45 -2.03 0.55 116.42 121.19 1wb4 h ASP 817 Ca -0.46 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 56.99 1wb4 h ASP 817 Cb 1.35 -0.08 -0.00 0.00 -0.56 0.00 0.00 39.33 40.04 1wb4 h ASP 817 CO 0.44 0.24 -0.02 0.77 -1.57 0.00 0.00 179.24 179.09 1wb4 h SER 818 N 0.40 0.00 0.83 6.45 4.64 -1.97 -2.19 113.55 121.71 1wb4 h SER 818 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1wb4 h SER 818 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1wb4 h SER 818 CO -0.03 0.02 0.00 -1.22 -0.87 0.00 0.00 176.83 174.73 1wb4 n TYR 819 N -3.33 0.44 0.99 4.77 4.02 0.18 -2.51 117.16 121.73 1wb4 n TYR 819 Ca -0.02 0.16 0.13 0.00 -0.01 0.00 0.00 57.90 58.15 1wb4 n TYR 819 Cb 0.14 -0.76 0.41 0.00 -0.02 0.00 0.00 39.34 39.12 1wb4 n TYR 819 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1wb4 n LEU 820 N -1.89 0.28 -4.94 7.72 4.77 -0.82 -2.70 117.00 119.41 1wb4 n LEU 820 Ca 0.04 0.23 -0.25 0.00 -0.03 0.00 0.00 56.01 56.00 1wb4 n LEU 820 Cb 0.26 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.97 1wb4 n LEU 820 CO 0.21 0.06 0.04 0.20 -1.33 0.00 0.00 177.39 176.57 1wb4 s ASN 821 N -3.03 6.34 0.31 -1.43 0.01 -1.04 -4.92 114.94 111.18 1wb4 s ASN 821 Ca 0.12 0.31 -0.29 0.00 -0.71 0.00 0.00 52.86 52.30 1wb4 s ASN 821 Cb 0.18 -1.97 -0.13 0.00 0.41 0.00 0.00 41.25 39.74 1wb4 s ASN 821 CO 0.62 -0.10 1.34 -2.65 -1.51 0.00 0.00 177.10 174.79 1wb4 n PRO 822 N -1.11 2.11 -3.84 -0.60 -0.02 -1.26 -4.86 135.00 125.42 1wb4 n PRO 822 Ca -0.06 0.74 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 1wb4 n PRO 822 Cb 0.55 -2.35 -0.06 0.00 -0.02 0.00 0.00 33.50 31.62 1wb4 n PRO 822 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1wb4 h PRO 824 N 5.08 0.00 -3.46 0.00 0.13 -1.98 -3.25 132.00 128.52 1wb4 h PRO 824 Ca -0.54 0.00 -0.75 0.00 -0.87 0.00 0.00 66.00 63.84 1wb4 h PRO 824 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1wb4 h PRO 824 CO 0.60 0.13 2.21 1.04 -0.23 0.00 0.00 178.00 181.74 1wb4 n GLN 825 N -3.51 3.63 -3.38 0.86 6.02 -1.26 -4.97 117.38 114.75 1wb4 n GLN 825 Ca -0.01 -3.40 -0.37 0.00 -0.01 0.00 0.00 57.00 53.20 1wb4 n GLN 825 Cb 0.28 -2.94 -0.06 0.00 1.02 0.00 0.00 30.24 28.54 1wb4 n GLN 825 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1wb4 s ALA 826 N 0.56 3.52 0.47 -1.58 0.00 -1.23 -4.61 121.76 118.89 1wb4 s ALA 826 Ca 0.42 -0.30 -0.24 0.00 0.00 0.00 0.00 51.96 51.84 1wb4 s ALA 826 Cb 0.11 -2.58 -0.07 0.00 0.00 0.00 0.00 23.12 20.58 1wb4 s ALA 826 CO -0.01 -0.02 1.31 0.20 0.00 0.00 0.00 175.76 177.24 1wb4 s GLY 827 N 0.64 2.88 0.20 0.00 0.00 -1.26 -4.50 107.32 105.28 1wb4 s GLY 827 Ca 0.22 1.23 -0.30 0.00 0.00 0.00 0.00 44.72 45.88 1wb4 s GLY 827 CO 0.08 1.77 1.08 -1.60 0.00 0.00 0.00 173.10 174.43 1wb4 s ARG 828 N -2.58 4.63 -0.19 2.90 3.52 -0.83 -4.81 118.95 121.59 1wb4 s ARG 828 Ca 0.63 1.70 -0.02 0.00 -0.13 0.00 0.00 55.73 57.92 1wb4 s ARG 828 Cb -0.37 -3.26 -0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1wb4 s ARG 828 CO 0.46 0.15 -0.10 0.42 -0.81 0.00 0.00 175.30 175.43 1wb4 s ILE 829 N -0.53 2.94 -0.20 4.11 1.01 -1.26 -0.47 121.20 126.81 1wb4 s ILE 829 Ca 0.47 -0.65 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 1wb4 s ILE 829 Cb -0.29 -2.30 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1wb4 s ILE 829 CO 0.36 0.47 -0.07 -0.69 0.00 0.00 0.00 174.94 175.01 1wb4 s VAL 830 N 1.25 3.25 -0.09 2.92 1.01 0.42 -4.92 120.40 124.24 1wb4 s VAL 830 Ca 0.03 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1wb4 s VAL 830 Cb -0.14 -2.45 -0.02 0.00 0.00 0.00 0.00 36.38 33.77 1wb4 s VAL 830 CO -0.05 0.45 1.02 -0.75 0.00 0.00 0.00 175.10 175.78 1wb4 s LYS 831 N 1.23 4.43 0.12 2.72 2.47 -1.26 -0.84 119.74 128.61 1wb4 s LYS 831 Ca 0.03 1.42 0.10 0.00 -1.56 0.00 0.00 55.97 55.96 1wb4 s LYS 831 Cb -0.14 -3.54 -0.04 0.00 -1.46 0.00 0.00 37.83 32.65 1wb4 s LYS 831 CO -0.02 -0.31 -0.24 -1.21 0.16 0.00 0.00 175.35 173.73 1wb4 s GLU 832 N 1.95 1.27 -0.03 4.03 0.41 -0.28 -5.00 118.70 121.06 1wb4 s GLU 832 Ca 0.49 -1.28 0.03 0.00 -0.41 0.00 0.00 54.97 53.80 1wb4 s GLU 832 Cb -0.19 -1.63 0.00 0.00 -1.78 0.00 0.00 34.13 30.53 1wb4 s GLU 832 CO 0.19 0.38 -0.10 0.99 -0.49 0.00 0.00 175.26 176.23 1wb4 s THR 833 N -1.20 0.85 0.11 3.63 2.01 -1.26 -1.24 115.64 118.54 1wb4 s THR 833 Ca 0.11 -0.39 -0.04 0.00 0.31 0.00 0.00 61.69 61.68 1wb4 s THR 833 Cb -0.10 -0.76 -0.03 0.00 0.01 0.00 0.00 72.50 71.63 1wb4 s THR 833 CO 0.05 0.26 0.11 -0.72 -0.69 0.00 0.00 174.62 173.64 1wb4 s TYR 834 N 0.20 0.56 -0.10 4.92 1.13 -0.36 -4.99 117.35 118.71 1wb4 s TYR 834 Ca -0.04 -0.99 0.04 0.00 -1.41 0.00 0.00 57.07 54.67 1wb4 s TYR 834 Cb -0.09 -0.30 -0.00 0.00 -1.10 0.00 0.00 41.96 40.47 1wb4 s TYR 834 CO 0.01 -0.53 -0.23 0.99 -2.51 0.00 0.00 175.55 173.27 1wb4 s THR 835 N -3.97 2.14 0.00 -3.49 2.01 -1.26 -1.09 115.64 109.98 1wb4 s THR 835 Ca 0.15 -0.99 0.00 0.00 0.31 0.00 0.00 61.69 61.16 1wb4 s THR 835 Cb 0.06 -1.82 0.00 0.00 0.01 0.00 0.00 72.50 70.75 1wb4 s THR 835 CO -0.03 0.56 0.00 0.61 -0.69 0.00 0.00 174.62 175.06 1wb4 n GLY 836 N 3.50 5.32 0.30 4.40 0.00 -0.69 -4.97 105.19 113.05 1wb4 n GLY 836 Ca -0.19 -1.38 0.19 0.00 0.00 0.00 0.00 46.02 44.65 1wb4 n GLY 836 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1wb4 h ILE 837 N 0.00 0.02 -0.54 -0.61 3.07 -1.97 -0.95 117.51 116.53 1wb4 h ILE 837 Ca 0.00 -0.31 -0.20 0.00 1.55 0.00 0.00 64.86 65.90 1wb4 h ILE 837 Cb 0.00 1.30 -0.12 0.00 -0.27 0.00 0.00 36.82 37.73 1wb4 h ILE 837 CO 0.00 0.00 0.15 0.59 -1.05 0.00 0.00 178.15 177.84 1wb4 n ASN 838 N -3.10 3.68 0.00 2.16 3.02 -1.26 -4.82 115.26 114.94 1wb4 n ASN 838 Ca -0.01 -3.41 0.00 0.00 -0.03 0.00 0.00 54.58 51.13 1wb4 n ASN 838 Cb 0.21 -0.68 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 1wb4 n ASN 838 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wb4 n GLY 839 N -0.70 -1.69 3.69 7.41 0.00 -0.36 -3.44 105.19 110.09 1wb4 n GLY 839 Ca 0.37 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.55 1wb4 n GLY 839 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wb4 s THR 840 N 0.00 4.91 0.21 2.61 2.01 -1.26 -1.71 115.64 122.40 1wb4 s THR 840 Ca 0.00 1.71 -0.04 0.00 0.31 0.00 0.00 61.69 63.67 1wb4 s THR 840 Cb 0.00 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.31 1wb4 s THR 840 CO 0.00 0.11 0.21 -0.54 -0.69 0.00 0.00 174.62 173.70 1wb4 s LYS 841 N 1.58 1.26 0.28 4.92 1.02 -0.25 -4.96 119.74 123.58 1wb4 s LYS 841 Ca 0.42 -1.53 0.06 0.00 0.02 0.00 0.00 55.97 54.94 1wb4 s LYS 841 Cb -0.18 0.32 -0.06 0.00 -0.52 0.00 0.00 37.83 37.39 1wb4 s LYS 841 CO 0.17 -0.44 -0.05 -1.12 -0.92 0.00 0.00 175.35 172.99 1wb4 s SER 842 N -3.12 2.69 0.21 2.83 0.01 -1.26 -1.22 113.70 113.84 1wb4 s SER 842 Ca 0.34 -1.19 -0.14 0.00 1.31 0.00 0.00 55.95 56.26 1wb4 s SER 842 Cb 0.05 -0.15 0.01 0.00 0.21 0.00 0.00 66.02 66.14 1wb4 s SER 842 CO 0.11 -0.36 0.48 -1.48 0.41 0.00 0.00 173.24 172.39 1wb4 s LEU 843 N -3.43 0.31 -0.01 2.44 0.05 -0.37 -4.31 118.68 113.36 1wb4 s LEU 843 Ca 0.29 -0.73 0.04 0.00 0.05 0.00 0.00 54.13 53.78 1wb4 s LEU 843 Cb 0.04 1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 46.01 1wb4 s LEU 843 CO 0.12 -1.08 -0.10 0.20 -0.55 0.00 0.00 176.35 174.94 1wb4 s ASN 844 N -2.95 4.39 -0.21 1.48 0.01 -0.80 -1.12 114.94 115.74 1wb4 s ASN 844 Ca 0.16 -0.18 0.01 0.00 -0.71 0.00 0.00 52.86 52.14 1wb4 s ASN 844 Cb -0.00 -0.98 0.03 0.00 0.41 0.00 0.00 41.25 40.71 1wb4 s ASN 844 CO 0.03 0.30 -0.16 -0.69 -1.51 0.00 0.00 177.10 175.07 1wb4 s VAL 845 N -0.91 2.22 -0.25 1.60 1.01 -0.02 -1.02 120.40 123.03 1wb4 s VAL 845 Ca 0.15 -1.08 -0.21 0.00 0.00 0.00 0.00 61.98 60.84 1wb4 s VAL 845 Cb -0.11 -2.04 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 1wb4 s VAL 845 CO 0.05 0.38 0.66 -0.47 0.00 0.00 0.00 175.10 175.72 1wb4 s TYR 846 N 1.26 3.29 -0.11 5.22 6.14 0.38 -0.44 117.35 133.09 1wb4 s TYR 846 Ca 0.01 0.88 -0.04 0.00 0.64 0.00 0.00 57.07 58.56 1wb4 s TYR 846 Cb -0.15 -2.88 -0.04 0.00 0.42 0.00 0.00 41.96 39.32 1wb4 s TYR 846 CO -0.10 -0.34 0.04 -0.51 0.64 0.00 0.00 175.55 175.28 1wb4 s LEU 847 N 2.56 3.78 0.71 6.97 1.43 0.38 -1.66 118.68 132.85 1wb4 s LEU 847 Ca 0.28 0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1wb4 s LEU 847 Cb -0.15 -1.89 0.03 0.00 0.03 0.00 0.00 46.19 44.20 1wb4 s LEU 847 CO 0.08 0.34 1.14 -2.16 0.23 0.00 0.00 176.35 175.98 1wb4 s PRO 848 N -0.67 2.44 0.27 1.29 0.04 -1.25 -1.97 135.00 135.16 1wb4 s PRO 848 Ca 0.11 1.48 -0.31 0.00 0.04 0.00 0.00 61.00 62.33 1wb4 s PRO 848 Cb -0.12 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1wb4 s PRO 848 CO 0.02 -1.54 1.60 0.98 0.04 0.00 0.00 177.00 178.10 1wb4 n TYR 849 N -2.73 2.77 -0.89 0.56 9.36 -1.26 -1.16 117.16 123.81 1wb4 n TYR 849 Ca 0.11 0.23 0.00 0.00 3.32 0.00 0.00 57.90 61.56 1wb4 n TYR 849 Cb 0.52 -2.60 0.00 0.00 -0.63 0.00 0.00 39.34 36.63 1wb4 n TYR 849 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wb4 n GLY 850 N 2.51 0.68 3.59 2.98 0.00 -1.26 -4.98 105.19 108.70 1wb4 n GLY 850 Ca 0.10 0.00 -0.58 0.00 0.00 0.00 0.00 46.02 45.54 1wb4 n GLY 850 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1wb4 n TYR 851 N -2.62 1.23 -4.00 1.61 9.36 -0.31 -4.94 117.16 117.49 1wb4 n TYR 851 Ca 0.00 0.90 -0.30 0.00 3.32 0.00 0.00 57.90 61.81 1wb4 n TYR 851 Cb 0.00 -2.22 -0.16 0.00 -0.63 0.00 0.00 39.34 36.33 1wb4 n TYR 851 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1wb4 s ASP 852 N 1.01 3.14 0.21 2.98 -1.08 -1.26 -5.00 116.67 116.67 1wb4 s ASP 852 Ca 0.92 -0.74 0.15 0.00 -0.52 0.00 0.00 52.55 52.36 1wb4 s ASP 852 Cb -1.20 -1.21 0.79 0.00 -1.46 0.00 0.00 42.92 39.84 1wb4 s ASP 852 CO 0.59 -0.11 1.45 -2.65 0.52 0.00 0.00 175.17 174.97 1wb4 n PRO 853 N 4.72 0.10 0.00 4.34 -0.02 -1.26 -1.08 135.00 141.79 1wb4 n PRO 853 Ca -0.15 0.58 0.13 0.00 -2.02 0.00 0.00 63.50 62.04 1wb4 n PRO 853 Cb 0.48 -1.80 0.46 0.00 -0.02 0.00 0.00 33.50 32.61 1wb4 n PRO 853 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1wb4 n ASN 854 N -2.01 0.23 -4.96 2.55 5.03 -1.26 -4.81 115.26 110.03 1wb4 n ASN 854 Ca -0.01 0.18 -0.22 0.00 0.87 0.00 0.00 54.58 55.40 1wb4 n ASN 854 Cb 0.03 -0.18 -0.01 0.00 -1.02 0.00 0.00 39.78 38.60 1wb4 n ASN 854 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1wb4 s LYS 855 N -3.00 3.39 -0.15 3.52 1.02 -0.24 -5.10 119.74 119.17 1wb4 s LYS 855 Ca 0.13 -0.61 -0.04 0.00 0.02 0.00 0.00 55.97 55.47 1wb4 s LYS 855 Cb 0.18 -2.77 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 1wb4 s LYS 855 CO 0.60 0.23 -0.04 0.15 -0.92 0.00 0.00 175.35 175.37 1wb4 s LYS 856 N -4.17 3.66 0.01 1.68 1.02 -1.26 -4.73 119.74 115.94 1wb4 s LYS 856 Ca 0.39 -0.52 0.06 0.00 0.02 0.00 0.00 55.97 55.92 1wb4 s LYS 856 Cb -0.09 -2.90 -0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1wb4 s LYS 856 CO 0.33 0.25 -0.19 0.71 -0.92 0.00 0.00 175.35 175.52 1wb4 s TYR 857 N 0.34 2.54 0.70 3.18 2.02 -0.43 -4.87 117.35 120.82 1wb4 s TYR 857 Ca -0.04 -0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 56.22 1wb4 s TYR 857 Cb -0.14 -1.51 -0.02 0.00 -0.40 0.00 0.00 41.96 39.88 1wb4 s TYR 857 CO 0.03 0.17 0.76 0.09 -1.57 0.00 0.00 175.55 175.03 1wb4 n ASN 858 N 1.93 -0.26 -3.93 2.29 3.02 -1.26 -3.67 115.26 113.37 1wb4 n ASN 858 Ca -0.16 0.66 -0.17 0.00 -0.03 0.00 0.00 54.58 54.87 1wb4 n ASN 858 Cb 0.52 -1.31 -0.15 0.00 -0.61 0.00 0.00 39.78 38.23 1wb4 n ASN 858 CO 0.00 0.00 0.00 -0.51 -2.62 0.00 0.00 177.26 174.13 1wb4 s ILE 859 N -1.81 0.46 -0.15 2.41 2.07 -0.77 -1.40 121.20 122.00 1wb4 s ILE 859 Ca 0.70 -0.18 -0.01 0.00 -1.41 0.00 0.00 60.65 59.76 1wb4 s ILE 859 Cb -0.36 -0.43 0.04 0.00 0.13 0.00 0.00 42.46 41.84 1wb4 s ILE 859 CO 0.53 0.16 -0.05 0.12 -1.91 0.00 0.00 174.94 173.79 1wb4 s PHE 860 N 0.28 1.53 -0.13 3.50 5.36 -0.17 -1.11 117.98 127.23 1wb4 s PHE 860 Ca -0.03 -0.92 -0.16 0.00 -0.96 0.00 0.00 56.93 54.86 1wb4 s PHE 860 Cb -0.07 -1.24 -0.04 0.00 -0.34 0.00 0.00 43.02 41.32 1wb4 s PHE 860 CO -0.00 -0.57 0.39 0.71 -1.46 0.00 0.00 175.22 174.29 1wb4 s TYR 861 N 1.69 3.49 -0.08 10.12 1.51 -0.27 -0.86 117.35 132.96 1wb4 s TYR 861 Ca 0.02 0.76 -0.01 0.00 -1.01 0.00 0.00 57.07 56.83 1wb4 s TYR 861 Cb -0.14 -2.45 0.03 0.00 -0.11 0.00 0.00 41.96 39.28 1wb4 s TYR 861 CO -0.08 0.21 -0.01 -1.17 -1.11 0.00 0.00 175.55 173.39 1wb4 s LEU 862 N 0.52 0.71 -0.15 -1.29 2.96 0.34 -0.62 118.68 121.15 1wb4 s LEU 862 Ca 0.22 -0.12 -0.08 0.00 -0.22 0.00 0.00 54.13 53.93 1wb4 s LEU 862 Cb -0.14 -0.51 -0.04 0.00 0.50 0.00 0.00 46.19 46.00 1wb4 s LEU 862 CO 0.07 -0.18 0.11 -0.32 -1.32 0.00 0.00 176.35 174.72 1wb4 s MET 863 N 1.89 3.74 1.16 1.98 -2.45 0.19 -4.02 119.30 121.79 1wb4 s MET 863 Ca 0.04 -0.22 -0.17 0.00 -1.25 0.00 0.00 55.69 54.10 1wb4 s MET 863 Cb -0.12 -3.24 0.26 0.00 1.25 0.00 0.00 34.83 32.98 1wb4 s MET 863 CO -0.06 0.53 1.09 -3.38 1.05 0.00 0.00 175.02 174.26 1wb4 s HIS 864 N -0.33 0.95 0.41 4.11 -3.43 -1.26 -1.69 115.29 114.04 1wb4 s HIS 864 Ca 0.11 0.67 0.03 0.00 -0.80 0.00 0.00 55.06 55.06 1wb4 s HIS 864 Cb -0.12 -3.36 0.07 0.00 -1.43 0.00 0.00 32.58 27.75 1wb4 s HIS 864 CO 0.01 -3.66 0.56 0.41 -2.00 0.00 0.00 174.74 170.07 1wb4 n GLY 865 N -0.81 1.38 3.77 -1.38 0.00 -1.21 -2.36 105.19 104.58 1wb4 n GLY 865 Ca 0.10 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.61 1wb4 n GLY 865 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wb4 s GLY 866 N -3.86 2.77 0.00 -0.02 0.00 -1.26 -2.07 107.32 102.88 1wb4 s GLY 866 Ca 0.40 1.55 0.00 0.00 0.00 0.00 0.00 44.72 46.67 1wb4 s GLY 866 CO 0.26 2.30 0.00 0.61 0.00 0.00 0.00 173.10 176.27 1wb4 n GLY 867 N 0.86 0.89 1.96 0.20 0.00 -1.26 -5.01 105.19 102.82 1wb4 n GLY 867 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1wb4 n GLY 867 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1wb4 n GLU 868 N -2.00 0.89 -4.01 1.61 1.02 -0.88 -5.15 120.64 112.12 1wb4 n GLU 868 Ca 0.00 -1.63 -0.14 0.00 -0.02 0.00 0.00 57.16 55.37 1wb4 n GLU 868 Cb 0.00 -0.02 -0.02 0.00 -0.02 0.00 0.00 31.44 31.38 1wb4 n GLU 868 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1wb4 s ASN 869 N -2.76 0.77 0.35 1.62 2.20 -1.26 -4.92 114.94 110.95 1wb4 s ASN 869 Ca 0.26 -1.45 0.23 0.00 -0.94 0.00 0.00 52.86 50.96 1wb4 s ASN 869 Cb -0.02 0.74 1.26 0.00 -2.00 0.00 0.00 41.25 41.23 1wb4 s ASN 869 CO 0.16 -1.44 1.71 1.05 -2.94 0.00 0.00 177.10 175.64 1wb4 h GLU 870 N 2.05 0.00 -0.00 3.55 9.09 -1.85 -2.08 114.58 125.34 1wb4 h GLU 870 Ca -0.30 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.11 1wb4 h GLU 870 Cb 1.24 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.34 1wb4 h GLU 870 CO 0.39 0.00 -0.77 0.09 0.05 0.00 0.00 179.01 178.78 1wb4 n ASN 871 N -2.32 1.16 0.01 3.06 3.02 -1.26 -4.39 115.26 114.54 1wb4 n ASN 871 Ca -0.02 -1.00 -0.12 0.00 -0.03 0.00 0.00 54.58 53.42 1wb4 n ASN 871 Cb 0.05 0.72 -0.08 0.00 -0.61 0.00 0.00 39.78 39.86 1wb4 n ASN 871 CO 0.00 0.00 0.00 0.74 -2.62 0.00 0.00 177.26 175.38 1wb4 h THR 872 N 0.61 1.16 -0.13 3.41 2.02 -1.78 -2.29 112.91 115.92 1wb4 h THR 872 Ca 0.00 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.67 1wb4 h THR 872 Cb 0.56 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 1wb4 h THR 872 CO 0.00 0.13 -0.09 0.40 0.37 0.00 0.00 175.52 176.33 1wb4 h ILE 873 N -0.14 1.14 -0.58 3.11 2.04 -1.82 -1.69 117.51 119.57 1wb4 h ILE 873 Ca 0.01 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.26 1wb4 h ILE 873 Cb 0.20 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1wb4 h ILE 873 CO -0.00 0.19 0.00 0.49 0.00 0.00 0.00 178.15 178.83 1wb4 n PHE 874 N -4.33 0.77 -1.98 1.37 3.72 -1.18 -2.23 117.46 113.60 1wb4 n PHE 874 Ca -0.01 -0.38 -0.29 0.00 -0.05 0.00 0.00 57.45 56.72 1wb4 n PHE 874 Cb 0.22 0.00 0.13 0.00 -0.94 0.00 0.00 39.48 38.90 1wb4 n PHE 874 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wb4 s SER 875 N -1.18 3.91 0.23 4.37 1.04 -0.63 -4.66 113.70 116.78 1wb4 s SER 875 Ca 0.44 0.46 0.20 0.00 0.48 0.00 0.00 55.95 57.53 1wb4 s SER 875 Cb 0.24 -0.76 0.92 0.00 0.10 0.00 0.00 66.02 66.51 1wb4 s SER 875 CO 0.32 -2.24 1.61 0.59 0.98 0.00 0.00 173.24 174.50 1wb4 n ASN 876 N -3.45 0.51 0.06 7.02 3.02 -1.26 -0.90 115.26 120.26 1wb4 n ASN 876 Ca 0.12 0.66 0.13 0.00 -0.03 0.00 0.00 54.58 55.46 1wb4 n ASN 876 Cb 0.60 -0.76 0.48 0.00 -0.61 0.00 0.00 39.78 39.50 1wb4 n ASN 876 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1wb4 n ASP 877 N -2.10 0.46 0.02 6.41 8.00 -1.26 -4.54 116.55 123.54 1wb4 n ASP 877 Ca 0.01 0.55 0.00 0.00 0.71 0.00 0.00 54.79 56.07 1wb4 n ASP 877 Cb 0.15 -0.67 0.00 0.00 -0.02 0.00 0.00 41.12 40.57 1wb4 n ASP 877 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1wb4 n VAL 878 N -1.94 0.05 -2.83 2.53 0.31 -0.73 -4.70 118.33 111.01 1wb4 n VAL 878 Ca 0.06 0.01 -0.18 0.00 -0.01 0.00 0.00 64.34 64.22 1wb4 n VAL 878 Cb 0.36 -0.79 0.03 0.00 -0.91 0.00 0.00 33.84 32.53 1wb4 n VAL 878 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1wb4 n LYS 879 N -2.75 -3.77 0.03 5.55 5.02 -0.07 -4.90 118.16 117.27 1wb4 n LYS 879 Ca 0.00 0.75 0.06 0.00 -2.02 0.00 0.00 58.31 57.09 1wb4 n LYS 879 Cb 0.12 -5.24 0.47 0.00 -0.02 0.00 0.00 35.03 30.36 1wb4 n LYS 879 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1wb4 h LEU 880 N -1.04 0.39 -1.82 -0.35 5.85 -1.73 -1.69 115.31 114.92 1wb4 h LEU 880 Ca -0.43 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.36 1wb4 h LEU 880 Cb 1.30 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1wb4 h LEU 880 CO 0.46 0.28 0.27 0.06 -0.34 0.00 0.00 178.44 179.17 1wb4 h GLN 881 N 0.45 0.21 -0.39 1.25 -0.00 -1.91 -0.55 115.11 114.17 1wb4 h GLN 881 Ca 0.14 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.72 1wb4 h GLN 881 Cb 0.03 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.44 1wb4 h GLN 881 CO -0.03 0.14 0.02 -0.91 -0.00 0.00 0.00 178.83 178.05 1wb4 h ASN 882 N 0.22 0.67 -0.29 0.06 2.35 -1.56 0.99 115.58 118.02 1wb4 h ASN 882 Ca 0.18 -0.29 -0.01 0.00 -0.55 0.00 0.00 56.30 55.62 1wb4 h ASN 882 Cb 0.43 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.61 1wb4 h ASN 882 CO -0.03 0.80 0.12 0.40 -1.65 0.00 0.00 177.43 177.06 1wb4 h ILE 883 N 0.52 1.17 -0.22 2.81 2.04 -1.12 -0.99 117.51 121.72 1wb4 h ILE 883 Ca 0.11 -0.51 0.02 0.00 1.00 0.00 0.00 64.86 65.49 1wb4 h ILE 883 Cb 0.44 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.48 1wb4 h ILE 883 CO 0.02 0.17 0.09 -0.07 0.00 0.00 0.00 178.15 178.36 1wb4 h LEU 884 N 0.32 0.13 -0.24 1.44 3.38 -1.02 -0.25 115.31 119.06 1wb4 h LEU 884 Ca 0.10 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1wb4 h LEU 884 Cb 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.89 1wb4 h LEU 884 CO -0.01 0.10 0.13 0.44 0.09 0.00 0.00 178.44 179.19 1wb4 h ASP 885 N 0.21 0.20 -0.00 -0.43 3.32 -0.64 -0.42 116.42 118.65 1wb4 h ASP 885 Ca 0.09 0.01 -0.16 0.00 0.02 0.00 0.00 57.03 56.99 1wb4 h ASP 885 Cb 0.04 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1wb4 h ASP 885 CO -0.08 0.15 -0.53 0.45 -1.72 0.00 0.00 179.24 177.52 1wb4 h HIS 886 N 0.27 0.72 -0.59 4.55 3.86 -1.04 -0.87 115.15 122.05 1wb4 h HIS 886 Ca 0.10 -0.25 -0.08 0.00 -1.16 0.00 0.00 60.37 58.97 1wb4 h HIS 886 Cb 0.01 -0.14 -0.02 0.00 1.06 0.00 0.00 27.41 28.32 1wb4 h HIS 886 CO -0.09 0.98 0.04 0.00 0.86 0.00 0.00 177.93 179.73 1wb4 h ALA 887 N 0.97 0.79 -0.29 2.45 0.00 -0.81 -1.14 119.26 121.23 1wb4 h ALA 887 Ca 0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 1wb4 h ALA 887 Cb 1.07 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1wb4 h ALA 887 CO 0.10 0.60 -0.14 0.82 0.00 0.00 0.00 179.25 180.63 1wb4 h ILE 888 N 0.92 1.29 -0.87 0.00 2.04 -0.94 -0.98 117.51 118.97 1wb4 h ILE 888 Ca 0.17 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.80 1wb4 h ILE 888 Cb 0.50 1.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 1wb4 h ILE 888 CO 0.02 0.39 0.55 -0.03 0.00 0.00 0.00 178.15 179.09 1wb4 h MET 889 N 0.35 1.15 -0.00 2.37 4.05 -1.03 -2.34 114.93 119.49 1wb4 h MET 889 Ca 0.06 -0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1wb4 h MET 889 Cb 0.66 -0.25 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 1wb4 h MET 889 CO 0.04 0.78 -0.07 0.09 0.23 0.00 0.00 176.91 177.99 1wb4 n ASN 890 N -4.39 0.16 0.00 1.39 5.03 -0.44 -4.92 115.26 112.10 1wb4 n ASN 890 Ca 0.10 -0.14 0.00 0.00 0.87 0.00 0.00 54.58 55.41 1wb4 n ASN 890 Cb 0.04 -0.23 0.00 0.00 -1.02 0.00 0.00 39.78 38.57 1wb4 n ASN 890 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1wb4 n GLY 891 N 1.34 0.63 0.13 7.41 0.00 -0.87 -4.92 105.19 108.91 1wb4 n GLY 891 Ca 0.12 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1wb4 n GLY 891 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1wb4 h GLU 892 N 1.65 0.00 -4.06 1.61 5.08 -1.45 -3.41 114.58 114.00 1wb4 h GLU 892 Ca 0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1wb4 h GLU 892 Cb 0.00 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 28.90 1wb4 h GLU 892 CO 0.00 0.61 -0.78 -1.17 -1.00 0.00 0.00 179.01 176.67 1wb4 s LEU 893 N -6.90 1.19 0.44 1.33 2.96 -1.12 -4.74 118.68 111.84 1wb4 s LEU 893 Ca 0.01 -0.17 -0.24 0.00 -0.22 0.00 0.00 54.13 53.51 1wb4 s LEU 893 Cb 0.10 -0.56 -0.08 0.00 0.50 0.00 0.00 46.19 46.15 1wb4 s LEU 893 CO 0.75 -0.08 1.20 -1.61 -1.32 0.00 0.00 176.35 175.29 1wb4 s GLU 894 N 1.23 3.82 0.38 1.98 2.02 -1.26 -4.14 118.70 122.72 1wb4 s GLU 894 Ca -0.06 1.88 -0.27 0.00 0.02 0.00 0.00 54.97 56.55 1wb4 s GLU 894 Cb -0.14 -2.52 -0.11 0.00 0.10 0.00 0.00 34.13 31.46 1wb4 s GLU 894 CO -0.02 -0.53 1.35 -0.35 0.02 0.00 0.00 175.26 175.73 1wb4 n PRO 895 N -0.29 2.24 -3.71 0.39 -0.04 -1.26 -4.99 135.00 127.34 1wb4 n PRO 895 Ca 0.06 0.79 -0.10 0.00 -0.04 0.00 0.00 63.50 64.21 1wb4 n PRO 895 Cb 0.47 -2.45 -0.04 0.00 -0.04 0.00 0.00 33.50 31.43 1wb4 n PRO 895 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 1wb4 s LEU 896 N -1.54 0.23 -0.05 1.53 2.34 -1.26 -4.53 118.68 115.39 1wb4 s LEU 896 Ca 0.56 -0.44 -0.18 0.00 0.06 0.00 0.00 54.13 54.14 1wb4 s LEU 896 Cb -0.52 1.98 -0.05 0.00 -0.56 0.00 0.00 46.19 47.04 1wb4 s LEU 896 CO 0.61 -0.97 0.48 -0.63 -1.06 0.00 0.00 176.35 174.78 1wb4 s ILE 897 N -3.85 5.06 -0.12 1.48 1.01 -0.49 -3.82 121.20 120.46 1wb4 s ILE 897 Ca 0.08 0.98 0.02 0.00 0.00 0.00 0.00 60.65 61.73 1wb4 s ILE 897 Cb 0.00 -3.81 0.01 0.00 0.01 0.00 0.00 42.46 38.68 1wb4 s ILE 897 CO -0.06 0.43 -0.19 -0.69 0.00 0.00 0.00 174.94 174.43 1wb4 s VAL 898 N -0.14 1.82 -0.10 2.92 1.01 -0.66 -1.00 120.40 124.25 1wb4 s VAL 898 Ca 0.26 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1wb4 s VAL 898 Cb -0.16 -1.62 -0.02 0.00 0.00 0.00 0.00 36.38 34.57 1wb4 s VAL 898 CO 0.13 0.50 -0.12 -0.69 0.00 0.00 0.00 175.10 174.92 1wb4 s VAL 899 N 0.80 3.20 -0.42 2.92 1.01 -0.04 -0.47 120.40 127.41 1wb4 s VAL 899 Ca -0.09 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1wb4 s VAL 899 Cb -0.16 -2.31 0.11 0.00 0.00 0.00 0.00 36.38 34.03 1wb4 s VAL 899 CO -0.00 0.55 0.15 0.42 0.00 0.00 0.00 175.10 176.23 1wb4 s THR 900 N -0.18 2.56 0.00 3.92 -4.23 -0.19 -0.50 115.64 117.02 1wb4 s THR 900 Ca 0.00 -2.65 0.00 0.00 -1.18 0.00 0.00 61.69 57.86 1wb4 s THR 900 Cb -0.13 -2.82 0.00 0.00 1.34 0.00 0.00 72.50 70.89 1wb4 s THR 900 CO 0.03 -0.69 0.00 -0.81 -0.54 0.00 0.00 174.62 172.62 1wb4 n PRO 901 N 3.89 0.98 -3.93 3.99 -0.04 -1.26 -1.91 135.00 136.72 1wb4 n PRO 901 Ca 0.04 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1wb4 n PRO 901 Cb 0.39 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.73 1wb4 n PRO 901 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1wb4 s THR 902 N 0.28 0.08 -2.21 0.52 -1.32 -1.26 -4.11 115.64 107.62 1wb4 s THR 902 Ca 0.00 -0.68 0.18 0.00 -1.21 0.00 0.00 61.69 59.98 1wb4 s THR 902 Cb 0.00 -0.26 0.42 0.00 -1.51 0.00 0.00 72.50 71.15 1wb4 s THR 902 CO 0.00 -0.38 1.45 2.22 -2.21 0.00 0.00 174.62 175.71 1wb4 n PHE 903 N 1.85 0.34 -1.88 9.09 1.16 -1.26 -4.92 117.46 121.83 1wb4 n PHE 903 Ca -0.21 -0.17 -0.30 0.00 -1.87 0.00 0.00 57.45 54.89 1wb4 n PHE 903 Cb 0.56 0.00 0.05 0.00 -1.61 0.00 0.00 39.48 38.48 1wb4 n PHE 903 CO 0.00 0.00 0.00 -0.80 -1.87 0.00 0.00 176.76 174.09 1wb4 s ASN 904 N -1.38 5.33 0.00 5.98 0.01 -1.26 -3.26 114.94 120.36 1wb4 s ASN 904 Ca 0.31 1.09 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 1wb4 s ASN 904 Cb 0.17 -1.85 0.00 0.00 0.41 0.00 0.00 41.25 39.97 1wb4 s ASN 904 CO 0.24 -1.41 0.00 0.61 -1.51 0.00 0.00 177.10 175.03 1wb4 n GLY 905 N -3.03 1.62 7.00 0.66 0.00 -1.26 -4.76 105.19 105.42 1wb4 n GLY 905 Ca 0.07 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.56 1wb4 n GLY 905 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wb4 n GLY 906 N 1.71 3.09 0.51 -0.02 0.00 -1.22 -0.86 105.19 108.40 1wb4 n GLY 906 Ca 0.00 -0.19 0.08 0.00 0.00 0.00 0.00 46.02 45.91 1wb4 n GLY 906 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb4 n ASN 907 N 2.63 1.51 -4.78 1.61 4.13 -1.26 -4.97 115.26 114.12 1wb4 n ASN 907 Ca 0.00 -1.81 -0.37 0.00 1.68 0.00 0.00 54.58 54.08 1wb4 n ASN 907 Cb 0.00 -0.14 -0.06 0.00 -1.54 0.00 0.00 39.78 38.04 1wb4 n ASN 907 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wb4 s THR 909 N -1.65 0.09 0.31 0.00 -4.23 -1.20 -4.53 115.64 104.43 1wb4 s THR 909 Ca 0.53 -1.96 0.03 0.00 -1.18 0.00 0.00 61.69 59.11 1wb4 s THR 909 Cb -0.20 -2.29 0.29 0.00 1.34 0.00 0.00 72.50 71.64 1wb4 s THR 909 CO 0.25 -0.22 1.90 0.00 -0.54 0.00 0.00 174.62 176.01 1wb4 h ALA 910 N 2.72 1.59 -0.22 3.99 0.00 -1.91 -1.63 119.26 123.81 1wb4 h ALA 910 Ca -0.36 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1wb4 h ALA 910 Cb 1.23 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1wb4 h ALA 910 CO 0.56 0.25 -0.47 0.37 0.00 0.00 0.00 179.25 179.96 1wb4 h GLN 911 N 0.94 0.70 -0.02 0.00 4.15 -1.90 -3.34 115.11 115.63 1wb4 h GLN 911 Ca 0.41 -0.46 0.00 0.00 0.77 0.00 0.00 58.65 59.36 1wb4 h GLN 911 Cb 0.33 0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.08 1wb4 h GLN 911 CO -0.17 1.08 -0.06 0.27 -1.93 0.00 0.00 178.83 178.02 1wb4 n ASN 912 N -4.16 2.35 -0.10 -0.69 0.23 -1.00 -4.52 115.26 107.37 1wb4 n ASN 912 Ca -0.06 -1.74 0.16 0.00 -0.53 0.00 0.00 54.58 52.41 1wb4 n ASN 912 Cb 0.58 0.06 0.56 0.00 -2.08 0.00 0.00 39.78 38.89 1wb4 n ASN 912 CO 0.00 0.00 0.00 0.15 -0.93 0.00 0.00 177.26 176.48 1wb4 h PHE 913 N 3.60 0.33 -0.95 -2.53 3.57 -1.43 -2.13 116.94 117.40 1wb4 h PHE 913 Ca 0.00 0.01 0.27 0.00 3.53 0.00 0.00 57.97 61.77 1wb4 h PHE 913 Cb 0.80 -0.11 -0.05 0.00 2.79 0.00 0.00 35.95 39.39 1wb4 h PHE 913 CO 0.00 0.14 0.67 0.10 -2.23 0.00 0.00 178.31 176.98 1wb4 h TYR 914 N 0.29 0.11 -0.17 0.41 -0.00 -1.86 -0.08 116.97 115.67 1wb4 h TYR 914 Ca 0.32 0.00 -0.05 0.00 0.00 0.00 0.00 58.73 59.00 1wb4 h TYR 914 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 36.73 37.52 1wb4 h TYR 914 CO -0.00 0.02 -0.08 1.96 -0.00 0.00 0.00 178.16 180.06 1wb4 h GLN 915 N 0.07 0.35 -0.84 0.10 1.08 -1.75 -1.35 115.11 112.78 1wb4 h GLN 915 Ca 0.46 -0.15 -0.02 0.00 -1.45 0.00 0.00 58.65 57.49 1wb4 h GLN 915 Cb 1.71 -0.01 -0.04 0.00 -0.05 0.00 0.00 27.48 29.09 1wb4 h GLN 915 CO -0.05 0.66 0.43 1.49 -0.95 0.00 0.00 178.83 180.42 1wb4 h GLU 916 N 0.03 1.19 -0.14 1.46 4.81 -1.52 -1.73 114.58 118.66 1wb4 h GLU 916 Ca 0.04 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1wb4 h GLU 916 Cb 0.55 -0.23 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1wb4 h GLU 916 CO 0.02 0.89 -0.08 0.35 -0.73 0.00 0.00 179.01 179.46 1wb4 h PHE 917 N 1.18 -0.19 -0.29 0.92 3.57 -0.85 0.11 116.94 121.38 1wb4 h PHE 917 Ca 0.29 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.76 1wb4 h PHE 917 Cb 0.07 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1wb4 h PHE 917 CO 0.01 -0.13 -0.01 0.00 -2.23 0.00 0.00 178.31 175.95 1wb4 h ARG 918 N -0.07 0.53 0.00 1.11 3.08 -0.97 -1.70 114.38 116.35 1wb4 h ARG 918 Ca 0.08 -0.18 -0.24 0.00 0.07 0.00 0.00 59.98 59.72 1wb4 h ARG 918 Cb 0.19 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.16 1wb4 h ARG 918 CO -0.19 0.69 -1.51 1.96 -1.07 0.00 0.00 179.97 179.84 1wb4 h GLN 919 N 0.31 0.00 0.00 0.04 4.20 -1.22 -3.42 115.11 115.02 1wb4 h GLN 919 Ca 0.08 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.78 1wb4 h GLN 919 Cb 0.46 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1wb4 h GLN 919 CO 0.02 0.47 -0.67 0.09 -0.67 0.00 0.00 178.83 178.07 1wb4 n ASN 920 N -3.02 0.50 0.03 1.46 5.03 0.26 -4.69 115.26 114.82 1wb4 n ASN 920 Ca -0.12 0.07 -0.13 0.00 0.87 0.00 0.00 54.58 55.26 1wb4 n ASN 920 Cb 0.96 -0.16 -0.09 0.00 -1.02 0.00 0.00 39.78 39.48 1wb4 n ASN 920 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 1wb4 h VAL 921 N -0.04 1.16 0.24 2.41 2.07 -1.14 -1.73 116.25 119.21 1wb4 h VAL 921 Ca -0.02 -0.75 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 1wb4 h VAL 921 Cb 0.64 1.65 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1wb4 h VAL 921 CO -0.01 0.19 -0.18 0.40 0.02 0.00 0.00 177.57 177.99 1wb4 h ILE 922 N -0.42 0.61 -0.39 4.57 2.04 -1.56 -0.90 117.51 121.46 1wb4 h ILE 922 Ca -0.01 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.81 1wb4 h ILE 922 Cb 0.37 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 1wb4 h ILE 922 CO 0.01 0.00 0.06 -0.65 0.00 0.00 0.00 178.15 177.57 1wb4 h PRO 923 N -0.43 0.59 0.16 2.37 0.11 -1.81 -0.45 132.00 132.55 1wb4 h PRO 923 Ca -0.01 -0.11 -0.01 0.00 0.11 0.00 0.00 66.00 65.98 1wb4 h PRO 923 Cb 0.38 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.39 1wb4 h PRO 923 CO -0.01 0.57 -0.08 0.35 -0.21 0.00 0.00 178.00 178.62 1wb4 h PHE 924 N 0.57 -0.20 -0.09 0.65 3.57 -1.11 -1.57 116.94 118.76 1wb4 h PHE 924 Ca 0.13 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1wb4 h PHE 924 Cb 0.27 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1wb4 h PHE 924 CO 0.01 0.02 -0.03 0.28 -2.23 0.00 0.00 178.31 176.37 1wb4 h VAL 925 N -0.40 1.30 -0.00 1.41 2.07 -1.03 -3.26 116.25 116.34 1wb4 h VAL 925 Ca -0.02 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1wb4 h VAL 925 Cb 0.32 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1wb4 h VAL 925 CO 0.04 0.27 -0.04 -0.62 0.02 0.00 0.00 177.57 177.23 1wb4 n GLU 926 N -4.77 0.14 0.12 1.57 1.02 -0.19 -1.38 120.64 117.15 1wb4 n GLU 926 Ca -0.07 -0.01 -0.02 0.00 -0.02 0.00 0.00 57.16 57.04 1wb4 n GLU 926 Cb 0.24 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.28 1wb4 n GLU 926 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wb4 h SER 927 N 0.03 0.00 0.07 1.62 4.64 -1.32 -3.38 113.55 115.21 1wb4 h SER 927 Ca 0.00 -0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.95 1wb4 h SER 927 Cb 0.44 -0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.49 1wb4 h SER 927 CO 0.00 0.68 -2.15 1.17 -0.87 0.00 0.00 176.83 175.65 1wb4 n LYS 928 N -3.73 0.70 -4.45 4.77 4.81 -0.84 -4.99 118.16 114.42 1wb4 n LYS 928 Ca -0.01 0.24 -0.32 0.00 -0.87 0.00 0.00 58.31 57.36 1wb4 n LYS 928 Cb 0.67 -1.63 -0.11 0.00 0.02 0.00 0.00 35.03 33.98 1wb4 n LYS 928 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 1wb4 s TYR 929 N -2.53 2.83 -0.76 5.64 2.02 -0.48 -5.06 117.35 119.01 1wb4 s TYR 929 Ca -0.28 -0.08 -0.23 0.00 -0.37 0.00 0.00 57.07 56.10 1wb4 s TYR 929 Cb 0.08 -1.57 0.07 0.00 -0.40 0.00 0.00 41.96 40.14 1wb4 s TYR 929 CO 0.68 0.36 1.13 -1.12 -1.57 0.00 0.00 175.55 175.03 1wb4 s SER 930 N -1.54 6.27 0.05 2.29 0.01 -1.26 -4.52 113.70 115.01 1wb4 s SER 930 Ca 0.17 -1.06 0.01 0.00 1.31 0.00 0.00 55.95 56.38 1wb4 s SER 930 Cb -0.11 -2.47 0.01 0.00 0.21 0.00 0.00 66.02 63.66 1wb4 s SER 930 CO 0.08 -1.50 0.06 0.35 0.41 0.00 0.00 173.24 172.64 1wb4 n THR 931 N 6.09 0.00 1.55 1.44 -2.24 -1.26 -1.31 114.28 118.55 1wb4 n THR 931 Ca 0.06 -0.17 0.15 0.00 -2.27 0.00 0.00 64.05 61.83 1wb4 n THR 931 Cb 0.48 -0.84 0.80 0.00 -2.10 0.00 0.00 70.33 68.66 1wb4 n THR 931 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1wb4 n TYR 932 N -0.99 0.00 -2.09 4.78 4.02 -1.24 -4.37 117.16 117.27 1wb4 n TYR 932 Ca 0.01 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 1wb4 n TYR 932 Cb 0.05 -0.22 -0.03 0.00 -0.02 0.00 0.00 39.34 39.12 1wb4 n TYR 932 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1wb4 s ALA 933 N -2.44 3.62 0.01 -0.72 0.00 -1.26 -4.75 121.76 116.22 1wb4 s ALA 933 Ca 0.33 0.91 0.10 0.00 0.00 0.00 0.00 51.96 53.30 1wb4 s ALA 933 Cb 0.21 -3.69 -0.12 0.00 0.00 0.00 0.00 23.12 19.52 1wb4 s ALA 933 CO 0.44 -1.23 1.29 0.93 0.00 0.00 0.00 175.76 177.19 1wb4 h GLU 934 N 8.88 0.00 -4.21 0.00 5.08 -1.87 -3.46 114.58 119.00 1wb4 h GLU 934 Ca -0.38 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 57.83 1wb4 h GLU 934 Cb 1.17 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.28 1wb4 h GLU 934 CO 0.94 0.79 -0.51 -1.54 -1.00 0.00 0.00 179.01 177.69 1wb4 s SER 935 N -6.57 0.19 -0.23 1.42 1.04 -1.26 -5.06 113.70 103.23 1wb4 s SER 935 Ca 0.02 -1.08 0.14 0.00 0.48 0.00 0.00 55.95 55.51 1wb4 s SER 935 Cb 0.09 0.36 0.68 0.00 0.10 0.00 0.00 66.02 67.25 1wb4 s SER 935 CO 0.79 -0.80 1.62 0.35 0.98 0.00 0.00 173.24 176.18 1wb4 n THR 936 N -0.15 2.61 -1.26 2.02 -2.24 -1.26 -3.66 114.28 110.34 1wb4 n THR 936 Ca -0.06 -1.72 -0.30 0.00 -2.27 0.00 0.00 64.05 59.71 1wb4 n THR 936 Cb 0.63 -0.29 0.13 0.00 -2.10 0.00 0.00 70.33 68.70 1wb4 n THR 936 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1wb4 s THR 937 N -2.87 2.74 0.28 4.28 -4.23 -1.26 -4.77 115.64 109.80 1wb4 s THR 937 Ca 0.49 0.24 0.01 0.00 -1.18 0.00 0.00 61.69 61.26 1wb4 s THR 937 Cb 0.39 -2.77 0.26 0.00 1.34 0.00 0.00 72.50 71.73 1wb4 s THR 937 CO 0.12 -0.31 1.74 -0.65 -0.54 0.00 0.00 174.62 174.98 1wb4 h PRO 938 N -1.46 0.55 -0.55 3.99 0.11 -1.98 -0.26 132.00 132.40 1wb4 h PRO 938 Ca -0.49 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 1wb4 h PRO 938 Cb 1.28 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1wb4 h PRO 938 CO 0.55 0.37 0.18 1.96 -0.21 0.00 0.00 178.00 180.85 1wb4 h GLN 939 N 0.57 0.85 -0.17 1.05 7.50 -1.94 -0.34 115.11 122.63 1wb4 h GLN 939 Ca 0.50 -0.18 -0.11 0.00 0.50 0.00 0.00 58.65 59.37 1wb4 h GLN 939 Cb 0.80 -0.12 -0.01 0.00 0.05 0.00 0.00 27.48 28.20 1wb4 h GLN 939 CO -0.41 0.77 -0.36 0.78 -1.50 0.00 0.00 178.83 178.11 1wb4 h GLY 940 N 0.76 0.40 0.75 3.46 0.00 -1.43 -0.67 103.07 106.35 1wb4 h GLY 940 Ca 0.18 -0.37 -0.06 0.00 0.00 0.00 0.00 47.33 47.08 1wb4 h GLY 940 CO -0.01 0.33 -0.15 -2.22 0.00 0.00 0.00 176.54 174.50 1wb4 h ILE 941 N 0.32 1.34 -0.75 2.60 2.04 -0.94 -3.04 117.51 119.09 1wb4 h ILE 941 Ca 0.04 -1.31 -0.02 0.00 1.00 0.00 0.00 64.86 64.57 1wb4 h ILE 941 Cb 0.78 1.86 -0.04 0.00 -0.74 0.00 0.00 36.82 38.69 1wb4 h ILE 941 CO 0.06 0.39 0.40 0.00 0.00 0.00 0.00 178.15 179.00 1wb4 h ALA 942 N 0.61 1.30 0.00 1.87 0.00 -0.96 -2.16 119.26 119.92 1wb4 h ALA 942 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1wb4 h ALA 942 Cb 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1wb4 h ALA 942 CO 0.04 0.56 0.00 0.00 0.00 0.00 0.00 179.25 179.85 1wb4 n ALA 943 N -2.43 1.62 -0.51 0.00 0.00 -0.27 -2.68 120.51 116.25 1wb4 n ALA 943 Ca 0.08 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.64 1wb4 n ALA 943 Cb 0.10 -1.35 0.16 0.00 0.00 0.00 0.00 19.45 18.37 1wb4 n ALA 943 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1wb4 n SER 944 N -2.09 3.04 0.26 0.00 3.41 -0.83 -4.77 113.62 112.65 1wb4 n SER 944 Ca 0.02 -2.45 0.08 0.00 -0.26 0.00 0.00 58.87 56.27 1wb4 n SER 944 Cb 0.21 -0.32 0.65 0.00 -0.26 0.00 0.00 64.21 64.49 1wb4 n SER 944 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 1wb4 h ARG 945 N 1.44 0.00 0.00 4.33 0.11 -1.35 -1.35 114.38 117.56 1wb4 h ARG 945 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1wb4 h ARG 945 Cb 0.96 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.04 1wb4 h ARG 945 CO 0.07 0.00 0.00 -1.33 0.10 0.00 0.00 179.97 178.81 1wb4 n MET 946 N -4.51 0.03 -0.41 0.08 2.81 -1.26 -2.24 117.12 111.62 1wb4 n MET 946 Ca -0.03 0.27 0.06 0.00 -1.81 0.00 0.00 57.70 56.19 1wb4 n MET 946 Cb 0.09 -1.50 0.19 0.00 -0.71 0.00 0.00 33.22 31.29 1wb4 n MET 946 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1wb4 n HIS 947 N -1.46 0.35 -4.38 2.03 8.25 -0.51 -4.73 115.22 114.76 1wb4 n HIS 947 Ca 0.03 -1.23 -0.20 0.00 -0.26 0.00 0.00 57.72 56.07 1wb4 n HIS 947 Cb 0.13 -0.27 -0.15 0.00 1.12 0.00 0.00 29.99 30.83 1wb4 n HIS 947 CO 0.00 0.00 0.00 0.50 0.64 0.00 0.00 176.34 177.48 1wb4 s ARG 948 N -3.04 0.88 0.10 -0.41 3.52 -1.01 -1.85 118.95 117.15 1wb4 s ARG 948 Ca 0.38 -0.31 0.00 0.00 -0.13 0.00 0.00 55.73 55.67 1wb4 s ARG 948 Cb 0.34 -0.84 -0.04 0.00 -1.56 0.00 0.00 34.95 32.85 1wb4 s ARG 948 CO 0.01 0.14 -0.02 0.20 -0.81 0.00 0.00 175.30 174.82 1wb4 s GLY 949 N 0.05 0.77 -0.02 8.12 0.00 -0.27 -2.27 107.32 113.71 1wb4 s GLY 949 Ca -0.01 -1.36 -0.01 0.00 0.00 0.00 0.00 44.72 43.34 1wb4 s GLY 949 CO 0.00 -1.40 0.04 -0.12 0.00 0.00 0.00 173.10 171.62 1wb4 s PHE 950 N -3.83 -0.02 0.33 1.90 2.19 -0.09 -1.11 117.98 117.35 1wb4 s PHE 950 Ca 0.14 0.13 -0.04 0.00 0.33 0.00 0.00 56.93 57.49 1wb4 s PHE 950 Cb 0.07 -0.08 0.00 0.00 -1.31 0.00 0.00 43.02 41.70 1wb4 s PHE 950 CO -0.04 -0.05 0.49 0.20 1.83 0.00 0.00 175.22 177.65 1wb4 s GLY 951 N 0.47 1.33 0.00 13.12 0.00 0.21 -0.58 107.32 121.87 1wb4 s GLY 951 Ca -0.04 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.27 1wb4 s GLY 951 CO -0.02 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.77 1wb4 n GLY 952 N -0.54 1.21 3.38 0.20 0.00 -0.96 -0.63 105.19 107.85 1wb4 n GLY 952 Ca 0.00 -0.77 -0.33 0.00 0.00 0.00 0.00 46.02 44.93 1wb4 n GLY 952 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1wb4 s PHE 953 N -2.00 2.82 0.00 1.61 5.36 -0.68 -0.90 117.98 124.19 1wb4 s PHE 953 Ca 0.00 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.37 1wb4 s PHE 953 Cb 0.00 -1.84 0.00 0.00 -0.34 0.00 0.00 43.02 40.84 1wb4 s PHE 953 CO 0.00 -0.18 0.00 0.00 -1.46 0.00 0.00 175.22 173.58 1wb4 n ALA 954 N 3.46 0.00 0.13 11.12 0.00 0.01 -0.22 120.51 135.01 1wb4 n ALA 954 Ca -0.18 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.42 1wb4 n ALA 954 Cb 0.53 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.69 1wb4 n ALA 954 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 1wb4 h MET 955 N 0.00 0.00 0.00 0.00 2.86 -1.85 0.14 114.93 116.08 1wb4 h MET 955 Ca 0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1wb4 h MET 955 Cb 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 1wb4 h MET 955 CO 0.00 0.00 -0.24 0.78 1.06 0.00 0.00 176.91 178.51 1wb4 h GLY 956 N 0.00 0.00 0.93 8.32 0.00 -0.21 -0.81 103.07 111.30 1wb4 h GLY 956 Ca 0.14 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 1wb4 h GLY 956 CO -0.00 0.00 -0.10 -1.33 0.00 0.00 0.00 176.54 175.11 1wb4 h GLY 957 N 2.23 0.71 0.60 4.60 0.00 -0.57 -1.60 103.07 109.05 1wb4 h GLY 957 Ca -0.00 -0.61 0.06 0.00 0.00 0.00 0.00 47.33 46.78 1wb4 h GLY 957 CO 0.03 0.55 0.23 -2.00 0.00 0.00 0.00 176.54 175.36 1wb4 h LEU 958 N 0.44 0.29 -0.77 3.11 6.46 -1.04 -1.70 115.31 122.09 1wb4 h LEU 958 Ca 0.08 0.05 0.11 0.00 -0.12 0.00 0.00 57.88 58.00 1wb4 h LEU 958 Cb 0.61 0.00 -0.08 0.00 -0.73 0.00 0.00 40.66 40.47 1wb4 h LEU 958 CO 0.04 0.20 0.39 0.74 -0.62 0.00 0.00 178.44 179.19 1wb4 h THR 959 N 0.45 0.82 -0.44 1.05 2.02 -1.03 -1.97 112.91 113.81 1wb4 h THR 959 Ca 0.25 -0.22 0.03 0.00 0.77 0.00 0.00 66.41 67.24 1wb4 h THR 959 Cb 0.22 0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.72 1wb4 h THR 959 CO -0.21 0.12 0.22 0.74 0.37 0.00 0.00 175.52 176.75 1wb4 h THR 960 N 0.64 0.98 -0.70 3.16 2.02 -0.51 0.14 112.91 118.63 1wb4 h THR 960 Ca 0.39 -0.15 -0.07 0.00 0.77 0.00 0.00 66.41 67.35 1wb4 h THR 960 Cb 0.45 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1wb4 h THR 960 CO -0.30 0.08 0.16 -0.50 0.37 0.00 0.00 175.52 175.33 1wb4 h TRP 961 N 0.45 1.18 -0.35 3.16 4.06 -0.64 -0.03 115.95 123.78 1wb4 h TRP 961 Ca 0.19 -0.15 -0.09 0.00 2.06 0.00 0.00 58.89 60.90 1wb4 h TRP 961 Cb 0.08 -0.33 -0.02 0.00 -1.00 0.00 0.00 29.16 27.89 1wb4 h TRP 961 CO -0.10 0.97 -0.16 1.88 -3.56 0.00 0.00 178.44 177.48 1wb4 h TYR 962 N 1.06 0.70 -0.60 0.49 -1.99 -0.94 -1.74 116.97 113.94 1wb4 h TYR 962 Ca 0.22 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.81 1wb4 h TYR 962 Cb 0.39 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.91 1wb4 h TYR 962 CO 0.03 0.75 0.35 0.28 -0.00 0.00 0.00 178.16 179.57 1wb4 h VAL 963 N 0.57 1.19 -0.01 -2.88 2.07 -0.37 -2.18 116.25 114.64 1wb4 h VAL 963 Ca 0.10 -0.44 0.00 0.00 0.82 0.00 0.00 66.70 67.17 1wb4 h VAL 963 Cb 0.59 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.75 1wb4 h VAL 963 CO 0.04 0.20 -0.01 -0.03 0.02 0.00 0.00 177.57 177.79 1wb4 h MET 964 N 0.82 -0.01 0.00 1.57 1.85 -0.63 0.22 114.93 118.74 1wb4 h MET 964 Ca 0.21 0.00 -0.06 0.00 -0.61 0.00 0.00 59.70 59.25 1wb4 h MET 964 Cb 0.01 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.04 1wb4 h MET 964 CO -0.04 -0.01 -0.28 -0.39 -0.40 0.00 0.00 176.91 175.79 1wb4 h VAL 965 N -0.01 0.65 -0.01 -5.77 -1.51 -1.28 -3.05 116.25 105.26 1wb4 h VAL 965 Ca 0.01 -1.32 0.00 0.00 -1.23 0.00 0.00 66.70 64.16 1wb4 h VAL 965 Cb 0.02 1.87 0.00 0.00 -2.13 0.00 0.00 31.29 31.05 1wb4 h VAL 965 CO -0.01 0.28 -0.44 0.59 -1.23 0.00 0.00 177.57 176.75 1wb4 n ASN 966 N -3.40 1.83 -1.02 4.19 3.02 -0.82 -4.66 115.26 114.40 1wb4 n ASN 966 Ca 0.00 -1.41 0.02 0.00 -0.03 0.00 0.00 54.58 53.16 1wb4 n ASN 966 Cb 0.48 0.50 0.02 0.00 -0.61 0.00 0.00 39.78 40.16 1wb4 n ASN 966 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wb4 h LEU 968 N 0.54 0.27 -2.36 0.00 3.38 -1.69 -0.46 115.31 114.99 1wb4 h LEU 968 Ca -0.12 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1wb4 h LEU 968 Cb 1.65 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.34 1wb4 h LEU 968 CO 0.05 0.18 0.05 -2.24 0.09 0.00 0.00 178.44 176.58 1wb4 h ASP 969 N 0.31 0.00 0.00 -0.43 2.03 -1.91 -3.22 116.42 113.20 1wb4 h ASP 969 Ca 0.19 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.49 1wb4 h ASP 969 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1wb4 h ASP 969 CO -0.04 0.00 -1.59 -1.22 -1.03 0.00 0.00 179.24 175.36 1wb4 n TYR 970 N -3.91 0.00 -4.04 4.15 4.01 -0.30 -4.32 117.16 112.76 1wb4 n TYR 970 Ca -0.02 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.55 1wb4 n TYR 970 Cb 0.15 -0.30 -0.16 0.00 -0.31 0.00 0.00 39.34 38.72 1wb4 n TYR 970 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1wb4 s VAL 971 N -2.91 0.32 -0.10 -0.72 1.01 -0.52 -4.37 120.40 113.10 1wb4 s VAL 971 Ca -0.05 -0.04 0.15 0.00 0.00 0.00 0.00 61.98 62.05 1wb4 s VAL 971 Cb 0.09 -0.36 -0.22 0.00 0.00 0.00 0.00 36.38 35.88 1wb4 s VAL 971 CO 0.56 0.16 0.18 0.00 0.00 0.00 0.00 175.10 175.99 1wb4 n ALA 972 N 3.85 2.00 -3.07 5.51 0.00 -0.95 -4.49 120.51 123.36 1wb4 n ALA 972 Ca -0.24 -0.79 -0.32 0.00 0.00 0.00 0.00 53.44 52.09 1wb4 n ALA 972 Cb 0.52 -0.27 -0.16 0.00 0.00 0.00 0.00 19.45 19.54 1wb4 n ALA 972 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wb4 s TYR 973 N -2.68 2.61 -0.05 0.00 1.51 -1.13 -0.90 117.35 116.70 1wb4 s TYR 973 Ca -0.07 -0.86 0.03 0.00 -1.01 0.00 0.00 57.07 55.17 1wb4 s TYR 973 Cb 0.07 -1.72 0.00 0.00 -0.11 0.00 0.00 41.96 40.20 1wb4 s TYR 973 CO 0.66 -0.31 -0.14 -0.06 -1.11 0.00 0.00 175.55 174.59 1wb4 s PHE 974 N 0.21 1.52 -0.52 2.71 0.08 -0.10 -0.91 117.98 120.97 1wb4 s PHE 974 Ca -0.13 -0.46 0.06 0.00 0.12 0.00 0.00 56.93 56.52 1wb4 s PHE 974 Cb -0.16 -1.05 0.23 0.00 -0.57 0.00 0.00 43.02 41.47 1wb4 s PHE 974 CO 0.07 -0.18 0.58 -0.12 -0.10 0.00 0.00 175.22 175.46 1wb4 n MET 975 N 3.34 1.42 -2.41 0.44 1.56 0.26 -1.04 117.12 120.69 1wb4 n MET 975 Ca -0.19 -3.87 -0.42 0.00 -0.27 0.00 0.00 57.70 52.94 1wb4 n MET 975 Cb 0.53 -1.76 -0.03 0.00 2.15 0.00 0.00 33.22 34.11 1wb4 n MET 975 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wb4 s PRO 976 N -1.53 4.34 -0.21 2.12 0.04 -1.25 -2.26 135.00 136.25 1wb4 s PRO 976 Ca 0.35 1.74 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1wb4 s PRO 976 Cb 0.12 -3.54 0.03 0.00 0.04 0.00 0.00 34.50 31.15 1wb4 s PRO 976 CO -0.09 -0.46 -0.15 -0.51 0.04 0.00 0.00 177.00 175.82 1wb4 s LEU 977 N 2.16 2.58 -1.36 -3.56 1.43 -0.08 -1.98 118.68 117.87 1wb4 s LEU 977 Ca 0.58 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1wb4 s LEU 977 Cb -0.26 -1.53 0.00 0.00 0.03 0.00 0.00 46.19 44.42 1wb4 s LEU 977 CO 0.23 -0.06 0.54 -1.20 0.23 0.00 0.00 176.35 176.10 1wb4 n SER 978 N 4.60 -0.70 -3.62 2.29 7.64 -0.16 -0.81 113.62 122.86 1wb4 n SER 978 Ca -0.19 -0.92 -0.14 0.00 1.01 0.00 0.00 58.87 58.63 1wb4 n SER 978 Cb 0.48 -3.50 -0.07 0.00 -1.01 0.00 0.00 64.21 60.12 1wb4 n SER 978 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wb4 s GLY 979 N -4.36 -0.49 0.40 0.23 0.00 -1.26 -3.20 107.32 98.64 1wb4 s GLY 979 Ca 0.01 2.02 0.08 0.00 0.00 0.00 0.00 44.72 46.82 1wb4 s GLY 979 CO 0.85 1.64 0.51 0.51 0.00 0.00 0.00 173.10 176.61 1wb4 s ASP 980 N 0.12 5.59 -0.42 1.64 -4.77 -1.26 -4.65 116.67 112.92 1wb4 s ASP 980 Ca -0.01 -0.44 -0.23 0.00 -3.30 0.00 0.00 52.55 48.57 1wb4 s ASP 980 Cb -0.04 -0.75 0.02 0.00 -1.09 0.00 0.00 42.92 41.06 1wb4 s ASP 980 CO 0.01 -0.67 0.76 -0.47 0.70 0.00 0.00 175.17 175.50 1wb4 s TYR 981 N -2.34 3.04 -1.20 2.11 5.04 -1.26 -4.28 117.35 118.46 1wb4 s TYR 981 Ca 0.52 0.26 -0.14 0.00 -2.44 0.00 0.00 57.07 55.27 1wb4 s TYR 981 Cb -0.09 -3.52 0.17 0.00 0.35 0.00 0.00 41.96 38.87 1wb4 s TYR 981 CO 0.31 -0.88 1.44 -1.58 -1.34 0.00 0.00 175.55 173.50 1wb4 s TRP 982 N 3.15 3.47 -0.43 4.97 0.51 -1.26 -4.73 118.94 124.63 1wb4 s TRP 982 Ca 0.29 -2.10 0.07 0.00 -2.12 0.00 0.00 56.10 52.24 1wb4 s TRP 982 Cb -0.13 -4.33 0.18 0.00 -0.81 0.00 0.00 33.47 28.38 1wb4 s TRP 982 CO 0.20 -1.41 0.61 -0.47 -0.51 0.00 0.00 176.95 175.37 1wb4 s TYR 983 N 1.69 -1.48 0.00 -1.98 5.04 -1.26 -5.13 117.35 114.23 1wb4 s TYR 983 Ca 0.43 -0.08 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 1wb4 s TYR 983 Cb -0.03 0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.49 1wb4 s TYR 983 CO 0.00 -1.17 0.00 0.41 -1.34 0.00 0.00 175.55 173.46 1wb4 n GLY 984 N 4.10 4.61 0.33 8.97 0.00 -1.26 -3.72 105.19 118.22 1wb4 n GLY 984 Ca 0.13 -1.26 0.13 0.00 0.00 0.00 0.00 46.02 45.02 1wb4 n GLY 984 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1wb4 n ASN 985 N 0.00 1.29 -3.99 1.61 3.02 -1.26 -4.85 115.26 111.07 1wb4 n ASN 985 Ca 0.00 -1.10 -0.10 0.00 -0.03 0.00 0.00 54.58 53.36 1wb4 n ASN 985 Cb 0.00 0.16 -0.08 0.00 -0.61 0.00 0.00 39.78 39.25 1wb4 n ASN 985 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1wb4 s SER 986 N -2.41 0.09 0.41 6.41 1.04 -1.26 -5.02 113.70 112.96 1wb4 s SER 986 Ca 0.26 -0.92 0.08 0.00 0.48 0.00 0.00 55.95 55.84 1wb4 s SER 986 Cb 0.19 0.41 0.85 0.00 0.10 0.00 0.00 66.02 67.58 1wb4 s SER 986 CO 0.49 -0.86 2.03 -0.65 0.98 0.00 0.00 173.24 175.24 1wb4 h PRO 987 N 2.61 0.47 -0.66 4.02 0.11 -1.90 -2.20 132.00 134.44 1wb4 h PRO 987 Ca -0.32 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.66 1wb4 h PRO 987 Cb 1.22 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 1wb4 h PRO 987 CO 0.50 0.35 0.08 1.96 -0.21 0.00 0.00 178.00 180.69 1wb4 h GLN 988 N 0.48 1.12 -0.57 1.05 7.50 -1.95 -0.40 115.11 122.33 1wb4 h GLN 988 Ca 0.12 -0.31 0.04 0.00 0.50 0.00 0.00 58.65 59.00 1wb4 h GLN 988 Cb 0.03 -0.12 -0.04 0.00 0.05 0.00 0.00 27.48 27.39 1wb4 h GLN 988 CO -0.02 1.03 0.32 -0.44 -1.50 0.00 0.00 178.83 178.23 1wb4 h ASP 989 N 1.04 0.49 0.20 1.46 3.32 -1.75 0.14 116.42 121.32 1wb4 h ASP 989 Ca 0.20 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 1wb4 h ASP 989 Cb 0.48 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.95 1wb4 h ASP 989 CO 0.02 0.33 -0.10 0.11 -1.72 0.00 0.00 179.24 177.88 1wb4 h LYS 990 N 0.62 -0.26 -0.82 3.56 1.57 -1.11 -1.56 116.57 118.56 1wb4 h LYS 990 Ca 0.25 0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.04 1wb4 h LYS 990 Cb 0.11 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.44 1wb4 h LYS 990 CO -0.14 -0.15 0.49 0.00 -0.57 0.00 0.00 179.45 179.08 1wb4 h ALA 991 N 0.48 1.04 -0.14 3.86 0.00 -0.90 -2.22 119.26 121.37 1wb4 h ALA 991 Ca -0.03 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.73 1wb4 h ALA 991 Cb 0.24 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1wb4 h ALA 991 CO 0.05 0.51 -0.18 -0.91 0.00 0.00 0.00 179.25 178.72 1wb4 h ASN 992 N 1.12 0.22 -0.25 0.00 2.35 -0.62 -0.15 115.58 118.25 1wb4 h ASN 992 Ca 0.29 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.95 1wb4 h ASN 992 Cb -0.04 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 1wb4 h ASN 992 CO -0.05 0.42 0.01 -1.28 -1.65 0.00 0.00 177.43 174.87 1wb4 h SER 993 N 0.22 0.42 -0.46 5.81 0.87 -0.98 0.96 113.55 120.38 1wb4 h SER 993 Ca 0.04 -0.30 0.01 0.00 -1.23 0.00 0.00 61.79 60.31 1wb4 h SER 993 Cb 0.44 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.27 1wb4 h SER 993 CO 0.03 0.62 0.30 0.40 -0.53 0.00 0.00 176.83 177.65 1wb4 h ILE 994 N 0.22 1.11 -0.53 2.23 2.04 -1.02 -1.65 117.51 119.92 1wb4 h ILE 994 Ca 0.07 -0.21 0.03 0.00 1.00 0.00 0.00 64.86 65.75 1wb4 h ILE 994 Cb 0.39 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 1wb4 h ILE 994 CO 0.01 0.11 0.31 0.00 0.00 0.00 0.00 178.15 178.58 1wb4 h ALA 995 N 1.17 0.68 -0.54 1.87 0.00 -0.80 -1.07 119.26 120.57 1wb4 h ALA 995 Ca 0.17 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.02 1wb4 h ALA 995 Cb -0.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wb4 h ALA 995 CO -0.04 0.01 0.10 0.93 0.00 0.00 0.00 179.25 180.25 1wb4 h GLU 996 N 0.61 0.85 -0.64 0.00 5.08 -0.63 0.89 114.58 120.74 1wb4 h GLU 996 Ca 0.22 -0.19 -0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1wb4 h GLU 996 Cb 0.04 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 1wb4 h GLU 996 CO -0.11 0.78 0.25 0.00 -1.00 0.00 0.00 179.01 178.94 1wb4 h ALA 997 N 1.30 0.83 -0.42 3.43 0.00 -0.76 -0.49 119.26 123.15 1wb4 h ALA 997 Ca 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wb4 h ALA 997 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1wb4 h ALA 997 CO 0.00 0.45 0.25 0.82 0.00 0.00 0.00 179.25 180.77 1wb4 h ILE 998 N 0.90 1.14 -0.36 0.00 2.04 -0.75 -1.15 117.51 119.33 1wb4 h ILE 998 Ca 0.21 -0.32 0.03 0.00 1.00 0.00 0.00 64.86 65.78 1wb4 h ILE 998 Cb 0.21 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 1wb4 h ILE 998 CO -0.02 0.14 0.17 0.78 0.00 0.00 0.00 178.15 179.22 1wb4 h ASN 999 N 0.56 0.25 -0.41 1.72 -0.26 -0.52 -2.33 115.58 114.58 1wb4 h ASN 999 Ca 0.15 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 1wb4 h ASN 999 Cb 0.01 -0.03 -0.02 0.00 -1.06 0.00 0.00 38.32 37.22 1wb4 h ASN 999 CO -0.03 0.18 0.19 0.03 -1.06 0.00 0.00 177.43 176.75 1wb4 h ARG 1000N 0.36 0.64 0.00 0.81 2.47 -0.82 -2.48 114.38 115.36 1wb4 h ARG 1000Ca 0.15 -0.08 -0.04 0.00 -1.26 0.00 0.00 59.98 58.75 1wb4 h ARG 1000Cb 0.07 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.26 1wb4 h ARG 1000CO -0.11 0.52 -0.19 0.66 0.56 0.00 0.00 179.97 181.41 1wb4 h SER 1001N 0.64 0.00 0.00 7.04 4.64 -0.65 -3.47 113.55 121.76 1wb4 h SER 1001Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1wb4 h SER 1001Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1wb4 h SER 1001CO -0.02 0.19 0.00 0.61 -0.87 0.00 0.00 176.83 176.74 1wb4 n GLY 1002N -0.29 0.60 3.77 -0.77 0.00 -0.94 -4.99 105.19 102.57 1wb4 n GLY 1002Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1wb4 n GLY 1002CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wb4 s LEU 1003N 0.00 3.84 0.73 0.99 1.43 -1.26 -5.04 118.68 119.37 1wb4 s LEU 1003Ca 0.00 2.23 -0.11 0.00 -1.03 0.00 0.00 54.13 55.22 1wb4 s LEU 1003Cb 0.00 -4.46 0.03 0.00 0.03 0.00 0.00 46.19 41.78 1wb4 s LEU 1003CO 0.00 -1.13 1.09 -0.94 0.23 0.00 0.00 176.35 175.60 1wb4 s SER 1004N -1.62 5.20 0.19 2.29 1.04 -1.26 -4.94 113.70 114.60 1wb4 s SER 1004Ca 0.70 1.24 0.16 0.00 0.48 0.00 0.00 55.95 58.53 1wb4 s SER 1004Cb -0.26 -2.04 0.79 0.00 0.10 0.00 0.00 66.02 64.61 1wb4 s SER 1004CO 0.30 -1.51 1.50 0.29 0.98 0.00 0.00 173.24 174.79 1wb4 n LYS 1005N -3.13 0.10 -0.16 4.02 5.02 -1.26 -1.59 118.16 121.16 1wb4 n LYS 1005Ca 0.07 0.50 0.08 0.00 -2.02 0.00 0.00 58.31 56.94 1wb4 n LYS 1005Cb 0.56 -1.77 0.24 0.00 -0.02 0.00 0.00 35.03 34.04 1wb4 n LYS 1005CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wb4 n ARG 1006N -1.98 1.85 0.00 1.97 5.12 -1.26 -4.25 116.66 118.11 1wb4 n ARG 1006Ca 0.00 -1.31 0.00 0.00 -1.93 0.00 0.00 57.85 54.61 1wb4 n ARG 1006Cb 0.09 -1.33 0.00 0.00 -1.16 0.00 0.00 32.46 30.06 1wb4 n ARG 1006CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1wb4 n GLU 1007N 0.55 1.69 -3.71 5.56 1.02 -0.62 -4.96 120.64 120.17 1wb4 n GLU 1007Ca 0.14 -1.11 -0.14 0.00 -0.02 0.00 0.00 57.16 56.03 1wb4 n GLU 1007Cb 0.33 -0.91 -0.08 0.00 -0.02 0.00 0.00 31.44 30.76 1wb4 n GLU 1007CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1wb4 s TYR 1008N -0.63 -0.29 -0.11 -0.32 -0.85 -1.26 -4.70 117.35 109.20 1wb4 s TYR 1008Ca 0.00 0.46 -0.07 0.00 -0.52 0.00 0.00 57.07 56.94 1wb4 s TYR 1008Cb 0.00 0.17 0.04 0.00 0.38 0.00 0.00 41.96 42.55 1wb4 s TYR 1008CO 0.00 -0.44 0.26 -0.06 -1.52 0.00 0.00 175.55 173.79 1wb4 s PHE 1009N -1.31 -0.33 -0.17 -3.49 0.40 -0.08 -4.80 117.98 108.19 1wb4 s PHE 1009Ca -0.13 0.79 0.00 0.00 -0.60 0.00 0.00 56.93 56.99 1wb4 s PHE 1009Cb -0.04 0.08 0.03 0.00 0.51 0.00 0.00 43.02 43.60 1wb4 s PHE 1009CO 0.05 -0.21 -0.11 0.08 0.70 0.00 0.00 175.22 175.73 1wb4 s VAL 1010N 0.89 1.51 -0.44 -0.44 1.01 -0.19 -0.93 120.40 121.81 1wb4 s VAL 1010Ca -0.06 -0.74 0.02 0.00 0.00 0.00 0.00 61.98 61.20 1wb4 s VAL 1010Cb -0.07 -1.51 0.12 0.00 0.00 0.00 0.00 36.38 34.92 1wb4 s VAL 1010CO -0.06 0.32 0.18 0.12 0.00 0.00 0.00 175.10 175.66 1wb4 s PHE 1011N 1.49 3.52 0.34 5.22 2.19 -0.20 -1.33 117.98 129.20 1wb4 s PHE 1011Ca 0.02 -2.95 -0.05 0.00 0.33 0.00 0.00 56.93 54.29 1wb4 s PHE 1011Cb -0.14 -2.97 -0.05 0.00 -1.31 0.00 0.00 43.02 38.55 1wb4 s PHE 1011CO -0.09 -0.87 0.61 0.00 1.83 0.00 0.00 175.22 176.70 1wb4 s ALA 1012N 0.44 3.57 0.01 11.12 0.00 -0.10 -3.82 121.76 132.99 1wb4 s ALA 1012Ca 0.13 -0.56 -0.23 0.00 0.00 0.00 0.00 51.96 51.30 1wb4 s ALA 1012Cb -0.22 -2.36 0.05 0.00 0.00 0.00 0.00 23.12 20.59 1wb4 s ALA 1012CO -0.04 0.08 0.51 0.00 0.00 0.00 0.00 175.76 176.31 1wb4 s ALA 1013N -2.25 -1.30 0.24 0.00 0.00 -0.84 -1.10 121.76 116.51 1wb4 s ALA 1013Ca 0.45 0.69 -0.07 0.00 0.00 0.00 0.00 51.96 53.02 1wb4 s ALA 1013Cb -0.10 0.24 0.03 0.00 0.00 0.00 0.00 23.12 23.29 1wb4 s ALA 1013CO 0.33 -0.43 0.45 -2.37 0.00 0.00 0.00 175.76 173.74 1wb4 n THR 1014N 0.68 0.00 -4.11 0.00 5.66 -0.31 -0.99 114.28 115.21 1wb4 n THR 1014Ca -0.19 -0.72 -0.26 0.00 -3.05 0.00 0.00 64.05 59.82 1wb4 n THR 1014Cb 0.59 0.63 -0.06 0.00 -1.55 0.00 0.00 70.33 69.94 1wb4 n THR 1014CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1wb4 s GLY 1015N -2.30 1.71 0.35 1.09 0.00 -1.26 -0.86 107.32 106.05 1wb4 s GLY 1015Ca 0.12 -1.25 0.27 0.00 0.00 0.00 0.00 44.72 43.85 1wb4 s GLY 1015CO 0.09 -1.26 1.80 1.48 0.00 0.00 0.00 173.10 175.20 1wb4 h SER 1016N 2.45 0.00 -0.51 1.64 4.64 -0.95 -1.94 113.55 118.88 1wb4 h SER 1016Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1wb4 h SER 1016Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1wb4 h SER 1016CO 0.62 0.00 0.00 -0.62 -0.87 0.00 0.00 176.83 175.96 1wb4 n GLU 1017N -2.53 3.19 -3.46 4.77 -0.58 -0.40 -4.87 120.64 116.76 1wb4 n GLU 1017Ca 0.02 -2.59 -0.38 0.00 -0.42 0.00 0.00 57.16 53.79 1wb4 n GLU 1017Cb 0.28 -1.64 -0.09 0.00 -0.57 0.00 0.00 31.44 29.42 1wb4 n GLU 1017CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1wb4 s ASP 1018N -1.11 6.25 0.54 1.62 -1.08 -0.73 -4.34 116.67 117.81 1wb4 s ASP 1018Ca 0.41 0.28 0.36 0.00 -0.52 0.00 0.00 52.55 53.07 1wb4 s ASP 1018Cb 0.26 -2.19 1.54 0.00 -1.46 0.00 0.00 42.92 41.07 1wb4 s ASP 1018CO 0.21 -0.10 1.82 0.16 0.52 0.00 0.00 175.17 177.77 1wb4 h ILE 1019N 5.25 0.43 0.00 4.11 3.07 -1.93 -0.63 117.51 127.81 1wb4 h ILE 1019Ca -0.34 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.07 1wb4 h ILE 1019Cb 1.17 0.43 0.00 0.00 -0.27 0.00 0.00 36.82 38.15 1wb4 h ILE 1019CO 0.65 0.00 0.00 0.00 -1.05 0.00 0.00 178.15 177.75 1wb4 h ALA 1020N 1.43 1.00 -0.91 0.16 0.00 -1.92 -3.00 119.26 116.02 1wb4 h ALA 1020Ca 0.54 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.52 1wb4 h ALA 1020Cb 2.16 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 19.89 1wb4 h ALA 1020CO -0.01 0.00 0.57 -0.92 0.00 0.00 0.00 179.25 178.90 1wb4 h TYR 1021N 0.00 1.06 -0.40 0.00 3.20 -1.37 -0.79 116.97 118.66 1wb4 h TYR 1021Ca 0.00 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.94 1wb4 h TYR 1021Cb 0.38 -0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.29 1wb4 h TYR 1021CO 0.00 0.53 0.27 0.00 -1.64 0.00 0.00 178.16 177.32 1wb4 h ALA 1022N 1.43 1.89 0.01 1.82 0.00 -1.72 -0.91 119.26 121.78 1wb4 h ALA 1022Ca 0.40 -0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.98 1wb4 h ALA 1022Cb 0.20 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.83 1wb4 h ALA 1022CO -0.18 0.06 -1.93 0.09 0.00 0.00 0.00 179.25 177.28 1wb4 n ASN 1023N -4.48 0.69 -0.08 0.00 4.13 -0.89 -4.34 115.26 110.30 1wb4 n ASN 1023Ca 0.04 0.28 -0.12 0.00 1.68 0.00 0.00 54.58 56.46 1wb4 n ASN 1023Cb 0.18 0.20 -0.05 0.00 -1.54 0.00 0.00 39.78 38.57 1wb4 n ASN 1023CO 0.00 0.00 0.00 0.24 0.28 0.00 0.00 177.26 177.78 1wb4 h MET 1024N 0.00 0.45 -0.44 3.52 2.86 -0.87 -3.33 114.93 117.13 1wb4 h MET 1024Ca -0.37 -0.19 0.02 0.00 -2.06 0.00 0.00 59.70 57.09 1wb4 h MET 1024Cb 2.08 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 33.70 1wb4 h MET 1024CO 0.06 0.72 0.26 -0.97 1.06 0.00 0.00 176.91 178.05 1wb4 h ASN 1025N 0.17 0.42 -0.85 1.22 -1.24 -1.36 -0.37 115.58 113.57 1wb4 h ASN 1025Ca 0.05 0.00 0.03 0.00 0.71 0.00 0.00 56.30 57.09 1wb4 h ASN 1025Cb 0.58 -0.09 -0.05 0.00 0.73 0.00 0.00 38.32 39.50 1wb4 h ASN 1025CO 0.03 0.30 0.56 -0.65 -1.29 0.00 0.00 177.43 176.38 1wb4 h PRO 1026N 0.52 1.05 -0.49 6.67 0.11 -1.78 -0.83 132.00 137.26 1wb4 h PRO 1026Ca 0.17 -0.06 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1wb4 h PRO 1026Cb 0.01 -0.24 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1wb4 h PRO 1026CO -0.08 0.69 0.05 0.37 -0.21 0.00 0.00 178.00 178.82 1wb4 h GLN 1027N 1.08 0.83 -0.50 1.05 4.15 -1.39 -1.84 115.11 118.50 1wb4 h GLN 1027Ca 0.33 -0.24 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1wb4 h GLN 1027Cb -0.02 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1wb4 h GLN 1027CO -0.09 0.85 0.30 0.82 -1.93 0.00 0.00 178.83 178.78 1wb4 h ILE 1028N 0.69 1.15 -0.89 2.39 1.08 -0.62 -0.47 117.51 120.85 1wb4 h ILE 1028Ca 0.14 -0.35 -0.01 0.00 -0.39 0.00 0.00 64.86 64.25 1wb4 h ILE 1028Cb 0.44 0.49 -0.04 0.00 -3.07 0.00 0.00 36.82 34.64 1wb4 h ILE 1028CO 0.02 0.16 0.50 -0.33 -0.69 0.00 0.00 178.15 177.80 1wb4 h GLU 1029N 0.66 1.23 -0.61 2.37 4.39 -1.07 -0.33 114.58 121.23 1wb4 h GLU 1029Ca 0.18 -0.13 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 1wb4 h GLU 1029Cb -0.01 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.38 1wb4 h GLU 1029CO -0.03 0.89 0.04 0.00 -1.16 0.00 0.00 179.01 178.75 1wb4 h ALA 1030N 1.27 0.92 -0.72 3.43 0.00 -0.93 -2.68 119.26 120.55 1wb4 h ALA 1030Ca 0.31 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1wb4 h ALA 1030Cb 0.01 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1wb4 h ALA 1030CO -0.05 0.65 0.21 0.52 0.00 0.00 0.00 179.25 180.58 1wb4 h MET 1031N 0.96 1.12 -0.44 0.00 2.86 -0.58 -2.92 114.93 115.94 1wb4 h MET 1031Ca 0.18 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.61 1wb4 h MET 1031Cb 0.50 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1wb4 h MET 1031CO 0.02 0.96 0.29 0.87 1.06 0.00 0.00 176.91 180.12 1wb4 h LYS 1032N 1.08 0.44 0.00 1.72 1.57 -0.75 -1.52 116.57 119.10 1wb4 h LYS 1032Ca 0.23 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1wb4 h LYS 1032Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1wb4 h LYS 1032CO -0.01 0.29 0.00 0.00 -0.57 0.00 0.00 179.45 179.17 1wb4 h ALA 1033N 1.75 1.00 -2.62 3.86 0.00 -1.29 -3.45 119.26 118.51 1wb4 h ALA 1033Ca 0.18 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.60 1wb4 h ALA 1033Cb 0.15 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.97 1wb4 h ALA 1033CO -0.04 0.00 0.45 -0.51 0.00 0.00 0.00 179.25 179.14 1wb4 s LEU 1034N -5.00 4.21 0.41 0.00 1.43 -0.57 -4.93 118.68 114.22 1wb4 s LEU 1034Ca 0.04 2.17 0.29 0.00 -1.03 0.00 0.00 54.13 55.60 1wb4 s LEU 1034Cb 0.09 -4.06 1.33 0.00 0.03 0.00 0.00 46.19 43.58 1wb4 s LEU 1034CO 0.47 -0.51 1.87 1.55 0.23 0.00 0.00 176.35 179.96 1wb4 h PRO 1035N 2.70 0.00 0.00 1.29 0.13 -1.87 -3.08 132.00 131.17 1wb4 h PRO 1035Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1wb4 h PRO 1035Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1wb4 h PRO 1035CO 0.63 0.00 0.00 0.45 -0.23 0.00 0.00 178.00 178.85 1wb4 h HIS 1036N 0.00 0.00 -3.87 1.56 3.86 -1.91 -3.43 115.15 111.36 1wb4 h HIS 1036Ca 0.00 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.61 1wb4 h HIS 1036Cb 0.28 0.00 -0.31 0.00 1.06 0.00 0.00 27.41 28.43 1wb4 h HIS 1036CO 0.00 0.00 -0.85 -0.06 0.86 0.00 0.00 177.93 177.88 1wb4 s PHE 1037N -3.71 1.93 -0.31 2.45 0.08 -1.17 -4.84 117.98 112.40 1wb4 s PHE 1037Ca 0.00 -0.58 -0.04 0.00 0.12 0.00 0.00 56.93 56.43 1wb4 s PHE 1037Cb 0.10 -1.29 0.04 0.00 -0.57 0.00 0.00 43.02 41.30 1wb4 s PHE 1037CO 0.48 -0.20 0.04 -0.51 -0.10 0.00 0.00 175.22 174.94 1wb4 s ASP 1038N 0.04 5.05 -0.29 1.36 1.01 -1.26 -4.84 116.67 117.74 1wb4 s ASP 1038Ca -0.05 -1.17 -0.28 0.00 0.71 0.00 0.00 52.55 51.76 1wb4 s ASP 1038Cb -0.13 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.03 1wb4 s ASP 1038CO 0.03 -0.28 1.02 -0.47 0.21 0.00 0.00 175.17 175.68 1wb4 s TYR 1039N 1.33 3.22 0.00 4.23 5.04 -1.26 -1.18 117.35 128.73 1wb4 s TYR 1039Ca -0.03 1.23 0.00 0.00 -2.44 0.00 0.00 57.07 55.83 1wb4 s TYR 1039Cb -0.19 -3.48 0.00 0.00 0.35 0.00 0.00 41.96 38.64 1wb4 s TYR 1039CO 0.01 -0.64 0.00 -2.37 -1.34 0.00 0.00 175.55 171.21 1wb4 n THR 1040N 5.63 0.00 1.11 4.34 5.66 0.52 -4.95 114.28 126.60 1wb4 n THR 1040Ca 0.11 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 61.25 1wb4 n THR 1040Cb 0.47 0.00 0.65 0.00 -1.55 0.00 0.00 70.33 69.90 1wb4 n THR 1040CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1wb4 n SER 1041N 0.00 0.00 -4.54 1.09 3.41 -0.66 -3.67 113.62 109.25 1wb4 n SER 1041Ca 0.00 0.31 -0.41 0.00 -0.26 0.00 0.00 58.87 58.51 1wb4 n SER 1041Cb 0.00 -0.44 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 1wb4 n SER 1041CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1wb4 s ASP 1042N -2.87 6.42 0.00 4.04 -1.08 -1.04 -4.71 116.67 117.42 1wb4 s ASP 1042Ca 0.18 -1.27 0.22 0.00 -0.52 0.00 0.00 52.55 51.16 1wb4 s ASP 1042Cb 0.19 -2.55 1.31 0.00 -1.46 0.00 0.00 42.92 40.41 1wb4 s ASP 1042CO 0.50 -1.54 1.70 0.49 0.52 0.00 0.00 175.17 176.85 1wb4 n PHE 1043N 8.73 0.00 0.65 -5.34 3.72 -1.26 -0.86 117.46 123.11 1wb4 n PHE 1043Ca 0.24 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.77 1wb4 n PHE 1043Cb 0.50 0.00 0.46 0.00 -0.94 0.00 0.00 39.48 39.50 1wb4 n PHE 1043CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1wb4 n SER 1044N -0.96 0.57 0.00 4.37 3.41 -1.26 -4.22 113.62 115.53 1wb4 n SER 1044Ca 0.16 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.35 1wb4 n SER 1044Cb 0.08 -0.72 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 1wb4 n SER 1044CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1wb4 n LYS 1045N -2.05 3.21 -0.27 4.33 5.02 -0.04 -5.12 118.16 123.23 1wb4 n LYS 1045Ca 0.05 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1wb4 n LYS 1045Cb 0.36 -0.62 0.00 0.00 -0.02 0.00 0.00 35.03 34.75 1wb4 n LYS 1045CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wb4 n GLY 1046N 1.28 2.57 0.17 0.72 0.00 -0.54 -4.99 105.19 104.41 1wb4 n GLY 1046Ca 0.00 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.21 1wb4 n GLY 1046CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1wb4 n ASN 1047N -0.23 0.00 -3.69 1.61 6.94 -0.33 -4.16 115.26 115.40 1wb4 n ASN 1047Ca 0.00 -1.19 -0.10 0.00 -0.02 0.00 0.00 54.58 53.27 1wb4 n ASN 1047Cb 0.00 -0.04 -0.11 0.00 -2.36 0.00 0.00 39.78 37.27 1wb4 n ASN 1047CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1wb4 s PHE 1048N 0.00 -0.61 0.01 -2.53 5.36 -1.08 -1.03 117.98 118.10 1wb4 s PHE 1048Ca 0.00 1.29 -0.18 0.00 -0.96 0.00 0.00 56.93 57.08 1wb4 s PHE 1048Cb 0.00 0.27 0.03 0.00 -0.34 0.00 0.00 43.02 42.98 1wb4 s PHE 1048CO 0.00 -0.35 0.39 -0.47 -1.46 0.00 0.00 175.22 173.33 1wb4 s TYR 1049N 1.46 -0.26 -0.26 10.12 5.04 -0.44 -0.35 117.35 132.66 1wb4 s TYR 1049Ca -0.09 0.33 -0.01 0.00 -2.44 0.00 0.00 57.07 54.86 1wb4 s TYR 1049Cb -0.09 0.17 0.08 0.00 0.35 0.00 0.00 41.96 42.48 1wb4 s TYR 1049CO -0.13 -0.49 0.05 0.12 -1.34 0.00 0.00 175.55 173.76 1wb4 s PHE 1050N -1.81 1.70 -0.19 4.97 5.36 -1.26 -0.92 117.98 125.83 1wb4 s PHE 1050Ca -0.10 -1.50 -0.20 0.00 -0.96 0.00 0.00 56.93 54.17 1wb4 s PHE 1050Cb -0.03 -1.51 -0.03 0.00 -0.34 0.00 0.00 43.02 41.11 1wb4 s PHE 1050CO 0.02 -0.77 0.58 -1.17 -1.46 0.00 0.00 175.22 172.42 1wb4 s LEU 1051N 1.62 4.16 -0.22 6.12 0.20 -0.25 -4.96 118.68 125.34 1wb4 s LEU 1051Ca 0.03 0.79 -0.00 0.00 0.69 0.00 0.00 54.13 55.64 1wb4 s LEU 1051Cb -0.18 -2.82 0.03 0.00 -0.43 0.00 0.00 46.19 42.79 1wb4 s LEU 1051CO -0.15 -0.22 -0.12 -0.69 -0.29 0.00 0.00 176.35 174.88 1wb4 s VAL 1052N 1.71 2.51 -0.31 1.68 1.01 -1.26 -1.16 120.40 124.58 1wb4 s VAL 1052Ca 0.27 -1.06 -0.22 0.00 0.00 0.00 0.00 61.98 60.97 1wb4 s VAL 1052Cb -0.16 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1wb4 s VAL 1052CO 0.10 0.29 0.71 0.00 0.00 0.00 0.00 175.10 176.21 1wb4 s ALA 1053N 1.29 3.53 0.12 5.51 0.00 -0.04 -4.75 121.76 127.41 1wb4 s ALA 1053Ca 0.01 -0.52 -0.31 0.00 0.00 0.00 0.00 51.96 51.13 1wb4 s ALA 1053Cb -0.16 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.66 1wb4 s ALA 1053CO -0.07 -1.14 1.60 -2.14 0.00 0.00 0.00 175.76 174.01 1wb4 s PRO 1054N 2.79 4.21 0.00 0.00 0.02 -1.26 -0.71 135.00 140.05 1wb4 s PRO 1054Ca 0.29 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.65 1wb4 s PRO 1054Cb -0.14 -3.36 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1wb4 s PRO 1054CO 0.12 -0.66 0.00 0.41 -0.33 0.00 0.00 177.00 176.54 1wb4 n GLY 1055N 3.86 1.97 3.77 0.52 0.00 -1.26 -4.86 105.19 109.18 1wb4 n GLY 1055Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.77 1wb4 n GLY 1055CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wb4 s ALA 1056N -2.93 3.38 0.50 4.61 0.00 -1.07 -4.59 121.76 121.66 1wb4 s ALA 1056Ca 0.00 0.49 0.08 0.00 0.00 0.00 0.00 51.96 52.53 1wb4 s ALA 1056Cb 0.00 -3.09 0.04 0.00 0.00 0.00 0.00 23.12 20.07 1wb4 s ALA 1056CO 0.00 0.25 0.57 0.95 0.00 0.00 0.00 175.76 177.52 1wb4 s THR 1057N -1.21 2.33 -1.23 0.00 -4.23 -1.26 -1.28 115.64 108.76 1wb4 s THR 1057Ca 0.39 -1.19 -0.20 0.00 -1.18 0.00 0.00 61.69 59.52 1wb4 s THR 1057Cb -0.24 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.12 1wb4 s THR 1057CO 0.29 0.00 1.73 -2.28 -0.54 0.00 0.00 174.62 173.82 1wb4 s HIS 1058N -2.58 2.59 -0.26 3.99 2.46 -1.26 -4.75 115.29 115.47 1wb4 s HIS 1058Ca 0.51 -1.13 -0.20 0.00 0.47 0.00 0.00 55.06 54.71 1wb4 s HIS 1058Cb -0.05 -4.61 0.07 0.00 -0.13 0.00 0.00 32.58 27.85 1wb4 s HIS 1058CO 0.31 -1.73 0.66 -0.46 -2.47 0.00 0.00 174.74 171.05 1wb4 s TRP 1059N 5.55 -0.85 0.60 3.88 -0.00 -1.26 -5.04 118.94 121.82 1wb4 s TRP 1059Ca 0.55 1.89 0.30 0.00 -0.00 0.00 0.00 56.10 58.85 1wb4 s TRP 1059Cb 0.02 0.40 1.70 0.00 -0.00 0.00 0.00 33.47 35.59 1wb4 s TRP 1059CO 0.06 -0.42 2.08 -1.49 -0.00 0.00 0.00 176.95 177.18 1wb4 h TRP 1060N 5.91 0.00 -0.80 5.86 4.06 -1.91 -1.50 115.95 127.58 1wb4 h TRP 1060Ca -0.30 0.00 0.08 0.00 2.06 0.00 0.00 58.89 60.73 1wb4 h TRP 1060Cb 1.19 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 29.30 1wb4 h TRP 1060CO 0.26 0.00 0.52 0.78 -3.56 0.00 0.00 178.44 176.44 1wb4 h GLY 1061N 0.00 1.08 0.33 1.49 0.00 -1.94 -1.54 103.07 102.49 1wb4 h GLY 1061Ca 0.08 -0.33 -0.21 0.00 0.00 0.00 0.00 47.33 46.87 1wb4 h GLY 1061CO -0.00 0.22 -1.11 -0.97 0.00 0.00 0.00 176.54 174.67 1wb4 h TYR 1062N 0.80 0.26 -0.15 5.60 0.05 -1.60 -3.41 116.97 118.52 1wb4 h TYR 1062Ca 0.36 -0.19 -0.02 0.00 0.05 0.00 0.00 58.73 58.92 1wb4 h TYR 1062Cb 0.34 -0.01 -0.01 0.00 1.01 0.00 0.00 36.73 38.06 1wb4 h TYR 1062CO -0.00 1.43 -0.01 0.28 -1.05 0.00 0.00 178.16 178.81 1wb4 h VAL 1063N -0.59 1.11 -0.59 -2.88 2.07 -1.02 -0.60 116.25 113.74 1wb4 h VAL 1063Ca -0.26 -0.42 0.10 0.00 0.82 0.00 0.00 66.70 66.95 1wb4 h VAL 1063Cb 1.52 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 1wb4 h VAL 1063CO -0.01 0.14 0.40 0.08 0.02 0.00 0.00 177.57 178.19 1wb4 h ARG 1064N 0.21 0.36 0.00 1.57 0.11 -1.52 -0.31 114.38 114.81 1wb4 h ARG 1064Ca 0.05 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.04 1wb4 h ARG 1064Cb 0.17 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.16 1wb4 h ARG 1064CO 0.00 0.24 -0.31 0.45 0.10 0.00 0.00 179.97 180.45 1wb4 h HIS 1065N 0.38 0.00 -0.56 4.08 3.86 -1.35 -2.30 115.15 119.25 1wb4 h HIS 1065Ca 0.27 0.00 -0.07 0.00 -1.16 0.00 0.00 60.37 59.41 1wb4 h HIS 1065Cb 0.57 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.02 1wb4 h HIS 1065CO -0.00 0.31 0.05 1.88 0.86 0.00 0.00 177.93 181.03 1wb4 h TYR 1066N 0.00 0.98 -0.40 2.45 0.05 -1.05 -0.49 116.97 118.50 1wb4 h TYR 1066Ca -0.00 -0.13 -0.07 0.00 0.05 0.00 0.00 58.73 58.58 1wb4 h TYR 1066Cb 0.71 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 38.17 1wb4 h TYR 1066CO 0.00 0.86 -0.01 0.82 -1.05 0.00 0.00 178.16 178.78 1wb4 h ILE 1067N 0.86 1.26 -0.88 -2.88 2.04 -1.36 0.68 117.51 117.24 1wb4 h ILE 1067Ca 0.17 -1.04 0.12 0.00 1.00 0.00 0.00 64.86 65.11 1wb4 h ILE 1067Cb 0.44 1.14 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 1wb4 h ILE 1067CO 0.02 0.35 0.51 0.22 0.00 0.00 0.00 178.15 179.25 1wb4 h TYR 1068N 0.54 0.92 -0.08 1.37 3.20 -1.16 0.59 116.97 122.35 1wb4 h TYR 1068Ca 0.11 0.03 -0.24 0.00 3.14 0.00 0.00 58.73 61.78 1wb4 h TYR 1068Cb 0.50 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 38.50 1wb4 h TYR 1068CO 0.04 0.34 -0.89 -0.44 -1.64 0.00 0.00 178.16 175.57 1wb4 h ASP 1069N 0.81 0.88 0.14 -2.11 3.32 -0.76 -3.39 116.42 115.31 1wb4 h ASP 1069Ca 0.44 -0.63 -0.36 0.00 0.02 0.00 0.00 57.03 56.50 1wb4 h ASP 1069Cb 0.48 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1wb4 h ASP 1069CO -0.28 1.43 -2.06 0.00 -1.72 0.00 0.00 179.24 176.61 1wb4 n ALA 1070N -2.61 1.05 -0.23 3.45 0.00 0.20 -4.37 120.51 118.01 1wb4 n ALA 1070Ca -0.09 -0.71 0.05 0.00 0.00 0.00 0.00 53.44 52.70 1wb4 n ALA 1070Cb 0.80 -0.59 0.31 0.00 0.00 0.00 0.00 19.45 19.97 1wb4 n ALA 1070CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wb4 h LEU 1071N 0.05 0.76 -2.54 0.00 5.85 -1.07 0.04 115.31 118.40 1wb4 h LEU 1071Ca -0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.28 1wb4 h LEU 1071Cb 2.02 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.89 1wb4 h LEU 1071CO 0.06 0.49 0.08 -0.65 -0.34 0.00 0.00 178.44 178.07 1wb4 h PRO 1072N 0.86 0.00 0.00 5.25 0.11 -1.76 -1.54 132.00 134.92 1wb4 h PRO 1072Ca 0.34 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1wb4 h PRO 1072Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 1wb4 h PRO 1072CO -0.12 0.00 -0.12 0.66 -0.21 0.00 0.00 178.00 178.21 1wb4 n TYR 1073N -2.91 0.62 -3.15 0.65 4.02 0.00 -4.93 117.16 111.47 1wb4 n TYR 1073Ca -0.03 0.18 -0.31 0.00 -0.01 0.00 0.00 57.90 57.73 1wb4 n TYR 1073Cb 0.14 -0.77 -0.05 0.00 -0.02 0.00 0.00 39.34 38.64 1wb4 n TYR 1073CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 1wb4 s PHE 1074N -3.08 3.42 -0.44 -0.72 0.40 -0.58 -4.57 117.98 112.41 1wb4 s PHE 1074Ca 0.11 1.02 0.00 0.00 -0.60 0.00 0.00 56.93 57.46 1wb4 s PHE 1074Cb 0.14 -2.39 0.00 0.00 0.51 0.00 0.00 43.02 41.28 1wb4 s PHE 1074CO 0.61 0.09 0.00 1.19 0.70 0.00 0.00 175.22 177.80 1wb4 n PHE 1075N -0.63 -0.07 0.36 0.36 3.72 -1.26 -4.92 117.46 115.02 1wb4 n PHE 1075Ca 0.02 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.52 1wb4 n PHE 1075Cb 0.53 -1.30 -0.14 0.00 -0.94 0.00 0.00 39.48 37.63 1wb4 n PHE 1075CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1wb4 n HIS 1076N -3.25 0.00 -2.71 1.38 8.25 -1.26 -4.59 115.22 113.03 1wb4 n HIS 1076Ca -0.05 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.99 1wb4 n HIS 1076Cb 0.28 -0.29 -0.03 0.00 1.12 0.00 0.00 29.99 31.07 1wb4 n HIS 1076CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1wb4 s GLU 1077N -3.24 4.35 -1.58 -0.41 0.41 -1.26 -2.77 118.70 114.19 1wb4 s GLU 1077Ca -0.02 1.32 -0.03 0.00 -0.41 0.00 0.00 54.97 55.83 1wb4 s GLU 1077Cb 0.14 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.91 1wb4 s GLU 1077CO 0.85 -0.42 0.44 1.28 -0.49 0.00 0.00 175.26 176.92 1wb4 n LEU 1078N 5.48 -2.47 -4.83 1.80 4.77 -1.26 -4.97 117.00 115.52 1wb4 n LEU 1078Ca 0.09 -0.21 -0.31 0.00 -0.03 0.00 0.00 56.01 55.55 1wb4 n LEU 1078Cb 0.48 -2.92 0.05 0.00 -2.33 0.00 0.00 43.42 38.71 1wb4 n LEU 1078CO 0.51 0.11 0.71 -1.83 -1.33 0.00 0.00 177.39 175.57 1wb4 s GLU 1079N -5.49 2.84 0.03 3.23 -1.05 -1.12 -4.98 118.70 112.16 1wb4 s GLU 1079Ca 0.22 0.83 0.23 0.00 -0.15 0.00 0.00 54.97 56.10 1wb4 s GLU 1079Cb -0.10 -1.99 0.14 0.00 -0.44 0.00 0.00 34.13 31.74 1wb4 s GLU 1079CO 0.27 -1.13 1.12 0.72 0.95 0.00 0.00 175.26 177.18 1wb4 n HIS 1080N -3.14 0.15 -2.70 4.83 8.25 -1.26 -4.86 115.22 116.51 1wb4 n HIS 1080Ca 0.07 0.04 -0.29 0.00 -0.26 0.00 0.00 57.72 57.29 1wb4 n HIS 1080Cb 0.54 -0.32 -0.01 0.00 1.12 0.00 0.00 29.99 31.33 1wb4 n HIS 1080CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1wb4 s HIS 1081N -3.11 3.53 -0.77 4.41 3.76 -1.26 -5.02 115.29 116.83 1wb4 s HIS 1081Ca 0.07 0.92 -0.18 0.00 -0.15 0.00 0.00 55.06 55.71 1wb4 s HIS 1081Cb 0.15 -2.37 0.13 0.00 1.11 0.00 0.00 32.58 31.61 1wb4 s HIS 1081CO 0.78 -0.22 0.89 -1.58 -0.85 0.00 0.00 174.74 173.76 1wb4 s HIS 1082N -2.61 3.17 0.09 1.40 2.46 -1.26 -5.01 115.29 113.53 1wb4 s HIS 1082Ca 0.49 -1.29 0.08 0.00 0.47 0.00 0.00 55.06 54.81 1wb4 s HIS 1082Cb -0.10 -4.10 -0.03 0.00 -0.13 0.00 0.00 32.58 28.22 1wb4 s HIS 1082CO 0.40 -1.34 -0.21 -1.01 -2.47 0.00 0.00 174.74 170.11 1wb4 s HIS 1083N 2.29 1.82 -0.29 3.88 4.02 -1.26 -5.12 115.29 120.63 1wb4 s HIS 1083Ca 0.21 -0.41 -0.01 0.00 1.02 0.00 0.00 55.06 55.87 1wb4 s HIS 1083Cb -0.14 -1.01 0.05 0.00 -1.02 0.00 0.00 32.58 30.46 1wb4 s HIS 1083CO -0.02 0.19 -0.02 -1.01 1.02 0.00 0.00 174.74 174.90 1wb4 s HIS 1084N -1.10 3.23 -0.59 1.40 3.76 -1.26 -5.15 115.29 115.57 1wb4 s HIS 1084Ca 0.07 -1.84 0.05 0.00 -0.15 0.00 0.00 55.06 53.19 1wb4 s HIS 1084Cb -0.10 -2.09 0.04 0.00 1.11 0.00 0.00 32.58 31.54 1wb4 s HIS 1084CO 0.04 -0.79 0.65 0.72 -0.85 0.00 0.00 174.74 174.50