#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jrk s LYS 7 N 0.00 3.67 -0.06 1.97 3.01 -1.26 -5.11 119.74 121.96 2jrk s LYS 7 Ca 0.00 -0.25 -0.30 0.00 -1.01 0.00 0.00 55.97 54.41 2jrk s LYS 7 Cb 0.00 -3.18 0.09 0.00 -1.01 0.00 0.00 37.83 33.73 2jrk s LYS 7 CO 0.00 0.53 0.79 -0.51 0.51 0.00 0.00 175.35 176.67 2jrk s ASP 8 N -0.35 -0.54 -0.29 2.83 1.01 -1.26 -5.15 116.67 112.92 2jrk s ASP 8 Ca 0.10 0.51 0.03 0.00 0.71 0.00 0.00 52.55 53.90 2jrk s ASP 8 Cb -0.12 0.46 0.17 0.00 1.01 0.00 0.00 42.92 44.44 2jrk s ASP 8 CO 0.01 -0.56 0.44 -0.62 0.21 0.00 0.00 175.17 174.66 2jrk s ASP 9 N -1.38 0.05 0.28 0.27 -1.08 -1.26 -5.02 116.67 108.52 2jrk s ASP 9 Ca -0.06 -0.27 0.00 0.00 -0.52 0.00 0.00 52.55 51.70 2jrk s ASP 9 Cb -0.00 1.26 0.00 0.00 -1.46 0.00 0.00 42.92 42.72 2jrk s ASP 9 CO 0.04 -0.34 0.00 2.22 0.52 0.00 0.00 175.17 177.61 2jrk n PHE 10 N 5.37 -2.98 -1.06 -5.34 -1.74 -1.26 -4.80 117.46 105.65 2jrk n PHE 10 Ca 0.01 0.75 0.12 0.00 -0.56 0.00 0.00 57.45 57.77 2jrk n PHE 10 Cb 0.50 1.80 -0.04 0.00 1.52 0.00 0.00 39.48 43.26 2jrk n PHE 10 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2jrk n ARG 11 N -3.20 -1.91 -4.55 3.97 1.74 -1.26 -5.03 116.66 106.42 2jrk n ARG 11 Ca 0.00 1.40 -0.26 0.00 -0.77 0.00 0.00 57.85 58.22 2jrk n ARG 11 Cb 0.00 -2.45 -0.11 0.00 -1.02 0.00 0.00 32.46 28.88 2jrk n ARG 11 CO 0.00 0.00 0.00 -0.80 -1.52 0.00 0.00 177.63 175.31 2jrk s ASN 12 N -5.46 3.60 -0.03 0.55 -0.87 -1.26 -5.17 114.94 106.31 2jrk s ASN 12 Ca 0.00 -1.27 0.01 0.00 -1.57 0.00 0.00 52.86 50.04 2jrk s ASN 12 Cb 0.00 -0.33 0.02 0.00 -0.02 0.00 0.00 41.25 40.91 2jrk s ASN 12 CO 0.00 -0.33 -0.04 -0.70 -2.57 0.00 0.00 177.10 173.46 2jrk s GLU 13 N -3.67 0.66 -0.21 -0.60 2.12 -1.26 -5.14 118.70 110.60 2jrk s GLU 13 Ca 0.33 -0.10 -0.18 0.00 0.36 0.00 0.00 54.97 55.38 2jrk s GLU 13 Cb 0.06 -0.69 0.06 0.00 0.26 0.00 0.00 34.13 33.81 2jrk s GLU 13 CO 0.16 -0.04 0.54 0.12 -0.54 0.00 0.00 175.26 175.51 2jrk s PHE 14 N 0.67 -0.63 0.15 5.30 5.36 -1.26 -5.16 117.98 122.42 2jrk s PHE 14 Ca -0.08 1.49 -0.20 0.00 -0.96 0.00 0.00 56.93 57.17 2jrk s PHE 14 Cb -0.12 0.24 0.05 0.00 -0.34 0.00 0.00 43.02 42.85 2jrk s PHE 14 CO -0.00 -0.31 0.51 0.34 -1.46 0.00 0.00 175.22 174.31 2jrk s ASP 15 N 0.46 -0.41 0.90 6.13 2.15 -1.26 -5.17 116.67 119.47 2jrk s ASP 15 Ca -0.01 -0.17 -0.12 0.00 0.43 0.00 0.00 52.55 52.68 2jrk s ASP 15 Cb -0.04 0.55 0.13 0.00 -0.30 0.00 0.00 42.92 43.26 2jrk s ASP 15 CO -0.02 -0.93 1.10 -1.38 -0.17 0.00 0.00 175.17 173.77 2jrk s HIS 16 N -3.78 2.37 0.16 -5.34 -3.43 -1.26 -5.10 115.29 98.91 2jrk s HIS 16 Ca 0.02 1.14 0.01 0.00 -0.80 0.00 0.00 55.06 55.43 2jrk s HIS 16 Cb 0.00 -3.20 -0.04 0.00 -1.43 0.00 0.00 32.58 27.91 2jrk s HIS 16 CO -0.12 -2.40 0.03 -0.51 -2.00 0.00 0.00 174.74 169.74 2jrk s LEU 17 N -6.18 1.95 0.00 5.38 1.43 -1.26 -5.19 118.68 114.81 2jrk s LEU 17 Ca 0.63 -1.20 0.03 0.00 -1.03 0.00 0.00 54.13 52.56 2jrk s LEU 17 Cb -0.17 0.09 -0.01 0.00 0.03 0.00 0.00 46.19 46.13 2jrk s LEU 17 CO 0.56 -0.64 0.10 0.18 0.23 0.00 0.00 176.35 176.78 2jrk n LEU 18 N -0.20 0.00 -3.23 1.79 4.77 -1.26 -4.85 117.00 114.02 2jrk n LEU 18 Ca -0.06 -2.17 -0.26 0.00 -0.03 0.00 0.00 56.01 53.50 2jrk n LEU 18 Cb 0.64 0.70 0.02 0.00 -2.33 0.00 0.00 43.42 42.44 2jrk n LEU 18 CO 0.33 -0.33 -0.21 2.30 -1.33 0.00 0.00 177.39 178.14 2jrk n ILE 19 N -0.65 -2.75 -2.39 -0.08 -5.35 -1.26 -4.11 119.36 102.77 2jrk n ILE 19 Ca -0.04 0.02 -0.02 0.00 -0.27 0.00 0.00 62.75 62.44 2jrk n ILE 19 Cb 0.43 -2.49 -0.01 0.00 -1.74 0.00 0.00 39.64 35.82 2jrk n ILE 19 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2jrk n GLU 20 N -1.11 -2.99 0.17 6.28 4.71 -1.26 -4.31 120.64 122.13 2jrk n GLU 20 Ca -0.16 2.44 0.18 0.00 -0.01 0.00 0.00 57.16 59.62 2jrk n GLU 20 Cb 0.54 -4.28 0.80 0.00 -1.01 0.00 0.00 31.44 27.49 2jrk n GLU 20 CO 0.00 0.00 0.00 0.37 0.09 0.00 0.00 177.13 177.59 2jrk h GLN 21 N 2.61 0.00 0.41 3.49 4.15 -1.88 0.94 115.11 124.83 2jrk h GLN 21 Ca -0.16 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.24 2jrk h GLN 21 Cb 0.35 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.04 2jrk h GLN 21 CO 0.05 0.00 -0.20 0.00 -1.93 0.00 0.00 178.83 176.75 2jrk h ALA 22 N 1.68 -0.55 -0.23 3.38 0.00 -1.83 0.22 119.26 121.92 2jrk h ALA 22 Ca 0.12 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2jrk h ALA 22 Cb 0.69 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2jrk h ALA 22 CO -0.00 -0.77 -0.00 -0.97 0.00 0.00 0.00 179.25 177.51 2jrk h ASN 23 N -0.63 0.41 -0.26 0.00 -0.73 -1.39 -2.65 115.58 110.32 2jrk h ASN 23 Ca -0.06 -0.31 -0.00 0.00 1.87 0.00 0.00 56.30 57.80 2jrk h ASN 23 Cb 0.47 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.93 2jrk h ASN 23 CO 0.09 0.62 0.16 0.45 -0.37 0.00 0.00 177.43 178.38 2jrk h HIS 24 N 0.18 0.36 0.11 0.67 3.86 -0.96 0.18 115.15 119.55 2jrk h HIS 24 Ca 0.07 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.27 2jrk h HIS 24 Cb 0.41 -0.12 0.00 0.00 1.06 0.00 0.00 27.41 28.76 2jrk h HIS 24 CO 0.04 0.25 -0.05 0.00 0.86 0.00 0.00 177.93 179.02 2jrk h ALA 25 N 1.80 -0.14 -0.12 2.45 0.00 -0.70 0.14 119.26 122.68 2jrk h ALA 25 Ca 0.10 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2jrk h ALA 25 Cb -0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2jrk h ALA 25 CO -0.02 -0.46 -0.62 -0.84 0.00 0.00 0.00 179.25 177.31 2jrk h ILE 26 N -0.38 1.35 0.80 0.00 3.07 -1.27 0.21 117.51 121.29 2jrk h ILE 26 Ca -0.01 -1.94 -0.04 0.00 1.55 0.00 0.00 64.86 64.42 2jrk h ILE 26 Cb 0.32 1.93 0.01 0.00 -0.27 0.00 0.00 36.82 38.81 2jrk h ILE 26 CO 0.02 0.59 -0.39 -0.08 -1.05 0.00 0.00 178.15 177.25 2jrk h GLU 27 N 0.32 -1.04 -0.06 0.16 4.81 -0.63 0.66 114.58 118.80 2jrk h GLU 27 Ca -0.01 0.07 -0.12 0.00 -0.13 0.00 0.00 59.36 59.17 2jrk h GLU 27 Cb 1.16 0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.76 2jrk h GLU 27 CO 0.11 -0.69 -0.50 0.87 -0.73 0.00 0.00 179.01 178.06 2jrk h LYS 28 N -1.12 0.16 -0.18 1.92 1.79 -0.81 -1.40 116.57 116.93 2jrk h LYS 28 Ca -0.11 -0.09 -0.08 0.00 -2.18 0.00 0.00 60.65 58.19 2jrk h LYS 28 Cb 0.83 0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 31.48 2jrk h LYS 28 CO 0.18 0.63 -0.20 0.78 -1.08 0.00 0.00 179.45 179.76 2jrk h GLY 29 N 1.41 0.49 1.33 3.86 0.00 -0.58 0.17 103.07 109.76 2jrk h GLY 29 Ca 0.00 -0.52 -0.20 0.00 0.00 0.00 0.00 47.33 46.62 2jrk h GLY 29 CO 0.07 0.47 -0.71 0.83 0.00 0.00 0.00 176.54 177.20 2jrk h GLU 30 N 0.10 0.67 -0.57 4.80 4.39 -0.88 0.22 114.58 123.32 2jrk h GLU 30 Ca 0.02 -0.51 -0.10 0.00 0.34 0.00 0.00 59.36 59.12 2jrk h GLU 30 Cb 0.75 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2jrk h GLU 30 CO 0.05 1.13 -0.02 0.45 -1.16 0.00 0.00 179.01 179.46 2jrk h HIS 31 N 0.47 1.11 0.00 4.33 3.86 -1.30 -2.74 115.15 120.88 2jrk h HIS 31 Ca -0.03 -0.20 -0.07 0.00 -1.16 0.00 0.00 60.37 58.91 2jrk h HIS 31 Cb 1.31 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.48 2jrk h HIS 31 CO 0.07 1.00 -0.35 1.96 0.86 0.00 0.00 177.93 181.47 2jrk h GLN 32 N 0.90 0.00 -0.90 2.45 1.08 -0.58 -2.77 115.11 115.28 2jrk h GLN 32 Ca 0.16 0.00 0.03 0.00 -1.45 0.00 0.00 58.65 57.38 2jrk h GLN 32 Cb 0.57 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.95 2jrk h GLN 32 CO 0.03 0.35 0.59 -0.07 -0.95 0.00 0.00 178.83 178.78 2jrk h LEU 33 N 0.00 0.99 -0.42 1.46 3.38 -0.26 0.44 115.31 120.90 2jrk h LEU 33 Ca -0.00 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2jrk h LEU 33 Cb 0.74 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2jrk h LEU 33 CO 0.05 0.69 0.27 0.25 0.09 0.00 0.00 178.44 179.79 2jrk h LEU 34 N 1.16 0.47 -1.00 1.67 5.85 -1.33 -2.88 115.31 119.25 2jrk h LEU 34 Ca 0.35 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.97 2jrk h LEU 34 Cb -0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 2jrk h LEU 34 CO -0.10 0.34 -0.26 0.22 -0.34 0.00 0.00 178.44 178.30 2jrk h TYR 35 N 0.56 0.46 0.00 1.25 3.20 -1.12 -2.97 116.97 118.34 2jrk h TYR 35 Ca 0.16 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.93 2jrk h TYR 35 Cb -0.05 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.11 2jrk h TYR 35 CO -0.05 0.64 0.00 -0.07 -1.64 0.00 0.00 178.16 177.04 2jrk h LEU 36 N 0.37 0.00 -2.22 2.82 -0.00 0.07 -0.17 115.31 116.18 2jrk h LEU 36 Ca 0.06 0.00 0.04 0.00 -0.00 0.00 0.00 57.88 57.98 2jrk h LEU 36 Cb 0.65 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.30 2jrk h LEU 36 CO 0.05 0.00 0.26 1.56 -0.00 0.00 0.00 178.44 180.31 2jrk h GLN 37 N 0.00 0.00 0.00 1.13 4.20 -1.40 -0.92 115.11 118.12 2jrk h GLN 37 Ca 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2jrk h GLN 37 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 2jrk h GLN 37 CO 0.00 0.00 -0.61 0.45 -0.67 0.00 0.00 178.83 178.00 2jrk h HIS 38 N 0.00 0.00 0.00 2.96 3.86 -1.23 -3.21 115.15 117.52 2jrk h HIS 38 Ca 0.07 0.00 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 2jrk h HIS 38 Cb 0.59 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 2jrk h HIS 38 CO 0.00 0.61 -0.29 1.96 0.86 0.00 0.00 177.93 181.07 2jrk h GLN 39 N 0.00 0.00 -0.28 2.45 7.50 -1.31 -0.98 115.11 122.50 2jrk h GLN 39 Ca -0.01 0.00 0.04 0.00 0.50 0.00 0.00 58.65 59.18 2jrk h GLN 39 Cb 1.33 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.82 2jrk h GLN 39 CO 0.08 0.29 0.05 -0.07 -1.50 0.00 0.00 178.83 177.68 2jrk h LEU 40 N 0.00 -0.00 -0.39 1.46 -0.00 -1.55 -1.94 115.31 112.88 2jrk h LEU 40 Ca -0.00 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 57.86 2jrk h LEU 40 Cb 0.62 0.07 -0.01 0.00 -0.00 0.00 0.00 40.66 41.33 2jrk h LEU 40 CO 0.04 0.03 -0.01 0.44 -0.00 0.00 0.00 178.44 178.94 2jrk h ASP 41 N 0.15 0.69 -0.81 -0.43 3.32 -1.49 0.19 116.42 118.04 2jrk h ASP 41 Ca 0.13 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 56.87 2jrk h ASP 41 Cb 0.14 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.46 2jrk h ASP 41 CO -0.18 0.83 0.53 1.05 -1.72 0.00 0.00 179.24 179.76 2jrk h GLU 42 N 0.52 1.08 0.05 3.56 4.11 -1.10 -2.07 114.58 120.72 2jrk h GLU 42 Ca 0.11 -0.07 -0.24 0.00 0.07 0.00 0.00 59.36 59.23 2jrk h GLU 42 Cb 0.48 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 2jrk h GLU 42 CO 0.02 0.72 -1.14 1.25 0.07 0.00 0.00 179.01 179.93 2jrk h LEU 43 N 1.11 0.16 -1.88 3.06 7.12 -1.32 -3.31 115.31 120.25 2jrk h LEU 43 Ca 0.30 -0.18 0.16 0.00 0.13 0.00 0.00 57.88 58.29 2jrk h LEU 43 Cb -0.12 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 39.93 2jrk h LEU 43 CO -0.06 1.14 0.44 -0.55 -0.13 0.00 0.00 178.44 179.28 2jrk h ASN 44 N 0.03 0.11 0.38 1.25 -1.07 0.10 0.23 115.58 116.61 2jrk h ASN 44 Ca -0.07 0.01 -0.03 0.00 0.07 0.00 0.00 56.30 56.27 2jrk h ASN 44 Cb 1.86 -0.02 -0.00 0.00 -2.07 0.00 0.00 38.32 38.09 2jrk h ASN 44 CO 0.15 0.06 -0.15 -0.33 0.07 0.00 0.00 177.43 177.23 2jrk h GLU 45 N 0.12 0.00 0.12 4.14 5.08 -1.59 -1.54 114.58 120.90 2jrk h GLU 45 Ca 0.30 0.00 -0.32 0.00 -1.00 0.00 0.00 59.36 58.34 2jrk h GLU 45 Cb 1.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.27 2jrk h GLU 45 CO -0.04 0.15 -1.71 -0.91 -1.00 0.00 0.00 179.01 175.51 2jrk h ASN 46 N 0.00 0.39 -0.51 1.42 4.21 -0.76 -3.38 115.58 116.94 2jrk h ASN 46 Ca -0.00 -0.87 -0.07 0.00 1.21 0.00 0.00 56.30 56.57 2jrk h ASN 46 Cb 0.38 -0.13 -0.04 0.00 -1.12 0.00 0.00 38.32 37.42 2jrk h ASN 46 CO 0.02 1.74 0.09 2.29 -1.29 0.00 0.00 177.43 180.28 2jrk n LYS 47 N -3.74 3.72 -1.50 0.81 -0.00 -0.55 -4.97 118.16 111.93 2jrk n LYS 47 Ca -0.29 -2.46 -0.13 0.00 -0.00 0.00 0.00 58.31 55.43 2jrk n LYS 47 Cb 0.97 -2.08 -0.10 0.00 -0.00 0.00 0.00 35.03 33.82 2jrk n LYS 47 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 2jrk n SER 48 N 0.27 0.85 0.00 -5.58 3.41 -0.58 -4.50 113.62 107.48 2jrk n SER 48 Ca 0.26 -1.91 0.00 0.00 -0.26 0.00 0.00 58.87 56.97 2jrk n SER 48 Cb 1.07 -1.48 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 2jrk n SER 48 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jrk n LYS 49 N 7.69 0.00 0.05 4.33 4.76 -1.26 -5.06 118.16 128.67 2jrk n LYS 49 Ca 0.40 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2jrk n LYS 49 Cb 0.44 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.63 2jrk n LYS 49 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 2jrk n GLU 50 N -0.69 0.00 0.04 1.97 -0.58 -1.26 -4.82 120.64 115.29 2jrk n GLU 50 Ca 0.00 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 56.76 2jrk n GLU 50 Cb 0.00 0.00 0.12 0.00 -0.57 0.00 0.00 31.44 30.99 2jrk n GLU 50 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2jrk n LEU 51 N -2.78 0.11 0.28 -4.62 4.77 -1.26 -2.45 117.00 111.05 2jrk n LEU 51 Ca 0.00 0.47 0.18 0.00 -0.03 0.00 0.00 56.01 56.63 2jrk n LEU 51 Cb 0.00 -0.47 0.95 0.00 -2.33 0.00 0.00 43.42 41.58 2jrk n LEU 51 CO 0.00 -0.50 1.15 0.06 -1.33 0.00 0.00 177.39 176.77 2jrk h GLN 52 N 0.00 0.00 -0.00 3.23 3.07 -1.88 0.13 115.11 119.66 2jrk h GLN 52 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jrk h GLN 52 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 2jrk h GLN 52 CO 0.00 0.00 -0.36 -1.91 0.09 0.00 0.00 178.83 176.65 2jrk n GLU 53 N -3.45 3.95 -0.06 0.06 2.13 -1.02 -4.58 120.64 117.66 2jrk n GLU 53 Ca -0.01 -0.08 -0.10 0.00 0.66 0.00 0.00 57.16 57.63 2jrk n GLU 53 Cb 0.23 -0.92 -0.05 0.00 0.27 0.00 0.00 31.44 30.97 2jrk n GLU 53 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2jrk n LYS 54 N -1.06 0.27 0.12 5.31 5.02 -0.72 -4.29 118.16 122.81 2jrk n LYS 54 Ca 0.02 0.08 -0.02 0.00 -2.02 0.00 0.00 58.31 56.37 2jrk n LYS 54 Cb 0.14 -1.11 0.17 0.00 -0.02 0.00 0.00 35.03 34.21 2jrk n LYS 54 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2jrk h ILE 55 N -0.16 1.40 -0.96 -0.18 6.09 -1.09 -0.59 117.51 122.03 2jrk h ILE 55 Ca -0.27 -1.95 0.18 0.00 -1.37 0.00 0.00 64.86 61.45 2jrk h ILE 55 Cb 1.34 2.02 -0.09 0.00 0.47 0.00 0.00 36.82 40.57 2jrk h ILE 55 CO -0.09 0.57 0.61 -0.29 -3.07 0.00 0.00 178.15 175.87 2jrk h ILE 56 N 0.07 0.73 0.23 2.19 2.10 -1.81 0.67 117.51 121.69 2jrk h ILE 56 Ca -0.00 -0.22 -0.34 0.00 1.08 0.00 0.00 64.86 65.37 2jrk h ILE 56 Cb 1.04 0.03 0.03 0.00 -1.09 0.00 0.00 36.82 36.82 2jrk h ILE 56 CO 0.08 0.12 -1.56 0.03 -1.08 0.00 0.00 178.15 175.74 2jrk h ARG 57 N 0.65 0.48 -0.14 2.19 3.08 -1.57 -2.51 114.38 116.56 2jrk h ARG 57 Ca 0.52 -0.83 -0.07 0.00 0.07 0.00 0.00 59.98 59.67 2jrk h ARG 57 Cb 0.94 0.31 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2jrk h ARG 57 CO -0.27 1.39 -0.19 0.93 -1.07 0.00 0.00 179.97 180.76 2jrk h GLU 58 N 0.13 0.37 -0.49 0.04 4.39 -0.77 0.15 114.58 118.40 2jrk h GLU 58 Ca -0.28 -0.22 -0.08 0.00 0.34 0.00 0.00 59.36 59.12 2jrk h GLU 58 Cb 2.14 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.79 2jrk h GLU 58 CO 0.24 0.80 -0.01 1.25 -1.16 0.00 0.00 179.01 180.13 2jrk h LEU 59 N -0.02 0.86 -1.53 1.33 6.46 -1.06 -2.28 115.31 119.07 2jrk h LEU 59 Ca 0.01 -0.31 0.02 0.00 -0.12 0.00 0.00 57.88 57.48 2jrk h LEU 59 Cb 0.76 -0.23 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2jrk h LEU 59 CO 0.05 0.96 0.34 -0.78 -0.62 0.00 0.00 178.44 178.39 2jrk h ASP 60 N 0.74 0.54 -0.50 1.25 3.58 -1.39 0.14 116.42 120.78 2jrk h ASP 60 Ca 0.14 -0.01 0.03 0.00 0.42 0.00 0.00 57.03 57.61 2jrk h ASP 60 Cb 0.53 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.41 2jrk h ASP 60 CO 0.03 0.38 0.29 0.58 -2.88 0.00 0.00 179.24 177.64 2jrk h VAL 61 N 0.63 1.03 -0.19 2.25 2.07 -0.42 0.13 116.25 121.75 2jrk h VAL 61 Ca 0.20 -0.20 -0.15 0.00 0.82 0.00 0.00 66.70 67.38 2jrk h VAL 61 Cb 0.03 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.19 2jrk h VAL 61 CO -0.05 0.10 -0.50 1.62 0.02 0.00 0.00 177.57 178.77 2jrk h VAL 62 N 0.57 1.32 -0.06 2.57 3.04 -0.67 -0.31 116.25 122.72 2jrk h VAL 62 Ca 0.21 -1.73 -0.00 0.00 -1.01 0.00 0.00 66.70 64.17 2jrk h VAL 62 Cb 0.05 1.72 -0.00 0.00 -2.01 0.00 0.00 31.29 31.05 2jrk h VAL 62 CO -0.11 0.53 0.02 0.00 -1.01 0.00 0.00 177.57 177.00 2jrk h ALA 64 N 0.82 1.04 -0.24 0.00 0.00 -0.74 -1.31 119.26 118.82 2jrk h ALA 64 Ca 0.02 -0.40 -0.06 0.00 0.00 0.00 0.00 54.91 54.46 2jrk h ALA 64 Cb 0.21 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2jrk h ALA 64 CO -0.00 0.60 -0.10 1.98 0.00 0.00 0.00 179.25 181.72 2jrk h MET 65 N 0.32 0.49 -0.03 0.00 -1.53 -0.99 -2.56 114.93 110.64 2jrk h MET 65 Ca 0.03 -0.21 -0.10 0.00 -3.44 0.00 0.00 59.70 55.98 2jrk h MET 65 Cb 0.81 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.83 2jrk h MET 65 CO 0.06 0.75 -0.46 0.97 0.14 0.00 0.00 176.91 178.37 2jrk h ILE 66 N 0.22 1.33 -0.42 1.77 6.09 -0.92 -1.58 117.51 123.99 2jrk h ILE 66 Ca 0.06 -1.61 0.05 0.00 -1.37 0.00 0.00 64.86 61.99 2jrk h ILE 66 Cb 0.60 1.83 -0.02 0.00 0.47 0.00 0.00 36.82 39.69 2jrk h ILE 66 CO 0.03 0.47 0.28 -0.33 -3.07 0.00 0.00 178.15 175.53 2jrk h GLU 67 N 0.06 0.36 -0.11 2.19 5.08 -1.21 -2.36 114.58 118.59 2jrk h GLU 67 Ca 0.00 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.22 2jrk h GLU 67 Cb 0.84 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 2jrk h GLU 67 CO 0.06 0.24 -0.44 0.78 -1.00 0.00 0.00 179.01 178.65 2jrk h GLY 68 N 0.37 0.28 1.73 -3.84 0.00 -0.86 -3.14 103.07 97.61 2jrk h GLY 68 Ca 0.18 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 47.18 2jrk h GLY 68 CO -0.04 0.26 -0.08 0.00 0.00 0.00 0.00 176.54 176.68 2jrk h ALA 69 N 1.32 1.46 -0.13 3.60 0.00 -1.09 -1.99 119.26 122.43 2jrk h ALA 69 Ca 0.02 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2jrk h ALA 69 Cb 0.87 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2jrk h ALA 69 CO 0.07 0.38 -0.16 0.37 0.00 0.00 0.00 179.25 179.91 2jrk h GLN 70 N 0.33 0.21 0.00 0.00 5.75 -1.49 -1.38 115.11 118.53 2jrk h GLN 70 Ca 0.07 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.47 2jrk h GLN 70 Cb 0.35 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 2jrk h GLN 70 CO 0.02 0.38 -0.21 0.78 -2.65 0.00 0.00 178.83 177.14 2jrk h GLY 71 N 0.77 0.00 1.65 2.39 0.00 -1.41 -1.36 103.07 105.11 2jrk h GLY 71 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.13 2jrk h GLY 71 CO 0.02 0.00 -1.05 0.00 0.00 0.00 0.00 176.54 175.51 2jrk h ALA 72 N 1.79 0.29 -0.17 3.60 0.00 -1.11 -3.36 119.26 120.29 2jrk h ALA 72 Ca -0.00 -0.79 -0.14 0.00 0.00 0.00 0.00 54.91 53.98 2jrk h ALA 72 Cb 0.67 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2jrk h ALA 72 CO 0.03 0.92 -0.48 1.25 0.00 0.00 0.00 179.25 180.97 2jrk h LEU 73 N 0.13 0.48 -2.12 0.00 5.85 -0.82 -3.05 115.31 115.78 2jrk h LEU 73 Ca -0.09 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 2jrk h LEU 73 Cb 1.73 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.63 2jrk h LEU 73 CO 0.17 0.88 -0.05 1.05 -0.34 0.00 0.00 178.44 180.15 2jrk h GLU 74 N 0.35 0.00 0.00 1.25 -0.00 -1.41 -1.71 114.58 113.06 2jrk h GLU 74 Ca 0.02 0.00 -0.09 0.00 -0.00 0.00 0.00 59.36 59.29 2jrk h GLU 74 Cb 0.97 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.71 2jrk h GLU 74 CO 0.08 0.05 -0.42 0.00 -0.00 0.00 0.00 179.01 178.72 2jrk h ARG 75 N 0.00 0.00 0.04 1.06 3.08 -1.68 -2.67 114.38 114.21 2jrk h ARG 75 Ca -0.00 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.81 2jrk h ARG 75 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 2jrk h ARG 75 CO 0.01 0.42 -1.10 0.93 -1.07 0.00 0.00 179.97 179.15 2jrk h GLU 76 N 0.00 0.09 -0.02 0.04 5.08 -1.42 -3.31 114.58 115.05 2jrk h GLU 76 Ca -0.00 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 58.20 2jrk h GLU 76 Cb 0.79 0.06 -0.00 0.00 0.50 0.00 0.00 28.75 30.10 2jrk h GLU 76 CO 0.05 1.07 0.02 1.25 -1.00 0.00 0.00 179.01 180.40 2jrk h LEU 77 N 0.03 0.00 -1.49 1.33 6.46 -1.03 -0.17 115.31 120.44 2jrk h LEU 77 Ca -0.06 0.00 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2jrk h LEU 77 Cb 1.85 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 41.77 2jrk h LEU 77 CO 0.15 0.00 -0.13 0.11 -0.62 0.00 0.00 178.44 177.95 2jrk h LYS 78 N 0.00 0.17 0.00 1.25 1.57 -1.61 -2.16 116.57 115.79 2jrk h LYS 78 Ca 0.01 -0.04 -0.14 0.00 -1.87 0.00 0.00 60.65 58.61 2jrk h LYS 78 Cb 0.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2jrk h LYS 78 CO -0.00 0.31 -0.69 0.00 -0.57 0.00 0.00 179.45 178.50 2jrk h ARG 79 N 0.16 0.00 -2.09 3.15 3.08 -1.21 -3.39 114.38 114.08 2jrk h ARG 79 Ca 0.03 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.51 2jrk h ARG 79 Cb 0.34 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 29.99 2jrk h ARG 79 CO 0.02 0.69 -0.88 0.25 -1.07 0.00 0.00 179.97 178.98 2jrk n THR 80 N -3.43 0.81 -0.68 2.04 -2.24 -1.05 -5.12 114.28 104.62 2jrk n THR 80 Ca 0.00 -4.64 -0.32 0.00 -2.27 0.00 0.00 64.05 56.82 2jrk n THR 80 Cb 0.75 -1.86 0.17 0.00 -2.10 0.00 0.00 70.33 67.29 2jrk n THR 80 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2jrk n ASP 81 N 1.00 -2.08 -2.25 3.42 5.75 -0.84 -4.72 116.55 116.82 2jrk n ASP 81 Ca 0.26 0.02 -0.08 0.00 -0.01 0.00 0.00 54.79 54.98 2jrk n ASP 81 Cb 0.48 -1.09 -0.10 0.00 -1.03 0.00 0.00 41.12 39.38 2jrk n ASP 81 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 2jrk n LEU 82 N -2.14 3.30 0.03 -2.12 7.94 -1.26 -4.01 117.00 118.73 2jrk n LEU 82 Ca 0.03 -2.18 -0.01 0.00 -1.11 0.00 0.00 56.01 52.74 2jrk n LEU 82 Cb 0.58 -0.88 -0.00 0.00 0.53 0.00 0.00 43.42 43.65 2jrk n LEU 82 CO 0.52 0.83 -0.08 -3.20 -1.11 0.00 0.00 177.39 174.35 2jrk n ASN 83 N 2.78 1.06 0.19 1.96 2.85 -1.26 -4.49 115.26 118.34 2jrk n ASN 83 Ca 0.27 0.14 0.07 0.00 -0.11 0.00 0.00 54.58 54.95 2jrk n ASN 83 Cb 0.53 -0.35 0.25 0.00 1.24 0.00 0.00 39.78 41.45 2jrk n ASN 83 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 2jrk h ILE 84 N -0.12 0.65 0.00 -1.44 -0.00 -1.94 -3.30 117.51 111.35 2jrk h ILE 84 Ca 0.00 -1.57 -0.00 0.00 -0.00 0.00 0.00 64.86 63.28 2jrk h ILE 84 Cb 0.12 2.06 -0.00 0.00 -0.00 0.00 0.00 36.82 39.00 2jrk h ILE 84 CO 0.00 0.32 -0.02 0.25 -0.00 0.00 0.00 178.15 178.70 2jrk h LEU 85 N 0.00 0.00 -1.59 0.16 6.46 -1.82 0.02 115.31 118.53 2jrk h LEU 85 Ca -0.00 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.79 2jrk h LEU 85 Cb 1.04 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.94 2jrk h LEU 85 CO 0.04 0.02 0.32 1.05 -0.62 0.00 0.00 178.44 179.25 2jrk h GLU 86 N 0.00 0.51 0.02 1.25 4.11 -1.79 0.25 114.58 118.94 2jrk h GLU 86 Ca -0.00 -0.03 -0.38 0.00 0.07 0.00 0.00 59.36 59.02 2jrk h GLU 86 Cb 0.06 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.15 2jrk h GLU 86 CO 0.00 0.34 -2.18 -2.13 0.07 0.00 0.00 179.01 175.12 2jrk n ARG 87 N -4.47 0.63 0.23 1.06 0.63 -0.61 -4.28 116.66 109.86 2jrk n ARG 87 Ca 0.05 0.29 0.16 0.00 -0.92 0.00 0.00 57.85 57.44 2jrk n ARG 87 Cb 0.15 -1.59 0.85 0.00 0.45 0.00 0.00 32.46 32.32 2jrk n ARG 87 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 2jrk h PHE 88 N -0.51 0.00 -1.64 -0.14 3.04 -1.03 -2.78 116.94 113.88 2jrk h PHE 88 Ca -0.55 0.00 0.51 0.00 3.98 0.00 0.00 57.97 61.91 2jrk h PHE 88 Cb 1.72 0.00 -0.10 0.00 2.56 0.00 0.00 35.95 40.12 2jrk h PHE 88 CO 0.01 0.00 1.13 -0.91 -2.02 0.00 0.00 178.31 176.53 2jrk h ASN 89 N 0.00 0.10 -0.48 0.41 2.35 -1.12 0.35 115.58 117.19 2jrk h ASN 89 Ca 0.06 0.07 0.14 0.00 -0.55 0.00 0.00 56.30 56.02 2jrk h ASN 89 Cb 0.34 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.76 2jrk h ASN 89 CO -0.00 -0.11 0.48 1.88 -1.65 0.00 0.00 177.43 178.03 2jrk h TYR 90 N 0.02 0.00 0.00 1.19 0.05 -1.79 -1.56 116.97 114.88 2jrk h TYR 90 Ca 0.88 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.66 2jrk h TYR 90 Cb 3.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.94 2jrk h TYR 90 CO -0.00 0.00 -0.67 0.39 -1.05 0.00 0.00 178.16 176.83 2jrk n GLU 91 N -3.80 1.84 -0.01 4.88 1.02 0.30 -4.69 120.64 120.18 2jrk n GLU 91 Ca 0.09 0.00 -0.17 0.00 -0.02 0.00 0.00 57.16 57.06 2jrk n GLU 91 Cb 0.67 -0.83 -0.09 0.00 -0.02 0.00 0.00 31.44 31.17 2jrk n GLU 91 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2jrk h GLU 92 N 0.00 0.62 0.00 3.49 4.57 -0.48 0.20 114.58 122.98 2jrk h GLU 92 Ca 0.00 -0.55 -0.03 0.00 -1.18 0.00 0.00 59.36 57.60 2jrk h GLU 92 Cb 0.67 0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.38 2jrk h GLU 92 CO 0.00 1.17 -0.16 0.00 -1.18 0.00 0.00 179.01 178.84 2jrk h ALA 93 N 0.46 1.72 0.00 2.92 0.00 -1.46 0.01 119.26 122.92 2jrk h ALA 93 Ca -0.06 -0.14 -0.22 0.00 0.00 0.00 0.00 54.91 54.49 2jrk h ALA 93 Cb 1.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2jrk h ALA 93 CO 0.14 0.20 -1.11 1.96 0.00 0.00 0.00 179.25 180.44 2jrk h GLN 94 N 0.00 0.00 -0.05 0.00 1.08 -1.62 -0.09 115.11 114.43 2jrk h GLN 94 Ca -0.00 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.08 2jrk h GLN 94 Cb 0.28 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2jrk h GLN 94 CO 0.02 0.83 -0.42 0.00 -0.95 0.00 0.00 178.83 178.32 2jrk h THR 95 N 0.00 1.43 -0.04 -0.54 1.03 -0.11 -1.81 112.91 112.86 2jrk h THR 95 Ca -0.07 -1.86 -0.09 0.00 -0.01 0.00 0.00 66.41 64.37 2jrk h THR 95 Cb 1.78 2.43 -0.01 0.00 -1.07 0.00 0.00 68.15 71.28 2jrk h THR 95 CO 0.11 0.54 -0.41 -0.07 -0.01 0.00 0.00 175.52 175.68 2jrk h LEU 96 N -0.14 0.09 -1.02 0.00 4.07 -1.13 -2.64 115.31 114.54 2jrk h LEU 96 Ca -0.04 -0.04 0.01 0.00 0.08 0.00 0.00 57.88 57.89 2jrk h LEU 96 Cb 1.09 -0.03 -0.05 0.00 1.08 0.00 0.00 40.66 42.76 2jrk h LEU 96 CO 0.08 0.50 0.64 0.77 -1.08 0.00 0.00 178.44 179.35 2jrk h SER 97 N 0.08 1.13 -0.10 -0.43 4.64 -0.97 0.04 113.55 117.93 2jrk h SER 97 Ca 0.01 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2jrk h SER 97 Cb 0.77 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 2jrk h SER 97 CO 0.06 0.83 0.07 0.11 -0.87 0.00 0.00 176.83 177.02 2jrk h LYS 98 N 1.33 0.14 -0.28 4.77 6.56 -1.03 -2.12 116.57 125.94 2jrk h LYS 98 Ca 0.36 -0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.93 2jrk h LYS 98 Cb -0.14 -0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 31.48 2jrk h LYS 98 CO -0.08 0.09 0.15 0.82 -2.06 0.00 0.00 179.45 178.37 2jrk h ILE 99 N 0.14 1.13 -0.68 1.86 1.08 -0.65 0.31 117.51 120.70 2jrk h ILE 99 Ca 0.04 -0.36 -0.06 0.00 -0.39 0.00 0.00 64.86 64.09 2jrk h ILE 99 Cb -0.01 0.86 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 2jrk h ILE 99 CO -0.01 0.13 0.19 0.17 -0.69 0.00 0.00 178.15 177.95 2jrk h LEU 100 N 0.33 0.99 -0.28 1.44 -0.00 -1.15 0.19 115.31 116.84 2jrk h LEU 100 Ca 0.10 -0.19 -0.17 0.00 -0.00 0.00 0.00 57.88 57.62 2jrk h LEU 100 Cb 0.08 -0.26 -0.00 0.00 -0.00 0.00 0.00 40.66 40.48 2jrk h LEU 100 CO -0.01 0.94 -0.48 -0.07 -0.00 0.00 0.00 178.44 178.81 2jrk h LEU 101 N 1.01 0.90 -0.74 0.17 3.38 -1.26 -2.48 115.31 116.30 2jrk h LEU 101 Ca 0.22 -0.53 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2jrk h LEU 101 Cb 0.31 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2jrk h LEU 101 CO -0.00 1.26 0.35 0.11 0.09 0.00 0.00 178.44 180.25 2jrk h LYS 102 N 0.58 1.06 -0.72 1.13 1.57 -0.25 0.28 116.57 120.22 2jrk h LYS 102 Ca 0.02 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.69 2jrk h LYS 102 Cb 1.08 -0.19 -0.05 0.00 0.08 0.00 0.00 32.23 33.15 2jrk h LYS 102 CO 0.11 0.83 0.42 -0.44 -0.57 0.00 0.00 179.45 179.80 2jrk h ASP 103 N 1.03 0.66 0.29 0.86 3.32 -0.46 0.57 116.42 122.69 2jrk h ASP 103 Ca 0.25 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.31 2jrk h ASP 103 Cb 0.12 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2jrk h ASP 103 CO -0.03 0.43 -0.14 -0.07 -1.72 0.00 0.00 179.24 177.71 2jrk h LEU 104 N 0.79 -0.33 0.00 1.55 4.07 -1.33 -2.19 115.31 117.87 2jrk h LEU 104 Ca 0.31 -0.20 0.00 0.00 0.08 0.00 0.00 57.88 58.07 2jrk h LEU 104 Cb 0.14 0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.97 2jrk h LEU 104 CO -0.16 0.08 0.00 0.29 -1.08 0.00 0.00 178.44 177.57 2jrk n LYS 105 N -5.09 0.26 -0.01 1.13 5.02 0.97 0.64 118.16 121.08 2jrk n LYS 105 Ca -0.09 0.10 -0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2jrk n LYS 105 Cb 0.26 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.77 2jrk n LYS 105 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jrk h GLU 106 N 0.00 0.00 0.01 1.97 4.39 0.06 -3.39 114.58 117.62 2jrk h GLU 106 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2jrk h GLU 106 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2jrk h GLU 106 CO 0.00 0.00 -0.22 1.15 -1.16 0.00 0.00 179.01 178.78 2jrk h THR 107 N -0.09 1.60 -0.83 1.13 2.02 -0.71 0.19 112.91 116.22 2jrk h THR 107 Ca 0.00 -2.06 0.02 0.00 0.77 0.00 0.00 66.41 65.14 2jrk h THR 107 Cb 0.04 2.94 -0.04 0.00 -1.74 0.00 0.00 68.15 69.34 2jrk h THR 107 CO 0.00 0.56 0.55 1.05 0.37 0.00 0.00 175.52 178.05 2jrk h GLU 108 N -0.62 1.06 0.20 6.66 4.11 -0.00 0.11 114.58 126.10 2jrk h GLU 108 Ca -0.03 -0.06 -0.26 0.00 0.07 0.00 0.00 59.36 59.07 2jrk h GLU 108 Cb 1.03 -0.24 0.03 0.00 0.50 0.00 0.00 28.75 30.07 2jrk h GLU 108 CO 0.04 0.70 -1.16 0.37 0.07 0.00 0.00 179.01 179.04 2jrk h GLN 109 N 1.10 0.42 -0.95 1.06 -0.00 -1.55 -2.97 115.11 112.22 2jrk h GLN 109 Ca 0.32 -0.73 0.17 0.00 -0.00 0.00 0.00 58.65 58.41 2jrk h GLN 109 Cb -0.07 0.27 -0.08 0.00 0.00 0.00 0.00 27.48 27.60 2jrk h GLN 109 CO -0.08 1.35 0.60 0.87 0.00 0.00 0.00 178.83 181.57 2jrk h LYS 110 N -0.11 0.68 -0.23 1.69 1.79 -0.56 0.58 116.57 120.41 2jrk h LYS 110 Ca -0.20 -0.04 0.06 0.00 -2.18 0.00 0.00 60.65 58.28 2jrk h LYS 110 Cb 1.91 -0.15 -0.06 0.00 -1.58 0.00 0.00 32.23 32.35 2jrk h LYS 110 CO 0.22 0.45 -0.17 0.28 -1.08 0.00 0.00 179.45 179.14 2jrk h VAL 111 N 0.70 0.52 0.00 0.50 2.07 -0.66 0.15 116.25 119.53 2jrk h VAL 111 Ca 0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.02 2jrk h VAL 111 Cb 0.84 0.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2jrk h VAL 111 CO -0.26 0.00 0.00 0.11 0.02 0.00 0.00 177.57 177.44 2jrk h LYS 112 N -0.17 0.00 0.00 1.57 1.57 -1.17 -2.74 116.57 115.63 2jrk h LYS 112 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 2jrk h LYS 112 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jrk h LYS 112 CO -0.33 0.00 -0.25 -3.47 -0.57 0.00 0.00 179.45 174.83 2jrk n ASP 113 N -2.60 0.34 -4.67 0.86 2.03 0.11 -4.95 116.55 107.67 2jrk n ASP 113 Ca 0.03 0.20 -0.45 0.00 0.52 0.00 0.00 54.79 55.10 2jrk n ASP 113 Cb 0.34 -0.19 -0.03 0.00 -0.72 0.00 0.00 41.12 40.52 2jrk n ASP 113 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2jrk n ILE 114 N -1.65 1.01 -3.62 5.18 5.41 0.40 -5.01 119.36 121.08 2jrk n ILE 114 Ca 0.06 -0.25 -0.21 0.00 1.00 0.00 0.00 62.75 63.34 2jrk n ILE 114 Cb 0.36 -1.48 -0.01 0.00 -0.71 0.00 0.00 39.64 37.80 2jrk n ILE 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2jrk s GLN 115 N -0.50 3.34 0.17 0.38 -2.07 -1.26 -5.07 119.66 114.65 2jrk s GLN 115 Ca 0.67 -0.69 -0.03 0.00 -1.82 0.00 0.00 55.36 53.50 2jrk s GLN 115 Cb -0.64 -2.79 -0.05 0.00 -1.09 0.00 0.00 33.01 28.44 2jrk s GLN 115 CO 0.50 0.21 0.38 0.95 -1.32 0.00 0.00 175.29 176.01 2jrk s THR 116 N -2.16 5.19 0.00 3.63 -4.23 -1.26 -4.75 115.64 112.06 2jrk s THR 116 Ca 0.39 -0.18 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 2jrk s THR 116 Cb -0.09 -3.68 0.00 0.00 1.34 0.00 0.00 72.50 70.07 2jrk s THR 116 CO 0.32 -0.07 0.00 1.67 -0.54 0.00 0.00 174.62 176.00