#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jbr s THR 2 N 0.00 3.60 -0.08 0.00 2.01 -1.26 0.33 115.64 120.25 1jbr s THR 2 Ca 0.00 -0.75 -0.09 0.00 0.31 0.00 0.00 61.69 61.15 1jbr s THR 2 Cb 0.00 -2.82 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1jbr s THR 2 CO 0.00 0.16 0.23 0.26 -0.69 0.00 0.00 174.62 174.58 1jbr s TRP 3 N 1.45 3.64 -0.10 4.92 0.52 0.14 -4.50 118.94 125.00 1jbr s TRP 3 Ca 0.02 0.68 0.02 0.00 0.02 0.00 0.00 56.10 56.84 1jbr s TRP 3 Cb -0.17 -2.05 -0.01 0.00 -1.15 0.00 0.00 33.47 30.09 1jbr s TRP 3 CO -0.00 0.70 -0.17 0.99 0.02 0.00 0.00 176.95 178.50 1jbr s THR 4 N -1.06 2.74 0.17 2.01 2.01 0.73 0.55 115.64 122.80 1jbr s THR 4 Ca 0.18 -0.79 0.09 0.00 0.31 0.00 0.00 61.69 61.49 1jbr s THR 4 Cb -0.14 -2.11 -0.04 0.00 0.01 0.00 0.00 72.50 70.23 1jbr s THR 4 CO 0.08 0.55 -0.19 0.00 -0.69 0.00 0.00 174.62 174.36 1jbr s ILE 6 N -1.97 2.25 -0.07 0.00 1.01 -1.26 -1.38 121.20 119.79 1jbr s ILE 6 Ca 0.17 -0.89 -0.00 0.00 0.00 0.00 0.00 60.65 59.93 1jbr s ILE 6 Cb -0.06 -1.95 0.02 0.00 0.01 0.00 0.00 42.46 40.49 1jbr s ILE 6 CO 0.07 0.53 -0.04 0.21 0.00 0.00 0.00 174.94 175.71 1jbr s ASN 7 N 1.15 1.52 0.09 3.58 3.04 -0.57 -4.65 114.94 119.10 1jbr s ASN 7 Ca 0.01 -0.17 -0.30 0.00 0.04 0.00 0.00 52.86 52.44 1jbr s ASN 7 Cb -0.14 -0.57 -0.06 0.00 -1.54 0.00 0.00 41.25 38.95 1jbr s ASN 7 CO -0.08 -0.11 1.06 -1.10 -3.04 0.00 0.00 177.10 173.83 1jbr s GLN 8 N 1.43 4.57 0.09 0.43 -0.21 0.41 -1.48 119.66 124.91 1jbr s GLN 8 Ca -0.02 1.60 0.06 0.00 0.02 0.00 0.00 55.36 57.02 1jbr s GLN 8 Cb -0.13 -3.36 -0.03 0.00 1.00 0.00 0.00 33.01 30.48 1jbr s GLN 8 CO -0.03 -0.01 -0.16 -0.65 -2.12 0.00 0.00 175.29 172.32 1jbr s GLN 9 N 0.40 0.96 -0.19 2.91 -0.21 -0.29 -0.37 119.66 122.87 1jbr s GLN 9 Ca 0.52 -1.08 -0.19 0.00 0.02 0.00 0.00 55.36 54.62 1jbr s GLN 9 Cb -0.26 -1.01 -0.03 0.00 1.00 0.00 0.00 33.01 32.71 1jbr s GLN 9 CO 0.31 0.22 0.55 -1.17 -2.12 0.00 0.00 175.29 173.08 1jbr s LEU 10 N -1.96 4.16 -0.26 2.90 2.96 -1.26 -0.62 118.68 124.60 1jbr s LEU 10 Ca 0.03 0.75 -0.26 0.00 -0.22 0.00 0.00 54.13 54.43 1jbr s LEU 10 Cb -0.09 -2.77 0.00 0.00 0.50 0.00 0.00 46.19 43.83 1jbr s LEU 10 CO 0.03 -0.19 0.91 0.21 -1.32 0.00 0.00 176.35 175.99 1jbr s ASN 11 N 1.10 6.88 0.38 3.68 3.84 -1.10 -4.94 114.94 124.79 1jbr s ASN 11 Ca 0.26 1.05 0.16 0.00 0.21 0.00 0.00 52.86 54.54 1jbr s ASN 11 Cb -0.16 -2.47 1.03 0.00 -0.55 0.00 0.00 41.25 39.10 1jbr s ASN 11 CO 0.10 -0.62 1.79 -0.65 -2.79 0.00 0.00 177.10 174.93 1jbr h PRO 12 N 7.77 0.46 -5.02 0.43 0.11 -1.96 -3.28 132.00 130.51 1jbr h PRO 12 Ca -0.22 -0.03 -0.67 0.00 0.11 0.00 0.00 66.00 65.19 1jbr h PRO 12 Cb 1.08 -0.10 -0.18 0.00 0.11 0.00 0.00 31.00 31.91 1jbr h PRO 12 CO 0.92 0.30 0.24 0.15 -0.21 0.00 0.00 178.00 179.41 1jbr s LYS 13 N -5.54 3.10 0.00 1.05 1.02 -1.26 -4.54 119.74 113.56 1jbr s LYS 13 Ca -0.09 -1.03 0.00 0.00 0.02 0.00 0.00 55.97 54.86 1jbr s LYS 13 Cb 0.25 -4.21 0.00 0.00 -0.52 0.00 0.00 37.83 33.35 1jbr s LYS 13 CO 0.79 -1.55 0.00 2.41 -0.92 0.00 0.00 175.35 176.09 1jbr n THR 14 N 5.70 -0.45 0.00 2.17 -1.04 -1.23 -4.80 114.28 114.63 1jbr n THR 14 Ca -0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 1jbr n THR 14 Cb 0.44 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.40 1jbr n THR 14 CO 0.00 0.00 0.00 -3.20 -0.64 0.00 0.00 175.07 171.23 1jbr n ASN 15 N 0.00 0.00 -4.48 8.00 5.15 -1.26 -4.35 115.26 118.32 1jbr n ASN 15 Ca 0.00 -0.91 -0.32 0.00 -0.60 0.00 0.00 54.58 52.76 1jbr n ASN 15 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 1jbr n ASN 15 CO 0.00 0.00 0.00 -1.59 1.40 0.00 0.00 177.26 177.07 1jbr s LYS 16 N 1.82 2.31 0.09 1.20 -2.85 -1.26 -4.99 119.74 116.06 1jbr s LYS 16 Ca 0.00 -0.83 -0.25 0.00 -1.00 0.00 0.00 55.97 53.89 1jbr s LYS 16 Cb 0.00 -2.30 -0.06 0.00 -2.06 0.00 0.00 37.83 33.41 1jbr s LYS 16 CO 0.00 0.58 0.78 -1.58 0.10 0.00 0.00 175.35 175.23 1jbr s TRP 17 N -0.85 3.80 0.05 1.78 0.52 -1.26 -2.71 118.94 120.26 1jbr s TRP 17 Ca 0.14 1.54 0.09 0.00 0.02 0.00 0.00 56.10 57.89 1jbr s TRP 17 Cb -0.11 -2.81 -0.03 0.00 -1.15 0.00 0.00 33.47 29.37 1jbr s TRP 17 CO 0.03 0.35 -0.25 -1.21 0.02 0.00 0.00 176.95 175.89 1jbr s GLU 18 N -0.41 1.84 -0.49 4.98 2.02 0.21 -4.90 118.70 121.95 1jbr s GLU 18 Ca 0.38 -1.10 -0.29 0.00 0.02 0.00 0.00 54.97 53.99 1jbr s GLU 18 Cb -0.21 -2.01 0.03 0.00 0.10 0.00 0.00 34.13 32.03 1jbr s GLU 18 CO 0.24 0.52 1.13 -0.51 0.02 0.00 0.00 175.26 176.65 1jbr s ASP 19 N -1.29 6.60 -0.06 -0.19 -0.00 -1.26 -1.14 116.67 119.33 1jbr s ASP 19 Ca 0.12 0.39 -0.11 0.00 -0.00 0.00 0.00 52.55 52.96 1jbr s ASP 19 Cb -0.10 -2.54 -0.05 0.00 -0.00 0.00 0.00 42.92 40.23 1jbr s ASP 19 CO 0.03 -1.26 0.27 -0.54 -0.00 0.00 0.00 175.17 173.66 1jbr s LYS 20 N 4.45 3.66 -0.24 8.23 -0.14 -0.55 -4.94 119.74 130.22 1jbr s LYS 20 Ca 0.47 0.13 -0.06 0.00 -1.36 0.00 0.00 55.97 55.14 1jbr s LYS 20 Cb -0.07 -3.20 -0.02 0.00 -1.68 0.00 0.00 37.83 32.86 1jbr s LYS 20 CO 0.31 0.74 0.02 1.03 -0.76 0.00 0.00 175.35 176.68 1jbr s ARG 21 N -1.06 3.49 0.08 1.68 0.52 -1.26 -1.51 118.95 120.88 1jbr s ARG 21 Ca 0.19 -0.57 0.09 0.00 -0.52 0.00 0.00 55.73 54.93 1jbr s ARG 21 Cb -0.14 -3.17 -0.03 0.00 0.52 0.00 0.00 34.95 32.12 1jbr s ARG 21 CO 0.09 -0.21 -0.24 -0.51 0.02 0.00 0.00 175.30 174.45 1jbr s LEU 22 N 1.54 2.37 0.16 2.53 1.43 -0.48 -4.97 118.68 121.26 1jbr s LEU 22 Ca 0.06 -0.61 0.09 0.00 -1.03 0.00 0.00 54.13 52.64 1jbr s LEU 22 Cb -0.15 -1.34 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1jbr s LEU 22 CO 0.00 0.22 -0.12 -0.76 0.23 0.00 0.00 176.35 175.92 1jbr s LEU 23 N -1.67 2.89 -0.00 1.79 1.43 -1.26 0.08 118.68 121.95 1jbr s LEU 23 Ca 0.14 -0.57 -0.05 0.00 -1.03 0.00 0.00 54.13 52.62 1jbr s LEU 23 Cb -0.10 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.49 1jbr s LEU 23 CO 0.05 0.13 0.11 -0.31 0.23 0.00 0.00 176.35 176.55 1jbr s TYR 24 N -1.53 0.04 -0.14 0.29 1.51 0.19 -4.22 117.35 113.50 1jbr s TYR 24 Ca 0.23 -0.11 -0.17 0.00 -1.01 0.00 0.00 57.07 56.01 1jbr s TYR 24 Cb -0.09 -0.05 -0.04 0.00 -0.11 0.00 0.00 41.96 41.66 1jbr s TYR 24 CO 0.14 -0.22 0.42 0.45 -1.11 0.00 0.00 175.55 175.22 1jbr s SER 25 N -1.10 6.60 0.21 2.29 0.15 -1.26 0.24 113.70 120.82 1jbr s SER 25 Ca -0.12 0.71 -0.06 0.00 0.70 0.00 0.00 55.95 57.18 1jbr s SER 25 Cb -0.07 -2.25 0.16 0.00 -1.71 0.00 0.00 66.02 62.15 1jbr s SER 25 CO 0.01 0.02 1.65 -0.61 1.20 0.00 0.00 173.24 175.52 1jbr h GLN 26 N 6.75 0.91 -0.12 5.44 4.15 -0.52 0.92 115.11 132.64 1jbr h GLN 26 Ca -0.41 -0.31 0.04 0.00 0.77 0.00 0.00 58.65 58.74 1jbr h GLN 26 Cb 1.17 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 28.75 1jbr h GLN 26 CO 0.75 0.96 -0.15 0.00 -1.93 0.00 0.00 178.83 178.46 1jbr h ALA 27 N 1.07 -0.08 -0.38 3.38 0.00 -1.94 0.20 119.26 121.52 1jbr h ALA 27 Ca 0.13 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 1jbr h ALA 27 Cb 0.62 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1jbr h ALA 27 CO 0.04 -0.61 -0.08 0.87 0.00 0.00 0.00 179.25 179.47 1jbr h LYS 28 N -0.19 0.72 -0.48 0.00 1.57 -1.88 -1.98 116.57 114.32 1jbr h LYS 28 Ca 0.09 -0.27 0.07 0.00 -1.87 0.00 0.00 60.65 58.67 1jbr h LYS 28 Cb 0.32 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.53 1jbr h LYS 28 CO -0.23 0.86 0.15 0.00 -0.57 0.00 0.00 179.45 179.66 1jbr h ALA 29 N 0.83 0.57 -0.37 3.86 0.00 -0.46 0.96 119.26 124.65 1jbr h ALA 29 Ca 0.10 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 1jbr h ALA 29 Cb 0.59 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 1jbr h ALA 29 CO 0.04 -0.25 0.09 0.93 0.00 0.00 0.00 179.25 180.05 1jbr h GLU 30 N 0.30 0.54 -0.34 0.00 5.08 -0.85 -2.34 114.58 116.97 1jbr h GLU 30 Ca 0.23 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.46 1jbr h GLU 30 Cb 0.26 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.41 1jbr h GLU 30 CO -0.26 0.50 0.02 1.03 -1.00 0.00 0.00 179.01 179.30 1jbr h SER 31 N 0.53 0.57 -0.41 1.42 0.87 -0.35 -1.98 113.55 114.20 1jbr h SER 31 Ca 0.12 -0.29 0.08 0.00 -1.23 0.00 0.00 61.79 60.48 1jbr h SER 31 Cb 0.20 -0.15 -0.08 0.00 -0.44 0.00 0.00 62.40 61.93 1jbr h SER 31 CO -0.00 0.72 -0.09 0.78 -0.53 0.00 0.00 176.83 177.71 1jbr h ASN 32 N 0.41 -0.37 0.36 6.23 -0.26 -0.36 0.05 115.58 121.64 1jbr h ASN 32 Ca 0.10 0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.93 1jbr h ASN 32 Cb 0.42 0.25 -0.00 0.00 -1.06 0.00 0.00 38.32 37.92 1jbr h ASN 32 CO 0.01 -0.13 -0.15 0.77 -1.06 0.00 0.00 177.43 176.87 1jbr h SER 33 N 0.01 0.00 0.07 5.81 4.64 -1.24 -1.54 113.55 121.31 1jbr h SER 33 Ca 0.20 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1jbr h SER 33 Cb 0.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 1jbr h SER 33 CO -0.42 0.15 -0.04 0.45 -0.87 0.00 0.00 176.83 176.11 1jbr h HIS 34 N 0.00 -0.09 0.00 4.77 3.86 -0.28 -3.14 115.15 120.27 1jbr h HIS 34 Ca -0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1jbr h HIS 34 Cb 0.37 0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.87 1jbr h HIS 34 CO 0.00 0.45 0.00 0.45 0.86 0.00 0.00 177.93 179.69 1jbr h HIS 35 N -0.73 0.00 -4.01 2.45 3.86 -0.90 -3.43 115.15 112.39 1jbr h HIS 35 Ca -0.01 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.74 1jbr h HIS 35 Cb 0.58 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.05 1jbr h HIS 35 CO 0.12 0.00 0.37 0.00 0.86 0.00 0.00 177.93 179.28 1jbr s ALA 36 N -3.92 3.04 0.23 2.45 0.00 -0.60 -5.02 121.76 117.94 1jbr s ALA 36 Ca -0.03 0.54 -0.30 0.00 0.00 0.00 0.00 51.96 52.18 1jbr s ALA 36 Cb 0.11 -3.21 -0.09 0.00 0.00 0.00 0.00 23.12 19.93 1jbr s ALA 36 CO 0.40 -0.05 1.08 -1.25 0.00 0.00 0.00 175.76 175.94 1jbr s PRO 37 N -2.84 4.64 -1.12 0.00 0.04 -1.26 -4.95 135.00 129.52 1jbr s PRO 37 Ca 0.60 1.73 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 1jbr s PRO 37 Cb -0.15 -3.24 0.05 0.00 0.04 0.00 0.00 34.50 31.20 1jbr s PRO 37 CO 0.20 0.18 1.57 -1.17 0.04 0.00 0.00 177.00 177.82 1jbr s LEU 38 N -0.94 3.60 0.15 -3.56 2.96 -1.26 -4.61 118.68 115.02 1jbr s LEU 38 Ca 0.46 -1.77 -0.24 0.00 -0.22 0.00 0.00 54.13 52.36 1jbr s LEU 38 Cb -0.30 -2.57 0.07 0.00 0.50 0.00 0.00 46.19 43.88 1jbr s LEU 38 CO 0.37 -1.45 0.71 -0.94 -1.32 0.00 0.00 176.35 173.72 1jbr s SER 39 N 4.83 -0.44 -0.48 3.68 1.04 -1.26 -5.13 113.70 115.94 1jbr s SER 39 Ca 0.50 -0.14 -0.13 0.00 0.48 0.00 0.00 55.95 56.65 1jbr s SER 39 Cb 0.01 0.57 0.10 0.00 0.10 0.00 0.00 66.02 66.80 1jbr s SER 39 CO -0.03 -0.96 0.39 -0.62 0.98 0.00 0.00 173.24 172.99 1jbr s ASP 40 N -2.74 5.98 -1.02 7.02 2.15 -1.26 -4.27 116.67 122.52 1jbr s ASP 40 Ca 0.05 -1.59 0.00 0.00 0.43 0.00 0.00 52.55 51.43 1jbr s ASP 40 Cb -0.02 -2.12 0.00 0.00 -0.30 0.00 0.00 42.92 40.48 1jbr s ASP 40 CO -0.07 -0.69 0.00 0.61 -0.17 0.00 0.00 175.17 174.84 1jbr n GLY 41 N 5.11 -0.46 0.07 2.66 0.00 0.35 -4.89 105.19 108.03 1jbr n GLY 41 Ca -0.12 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 1jbr n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbr h LYS 42 N 0.00 0.03 -5.40 1.61 1.57 -1.84 -3.44 116.57 109.10 1jbr h LYS 42 Ca -0.28 -0.03 -0.47 0.00 -1.87 0.00 0.00 60.65 58.00 1jbr h LYS 42 Cb 1.20 0.01 0.22 0.00 0.08 0.00 0.00 32.23 33.74 1jbr h LYS 42 CO 0.33 0.77 -2.07 0.25 -0.57 0.00 0.00 179.45 178.16 1jbr n THR 43 N -4.70 0.00 0.21 -0.16 -2.24 -1.26 -4.81 114.28 101.32 1jbr n THR 43 Ca -0.09 -0.23 0.08 0.00 -2.27 0.00 0.00 64.05 61.54 1jbr n THR 43 Cb 0.39 0.00 0.41 0.00 -2.10 0.00 0.00 70.33 69.03 1jbr n THR 43 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1jbr h GLY 44 N -0.90 0.00 0.40 3.38 0.00 -1.71 -2.79 103.07 101.45 1jbr h GLY 44 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1jbr h GLY 44 CO 0.20 0.00 -0.39 -1.14 0.00 0.00 0.00 176.54 175.21 1jbr n SER 45 N -3.46 0.92 0.00 0.19 3.41 -0.70 -4.55 113.62 109.42 1jbr n SER 45 Ca -0.00 -0.73 0.00 0.00 -0.26 0.00 0.00 58.87 57.88 1jbr n SER 45 Cb 0.46 0.24 0.00 0.00 -0.26 0.00 0.00 64.21 64.64 1jbr n SER 45 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1jbr n SER 46 N -0.93 0.00 -4.52 4.04 3.41 -1.05 -5.01 113.62 109.55 1jbr n SER 46 Ca 0.09 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.38 1jbr n SER 46 Cb 0.35 -0.19 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 1jbr n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1jbr s TYR 47 N -3.63 2.76 0.54 7.33 2.02 -1.26 -3.77 117.35 121.33 1jbr s TYR 47 Ca 0.00 -0.12 -0.16 0.00 -0.37 0.00 0.00 57.07 56.42 1jbr s TYR 47 Cb 0.00 -1.59 -0.07 0.00 -0.40 0.00 0.00 41.96 39.90 1jbr s TYR 47 CO 0.00 0.28 1.00 -1.25 -1.57 0.00 0.00 175.55 174.01 1jbr s PRO 48 N -1.16 3.84 0.32 -1.71 0.04 -1.26 -4.65 135.00 130.42 1jbr s PRO 48 Ca 0.14 0.96 -0.04 0.00 0.04 0.00 0.00 61.00 62.10 1jbr s PRO 48 Cb -0.11 -2.12 -0.00 0.00 0.04 0.00 0.00 34.50 32.31 1jbr s PRO 48 CO 0.04 -0.37 0.46 -3.38 0.04 0.00 0.00 177.00 173.80 1jbr s HIS 49 N -2.67 0.93 0.23 0.56 -3.43 -1.11 -0.49 115.29 109.31 1jbr s HIS 49 Ca 0.59 -1.19 -0.31 0.00 -0.80 0.00 0.00 55.06 53.35 1jbr s HIS 49 Cb -0.11 -0.05 -0.10 0.00 -1.43 0.00 0.00 32.58 30.89 1jbr s HIS 49 CO 0.34 -1.09 1.51 -0.46 -2.00 0.00 0.00 174.74 173.05 1jbr s TRP 50 N -3.27 2.99 -0.43 0.38 -0.00 -1.26 -0.69 118.94 116.65 1jbr s TRP 50 Ca 0.29 0.83 0.01 0.00 -0.00 0.00 0.00 56.10 57.24 1jbr s TRP 50 Cb -0.00 -3.90 0.12 0.00 -0.00 0.00 0.00 33.47 29.68 1jbr s TRP 50 CO 0.18 -3.11 0.19 0.12 -0.00 0.00 0.00 176.95 174.33 1jbr s PHE 51 N 0.42 3.56 0.35 5.86 5.36 0.86 -4.78 117.98 129.61 1jbr s PHE 51 Ca 0.64 -2.81 0.10 0.00 -0.96 0.00 0.00 56.93 53.90 1jbr s PHE 51 Cb -0.44 -3.04 0.86 0.00 -0.34 0.00 0.00 43.02 40.07 1jbr s PHE 51 CO 0.40 -0.91 1.83 1.79 -1.46 0.00 0.00 175.22 176.87 1jbr h THR 52 N 6.15 0.74 0.00 0.12 1.35 -1.87 -3.38 112.91 116.02 1jbr h THR 52 Ca -0.07 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 1jbr h THR 52 Cb 1.00 0.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.46 1jbr h THR 52 CO 0.63 0.12 0.00 -3.20 -0.25 0.00 0.00 175.52 172.82 1jbr n ASN 53 N -4.61 -4.22 0.00 5.36 5.15 -1.26 -2.81 115.26 112.87 1jbr n ASN 53 Ca 0.20 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.18 1jbr n ASN 53 Cb 0.58 -2.00 0.00 0.00 -0.53 0.00 0.00 39.78 37.83 1jbr n ASN 53 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1jbr n GLY 54 N -1.01 1.22 3.81 8.20 0.00 -1.26 -3.83 105.19 112.32 1jbr n GLY 54 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1jbr n GLY 54 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jbr s TYR 55 N -2.00 2.13 0.37 1.61 1.51 -1.12 -2.01 117.35 117.83 1jbr s TYR 55 Ca 0.00 -0.74 0.04 0.00 -1.01 0.00 0.00 57.07 55.36 1jbr s TYR 55 Cb 0.00 -1.89 0.04 0.00 -0.11 0.00 0.00 41.96 40.01 1jbr s TYR 55 CO 0.00 -0.05 0.35 -0.40 -1.11 0.00 0.00 175.55 174.35 1jbr n ASP 56 N -1.44 1.95 -0.04 2.29 5.68 -0.58 -4.81 116.55 119.59 1jbr n ASP 56 Ca -0.05 -2.20 -0.06 0.00 -0.50 0.00 0.00 54.79 51.99 1jbr n ASP 56 Cb 0.65 -0.10 0.13 0.00 -1.14 0.00 0.00 41.12 40.65 1jbr n ASP 56 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1jbr h GLY 57 N 0.33 0.69 2.00 6.12 0.00 -1.88 -2.86 103.07 107.47 1jbr h GLY 57 Ca -0.22 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.50 1jbr h GLY 57 CO 0.33 0.55 -0.05 3.43 0.00 0.00 0.00 176.54 180.81 1jbr h ASN 58 N 0.55 0.00 0.00 0.19 2.35 -1.80 0.02 115.58 116.90 1jbr h ASN 58 Ca 0.07 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.82 1jbr h ASN 58 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1jbr h ASN 58 CO 0.06 0.05 0.00 0.61 -1.65 0.00 0.00 177.43 176.50 1jbr n GLY 59 N -0.29 2.15 3.48 2.83 0.00 -1.08 -4.85 105.19 107.43 1jbr n GLY 59 Ca -0.01 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 44.90 1jbr n GLY 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1jbr n LYS 60 N 0.00 0.64 -2.91 1.61 3.00 -1.26 -4.41 118.16 114.83 1jbr n LYS 60 Ca 0.00 0.23 -0.39 0.00 -0.00 0.00 0.00 58.31 58.14 1jbr n LYS 60 Cb 0.00 -1.43 -0.06 0.00 0.00 0.00 0.00 35.03 33.54 1jbr n LYS 60 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1jbr s LEU 61 N 1.81 4.58 -0.01 3.14 1.98 -1.26 -1.53 118.68 127.40 1jbr s LEU 61 Ca 0.62 1.74 -0.21 0.00 -2.89 0.00 0.00 54.13 53.38 1jbr s LEU 61 Cb -0.77 -3.45 -0.05 0.00 0.66 0.00 0.00 46.19 42.58 1jbr s LEU 61 CO 0.58 0.17 0.61 -0.51 -1.89 0.00 0.00 176.35 175.31 1jbr s ILE 62 N -1.21 4.91 -0.01 6.68 2.07 -0.85 -4.91 121.20 127.88 1jbr s ILE 62 Ca 0.39 1.27 -0.40 0.00 -1.41 0.00 0.00 60.65 60.50 1jbr s ILE 62 Cb -0.23 -3.95 -0.20 0.00 0.13 0.00 0.00 42.46 38.21 1jbr s ILE 62 CO 0.28 0.41 1.06 1.17 -1.91 0.00 0.00 174.94 175.94 1jbr n LYS 63 N 2.78 0.00 -0.96 3.50 4.81 -1.26 -1.85 118.16 125.18 1jbr n LYS 63 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1jbr n LYS 63 Cb 0.51 -1.48 0.00 0.00 0.02 0.00 0.00 35.03 34.08 1jbr n LYS 63 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jbr n GLY 64 N 1.51 0.45 3.74 3.14 0.00 -1.26 -5.01 105.19 107.76 1jbr n GLY 64 Ca 0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.86 1jbr n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbr s ARG 65 N -0.51 3.84 -0.61 1.61 1.81 -0.77 -5.06 118.95 119.26 1jbr s ARG 65 Ca 0.00 -0.24 -0.04 0.00 -1.72 0.00 0.00 55.73 53.72 1jbr s ARG 65 Cb 0.00 -3.25 0.16 0.00 -0.45 0.00 0.00 34.95 31.40 1jbr s ARG 65 CO 0.00 0.45 0.43 0.99 -0.68 0.00 0.00 175.30 176.49 1jbr s THR 66 N -0.10 3.87 0.19 0.02 2.01 -1.26 -4.87 115.64 115.50 1jbr s THR 66 Ca 0.09 -2.72 -0.33 0.00 0.31 0.00 0.00 61.69 59.05 1jbr s THR 66 Cb -0.12 -3.52 -0.14 0.00 0.01 0.00 0.00 72.50 68.73 1jbr s THR 66 CO 0.00 -0.86 1.37 -2.65 -0.69 0.00 0.00 174.62 171.80 1jbr n PRO 67 N 3.77 1.76 -2.07 4.92 -0.02 -1.25 -4.93 135.00 137.18 1jbr n PRO 67 Ca 0.06 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.80 1jbr n PRO 67 Cb 0.39 -2.27 0.02 0.00 -0.02 0.00 0.00 33.50 31.62 1jbr n PRO 67 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 1jbr s ILE 68 N 0.15 2.71 -0.47 4.25 1.10 -1.26 -4.99 121.20 122.70 1jbr s ILE 68 Ca 0.73 0.50 -0.11 0.00 -0.51 0.00 0.00 60.65 61.26 1jbr s ILE 68 Cb -0.73 -3.24 0.11 0.00 0.15 0.00 0.00 42.46 38.75 1jbr s ILE 68 CO 0.48 -0.04 0.35 -0.75 -2.11 0.00 0.00 174.94 172.86 1jbr s LYS 69 N -2.98 2.63 0.01 3.50 2.47 -1.26 -4.93 119.74 119.18 1jbr s LYS 69 Ca 0.70 -1.64 -0.21 0.00 -1.56 0.00 0.00 55.97 53.27 1jbr s LYS 69 Cb -0.32 -3.96 -0.19 0.00 -1.46 0.00 0.00 37.83 31.91 1jbr s LYS 69 CO 0.37 -1.13 1.19 0.74 0.16 0.00 0.00 175.35 176.68 1jbr h PHE 70 N 8.53 0.45 0.00 4.03 0.04 -1.94 -3.48 116.94 124.57 1jbr h PHE 70 Ca -0.24 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 60.34 1jbr h PHE 70 Cb 1.08 -0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1jbr h PHE 70 CO 0.64 0.92 0.00 0.41 -0.60 0.00 0.00 178.31 179.69 1jbr n GLY 71 N 0.67 1.86 2.96 -1.45 0.00 -1.26 -4.99 105.19 102.98 1jbr n GLY 71 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1jbr n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jbr s LYS 72 N -0.04 0.27 0.04 1.61 1.02 -1.26 -5.04 119.74 116.34 1jbr s LYS 72 Ca 0.00 -0.44 -0.20 0.00 0.02 0.00 0.00 55.97 55.35 1jbr s LYS 72 Cb 0.00 -0.03 -0.14 0.00 -0.52 0.00 0.00 37.83 37.14 1jbr s LYS 72 CO 0.00 -0.01 1.36 0.00 -0.92 0.00 0.00 175.35 175.79 1jbr h ALA 73 N 5.14 0.22 -0.96 5.17 0.00 -2.01 0.45 119.26 127.26 1jbr h ALA 73 Ca -0.30 -0.31 0.17 0.00 0.00 0.00 0.00 54.91 54.47 1jbr h ALA 73 Cb 1.21 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.85 1jbr h ALA 73 CO 0.44 0.07 0.57 0.22 0.00 0.00 0.00 179.25 180.56 1jbr h ASP 74 N -0.01 0.74 0.00 0.00 3.58 -1.97 -3.08 116.42 115.68 1jbr h ASP 74 Ca 0.03 0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.57 1jbr h ASP 74 Cb 0.64 -0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.64 1jbr h ASP 74 CO 0.03 0.29 -0.00 0.00 -2.88 0.00 0.00 179.24 176.68 1jbr s ASP 76 N -4.83 6.10 -0.29 0.00 1.01 0.16 -4.82 116.67 113.99 1jbr s ASP 76 Ca -0.00 -1.17 -0.16 0.00 0.71 0.00 0.00 52.55 51.94 1jbr s ASP 76 Cb 0.00 -2.57 0.16 0.00 1.01 0.00 0.00 42.92 41.52 1jbr s ASP 76 CO 0.00 -1.87 1.02 -0.60 0.21 0.00 0.00 175.17 173.93 1jbr s ARG 77 N 5.59 0.30 0.11 8.23 3.52 -1.24 -4.56 118.95 130.91 1jbr s ARG 77 Ca 0.52 0.60 -0.32 0.00 -0.13 0.00 0.00 55.73 56.40 1jbr s ARG 77 Cb -0.02 0.18 -0.18 0.00 -1.56 0.00 0.00 34.95 33.37 1jbr s ARG 77 CO -0.06 -0.08 0.74 -2.30 -0.81 0.00 0.00 175.30 172.80 1jbr n PRO 78 N 4.07 0.00 -2.37 5.12 -0.02 -1.26 -4.90 135.00 135.64 1jbr n PRO 78 Ca -0.15 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 60.99 1jbr n PRO 78 Cb 0.56 -1.19 -0.01 0.00 -0.02 0.00 0.00 33.50 32.83 1jbr n PRO 78 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1jbr s PRO 79 N -0.56 3.56 -0.72 0.52 0.02 -1.26 -4.95 135.00 131.62 1jbr s PRO 79 Ca 0.74 1.44 0.05 0.00 0.02 0.00 0.00 61.00 63.25 1jbr s PRO 79 Cb -1.05 -2.05 0.18 0.00 0.02 0.00 0.00 34.50 31.59 1jbr s PRO 79 CO 0.55 -0.64 0.54 1.17 -0.33 0.00 0.00 177.00 178.29 1jbr n LYS 80 N -1.23 1.95 -4.20 5.54 3.00 0.23 -2.97 118.16 120.48 1jbr n LYS 80 Ca 0.10 -4.51 -0.34 0.00 -0.00 0.00 0.00 58.31 53.56 1jbr n LYS 80 Cb 0.52 -2.30 -0.15 0.00 0.00 0.00 0.00 35.03 33.11 1jbr n LYS 80 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.40 175.82 1jbr s HIS 81 N -1.56 2.87 0.59 5.64 2.46 -0.01 -1.60 115.29 123.68 1jbr s HIS 81 Ca 0.26 -1.06 -0.01 0.00 0.47 0.00 0.00 55.06 54.72 1jbr s HIS 81 Cb -0.03 -1.99 0.04 0.00 -0.13 0.00 0.00 32.58 30.48 1jbr s HIS 81 CO -0.16 -0.54 0.84 -1.54 -2.47 0.00 0.00 174.74 170.88 1jbr s SER 82 N 1.14 5.18 0.25 9.88 1.04 -1.26 -4.28 113.70 125.65 1jbr s SER 82 Ca 0.01 0.16 -0.10 0.00 0.48 0.00 0.00 55.95 56.49 1jbr s SER 82 Cb -0.14 -0.99 0.37 0.00 0.10 0.00 0.00 66.02 65.36 1jbr s SER 82 CO -0.03 -1.25 1.49 1.67 0.98 0.00 0.00 173.24 176.09 1jbr n GLN 83 N -2.50 -0.13 0.00 4.02 7.27 -1.26 -0.60 117.38 124.18 1jbr n GLN 83 Ca 0.08 1.48 0.10 0.00 0.07 0.00 0.00 57.00 58.72 1jbr n GLN 83 Cb 0.60 -2.21 -0.00 0.00 2.41 0.00 0.00 30.24 31.03 1jbr n GLN 83 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1jbr n ASN 84 N -5.51 1.85 -3.64 1.69 6.94 -1.26 -5.00 115.26 110.33 1jbr n ASN 84 Ca 0.14 -1.43 -0.22 0.00 -0.02 0.00 0.00 54.58 53.05 1jbr n ASN 84 Cb 0.45 0.47 0.06 0.00 -2.36 0.00 0.00 39.78 38.39 1jbr n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1jbr n GLY 85 N 1.29 -0.40 0.00 4.83 0.00 0.23 -4.60 105.19 106.54 1jbr n GLY 85 Ca 0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1jbr n GLY 85 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1jbr n MET 86 N -4.45 0.53 -1.88 1.61 0.00 -1.26 -4.65 117.12 107.02 1jbr n MET 86 Ca -0.17 -0.67 -0.42 0.00 0.00 0.00 0.00 57.70 56.43 1jbr n MET 86 Cb 0.63 -0.79 -0.03 0.00 0.00 0.00 0.00 33.22 33.02 1jbr n MET 86 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1jbr s GLY 87 N -0.28 1.50 0.57 -5.12 0.00 -1.26 -4.84 107.32 97.89 1jbr s GLY 87 Ca 0.00 1.29 0.20 0.00 0.00 0.00 0.00 44.72 46.20 1jbr s GLY 87 CO 0.00 2.92 1.57 1.70 0.00 0.00 0.00 173.10 179.29 1jbr h LYS 88 N 8.19 0.00 -0.02 2.90 1.63 -2.01 0.27 116.57 127.53 1jbr h LYS 88 Ca -0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.37 1jbr h LYS 88 Cb 1.21 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.84 1jbr h LYS 88 CO 0.93 0.00 -0.05 -0.40 -3.45 0.00 0.00 179.45 176.48 1jbr n ASP 89 N -2.57 2.58 -4.79 4.20 5.75 -1.26 -4.99 116.55 115.46 1jbr n ASP 89 Ca -0.01 -1.79 -0.35 0.00 -0.01 0.00 0.00 54.79 52.63 1jbr n ASP 89 Cb 0.48 0.06 -0.04 0.00 -1.03 0.00 0.00 41.12 40.59 1jbr n ASP 89 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 1jbr s ASP 90 N -1.75 6.45 -0.09 -1.12 1.11 0.95 -4.99 116.67 117.23 1jbr s ASP 90 Ca 0.23 1.95 -0.04 0.00 0.18 0.00 0.00 52.55 54.86 1jbr s ASP 90 Cb 0.17 -2.57 0.04 0.00 1.07 0.00 0.00 42.92 41.63 1jbr s ASP 90 CO 0.28 -0.70 0.21 -1.38 1.18 0.00 0.00 175.17 174.76 1jbr s HIS 91 N -1.91 -0.26 0.11 4.23 -3.43 -0.63 -4.48 115.29 108.93 1jbr s HIS 91 Ca 0.65 0.66 -0.25 0.00 -0.80 0.00 0.00 55.06 55.32 1jbr s HIS 91 Cb -0.18 0.00 0.08 0.00 -1.43 0.00 0.00 32.58 31.06 1jbr s HIS 91 CO 0.22 -0.20 1.11 1.52 -2.00 0.00 0.00 174.74 175.39 1jbr s TYR 92 N 1.15 0.03 -0.09 0.38 -0.85 -1.16 0.74 117.35 117.54 1jbr s TYR 92 Ca -0.09 -0.32 -0.19 0.00 -0.52 0.00 0.00 57.07 55.96 1jbr s TYR 92 Cb -0.10 0.65 -0.04 0.00 0.38 0.00 0.00 41.96 42.84 1jbr s TYR 92 CO -0.07 -0.69 0.51 -0.51 -1.52 0.00 0.00 175.55 173.27 1jbr s LEU 93 N -3.40 4.31 0.03 -3.49 1.43 -1.26 -1.11 118.68 115.19 1jbr s LEU 93 Ca 0.22 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.24 1jbr s LEU 93 Cb -0.01 -2.75 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 1jbr s LEU 93 CO 0.03 0.02 0.02 -0.76 0.23 0.00 0.00 176.35 175.88 1jbr s LEU 94 N 0.46 3.57 0.05 1.79 1.43 0.26 -0.10 118.68 126.15 1jbr s LEU 94 Ca 0.28 -0.03 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 1jbr s LEU 94 Cb -0.16 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 1jbr s LEU 94 CO 0.12 0.25 -0.26 -1.83 0.23 0.00 0.00 176.35 174.85 1jbr s GLU 95 N -1.81 1.75 -0.07 1.70 -1.05 0.13 -1.91 118.70 117.44 1jbr s GLU 95 Ca 0.22 -1.13 -0.08 0.00 -0.15 0.00 0.00 54.97 53.83 1jbr s GLU 95 Cb -0.12 -1.96 0.02 0.00 -0.44 0.00 0.00 34.13 31.64 1jbr s GLU 95 CO 0.13 0.50 0.22 0.12 0.95 0.00 0.00 175.26 177.18 1jbr s PHE 96 N -0.83 -0.21 0.20 4.83 5.36 -0.84 -2.76 117.98 123.73 1jbr s PHE 96 Ca 0.12 0.49 -0.32 0.00 -0.96 0.00 0.00 56.93 56.26 1jbr s PHE 96 Cb -0.10 0.07 -0.12 0.00 -0.34 0.00 0.00 43.02 42.53 1jbr s PHE 96 CO 0.02 -0.15 1.75 -2.30 -1.46 0.00 0.00 175.22 173.08 1jbr n PRO 97 N 2.70 2.80 -4.48 10.12 -0.02 -1.26 -0.11 135.00 144.75 1jbr n PRO 97 Ca -0.14 1.01 -0.21 0.00 -2.02 0.00 0.00 63.50 62.14 1jbr n PRO 97 Cb 0.58 -2.87 -0.15 0.00 -0.02 0.00 0.00 33.50 31.04 1jbr n PRO 97 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1jbr s THR 98 N 1.40 0.90 0.21 3.45 -1.32 -0.90 -4.60 115.64 114.78 1jbr s THR 98 Ca 0.76 -0.45 0.10 0.00 -1.21 0.00 0.00 61.69 60.89 1jbr s THR 98 Cb -0.50 -0.78 -0.05 0.00 -1.51 0.00 0.00 72.50 69.67 1jbr s THR 98 CO 0.33 0.27 -0.19 -0.36 -2.21 0.00 0.00 174.62 172.46 1jbr s PHE 99 N -0.00 1.97 0.19 9.09 0.08 -1.26 -4.36 117.98 123.68 1jbr s PHE 99 Ca -0.00 -0.44 -0.16 0.00 0.12 0.00 0.00 56.93 56.45 1jbr s PHE 99 Cb -0.07 -0.93 0.17 0.00 -0.57 0.00 0.00 43.02 41.61 1jbr s PHE 99 CO 0.00 0.45 1.64 -1.35 -0.10 0.00 0.00 175.22 175.86 1jbr h PRO 100 N 2.85 -0.03 0.00 0.24 0.11 -1.98 0.59 132.00 133.78 1jbr h PRO 100 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1jbr h PRO 100 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1jbr h PRO 100 CO 0.55 -0.02 0.00 -0.40 -0.21 0.00 0.00 178.00 177.92 1jbr n ASP 101 N -5.38 0.00 0.00 -2.05 5.68 -1.26 -4.63 116.55 108.91 1jbr n ASP 101 Ca 0.05 0.21 0.00 0.00 -0.50 0.00 0.00 54.79 54.55 1jbr n ASP 101 Cb 0.29 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 39.96 1jbr n ASP 101 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1jbr n GLY 102 N -0.60 2.38 3.58 6.12 0.00 0.20 -5.01 105.19 111.86 1jbr n GLY 102 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 1jbr n GLY 102 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1jbr n HIS 103 N -2.00 0.45 -2.72 1.61 1.44 -1.26 -4.78 115.22 107.96 1jbr n HIS 103 Ca 0.00 0.43 -0.42 0.00 -2.01 0.00 0.00 57.72 55.72 1jbr n HIS 103 Cb 0.00 -2.09 -0.03 0.00 0.12 0.00 0.00 29.99 27.99 1jbr n HIS 103 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1jbr s ASP 104 N -1.30 7.41 0.21 4.39 1.01 -1.26 -4.60 116.67 122.52 1jbr s ASP 104 Ca 0.75 1.70 -0.30 0.00 0.71 0.00 0.00 52.55 55.41 1jbr s ASP 104 Cb -0.41 -2.58 -0.09 0.00 1.01 0.00 0.00 42.92 40.86 1jbr s ASP 104 CO 0.48 -0.19 1.30 -0.47 0.21 0.00 0.00 175.17 176.50 1jbr s TYR 105 N 0.67 3.25 -1.24 4.23 5.04 -1.26 -4.91 117.35 123.14 1jbr s TYR 105 Ca 0.50 1.25 -0.18 0.00 -2.44 0.00 0.00 57.07 56.20 1jbr s TYR 105 Cb -0.22 -3.60 -0.01 0.00 0.35 0.00 0.00 41.96 38.49 1jbr s TYR 105 CO 0.29 -1.83 1.97 1.63 -1.34 0.00 0.00 175.55 176.26 1jbr n LYS 106 N 2.47 2.53 0.24 4.97 5.02 -1.26 -4.75 118.16 127.39 1jbr n LYS 106 Ca 0.05 -2.67 0.18 0.00 -2.02 0.00 0.00 58.31 53.86 1jbr n LYS 106 Cb 0.43 -3.36 0.87 0.00 -0.02 0.00 0.00 35.03 32.95 1jbr n LYS 106 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 1jbr h PHE 107 N 7.44 0.00 0.00 2.13 -5.15 -1.91 -0.49 116.94 118.97 1jbr h PHE 107 Ca 0.45 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.22 1jbr h PHE 107 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.94 1jbr h PHE 107 CO 1.37 0.00 -0.75 -0.44 -2.00 0.00 0.00 178.31 176.49 1jbr h ASP 108 N 0.00 0.00 -2.57 -0.68 3.32 -1.85 -1.87 116.42 112.77 1jbr h ASP 108 Ca 0.07 -0.15 -0.56 0.00 0.02 0.00 0.00 57.03 56.41 1jbr h ASP 108 Cb 0.55 0.00 0.06 0.00 0.22 0.00 0.00 39.33 40.16 1jbr h ASP 108 CO -0.00 0.07 0.86 -1.54 -1.72 0.00 0.00 179.24 176.92 1jbr n SER 109 N -2.32 3.46 -4.17 6.45 3.41 -0.19 -4.10 113.62 116.17 1jbr n SER 109 Ca 0.02 1.09 -0.24 0.00 -0.26 0.00 0.00 58.87 59.49 1jbr n SER 109 Cb 0.48 -1.50 -0.15 0.00 -0.26 0.00 0.00 64.21 62.78 1jbr n SER 109 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1jbr s LYS 110 N 0.68 1.27 0.00 4.33 2.20 -1.26 -2.79 119.74 124.17 1jbr s LYS 110 Ca 0.75 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1jbr s LYS 110 Cb -0.59 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.46 1jbr s LYS 110 CO 0.38 0.34 0.00 1.63 -0.36 0.00 0.00 175.35 177.34 1jbr n LYS 111 N 2.36 0.00 -2.67 4.03 5.02 -1.26 -4.07 118.16 121.56 1jbr n LYS 111 Ca -0.16 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.70 1jbr n LYS 111 Cb 0.54 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.53 1jbr n LYS 111 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1jbr s PRO 112 N 0.00 4.06 0.91 1.97 0.04 -1.26 -5.14 135.00 135.58 1jbr s PRO 112 Ca 0.00 1.03 -0.11 0.00 0.04 0.00 0.00 61.00 61.96 1jbr s PRO 112 Cb 0.00 -3.73 0.14 0.00 0.04 0.00 0.00 34.50 30.95 1jbr s PRO 112 CO 0.00 -0.86 1.10 -1.59 0.04 0.00 0.00 177.00 175.68 1jbr s LYS 113 N 3.55 1.13 0.20 4.56 -2.85 -1.26 -4.92 119.74 120.15 1jbr s LYS 113 Ca 0.44 1.11 -0.30 0.00 -1.00 0.00 0.00 55.97 56.22 1jbr s LYS 113 Cb -0.13 -1.77 -0.09 0.00 -2.06 0.00 0.00 37.83 33.79 1jbr s LYS 113 CO 0.14 -2.41 1.24 -2.00 0.10 0.00 0.00 175.35 172.43 1jbr s GLU 114 N -4.78 4.45 0.02 1.78 2.12 -1.26 -4.93 118.70 116.10 1jbr s GLU 114 Ca 0.64 1.96 -0.30 0.00 0.36 0.00 0.00 54.97 57.64 1jbr s GLU 114 Cb -0.20 -3.21 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 1jbr s GLU 114 CO 0.58 -0.14 1.98 -3.47 -0.54 0.00 0.00 175.26 173.67 1jbr n ASP 115 N 2.38 4.11 0.05 -1.70 2.03 -1.26 -4.87 116.55 117.29 1jbr n ASP 115 Ca 0.04 0.88 0.10 0.00 0.52 0.00 0.00 54.79 56.33 1jbr n ASP 115 Cb 0.44 -1.52 0.41 0.00 -0.72 0.00 0.00 41.12 39.73 1jbr n ASP 115 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1jbr n PRO 116 N 7.56 0.08 -0.73 -0.67 -0.04 -1.26 -5.04 135.00 134.89 1jbr n PRO 116 Ca 0.21 0.26 0.10 0.00 -0.04 0.00 0.00 63.50 64.02 1jbr n PRO 116 Cb 0.40 -1.63 -0.02 0.00 -0.04 0.00 0.00 33.50 32.21 1jbr n PRO 116 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1jbr n GLY 117 N 0.33 -2.00 0.18 0.55 0.00 -1.26 -4.47 105.19 98.53 1jbr n GLY 117 Ca 0.04 -1.31 0.11 0.00 0.00 0.00 0.00 46.02 44.86 1jbr n GLY 117 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1jbr h PRO 118 N 0.00 0.00 -6.01 1.61 0.13 -1.90 -3.45 132.00 122.38 1jbr h PRO 118 Ca 0.01 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.56 1jbr h PRO 118 Cb 0.67 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.76 1jbr h PRO 118 CO 0.00 0.02 -0.46 0.00 -0.23 0.00 0.00 178.00 177.34 1jbr s ALA 119 N -3.25 3.96 -0.04 -0.56 0.00 -1.26 -0.67 121.76 119.94 1jbr s ALA 119 Ca 0.04 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 51.08 1jbr s ALA 119 Cb 0.07 -1.85 0.02 0.00 0.00 0.00 0.00 23.12 21.35 1jbr s ALA 119 CO 0.71 0.68 0.10 1.03 0.00 0.00 0.00 175.76 178.28 1jbr s ARG 120 N -2.86 0.10 0.06 0.00 1.81 -0.44 -2.12 118.95 115.50 1jbr s ARG 120 Ca 0.36 0.18 -0.21 0.00 -1.72 0.00 0.00 55.73 54.33 1jbr s ARG 120 Cb -0.12 0.00 -0.06 0.00 -0.45 0.00 0.00 34.95 34.32 1jbr s ARG 120 CO 0.28 -0.05 0.63 0.54 -0.68 0.00 0.00 175.30 176.02 1jbr s VAL 121 N 0.29 4.75 -0.21 3.52 0.11 0.85 -1.99 120.40 127.71 1jbr s VAL 121 Ca -0.02 1.34 -0.05 0.00 -2.93 0.00 0.00 61.98 60.32 1jbr s VAL 121 Cb -0.03 -3.97 -0.02 0.00 -1.53 0.00 0.00 36.38 30.84 1jbr s VAL 121 CO -0.01 0.48 -0.02 -0.63 -3.33 0.00 0.00 175.10 171.59 1jbr s ILE 122 N -0.67 3.67 0.23 7.04 -1.09 0.14 -1.99 121.20 128.52 1jbr s ILE 122 Ca 0.32 -0.40 0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1jbr s ILE 122 Cb -0.20 -2.67 -0.05 0.00 -1.58 0.00 0.00 42.46 37.97 1jbr s ILE 122 CO 0.20 0.42 0.08 -0.72 -1.23 0.00 0.00 174.94 173.68 1jbr s TYR 123 N 1.30 1.42 0.14 3.97 1.13 -0.80 -0.54 117.35 123.97 1jbr s TYR 123 Ca 0.04 -1.16 -0.10 0.00 -1.41 0.00 0.00 57.07 54.43 1jbr s TYR 123 Cb -0.14 -0.81 -0.06 0.00 -1.10 0.00 0.00 41.96 39.84 1jbr s TYR 123 CO -0.00 -0.34 0.46 0.95 -2.51 0.00 0.00 175.55 174.11 1jbr s THR 124 N -3.78 5.02 -0.15 -3.49 -4.23 -0.60 -0.57 115.64 107.84 1jbr s THR 124 Ca 0.35 0.47 -0.05 0.00 -1.18 0.00 0.00 61.69 61.27 1jbr s THR 124 Cb 0.07 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 1jbr s THR 124 CO 0.11 0.16 0.02 -0.47 -0.54 0.00 0.00 174.62 173.90 1jbr s TYR 125 N -1.54 3.17 -0.93 3.99 6.14 -0.26 0.14 117.35 128.05 1jbr s TYR 125 Ca 0.38 -0.02 0.20 0.00 0.64 0.00 0.00 57.07 58.28 1jbr s TYR 125 Cb -0.13 -1.98 -0.22 0.00 0.42 0.00 0.00 41.96 40.04 1jbr s TYR 125 CO 0.20 0.16 0.85 -0.35 0.64 0.00 0.00 175.55 177.05 1jbr n PRO 126 N 3.25 0.31 0.00 4.97 -0.04 -1.26 -3.00 135.00 139.23 1jbr n PRO 126 Ca -0.17 -0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.35 1jbr n PRO 126 Cb 0.53 -1.46 0.32 0.00 -0.04 0.00 0.00 33.50 32.85 1jbr n PRO 126 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jbr n ASN 127 N -1.50 0.00 -3.69 3.54 3.02 -1.23 -4.91 115.26 110.48 1jbr n ASN 127 Ca 0.04 0.32 -0.21 0.00 -0.03 0.00 0.00 54.58 54.69 1jbr n ASN 127 Cb 0.32 -0.41 0.04 0.00 -0.61 0.00 0.00 39.78 39.12 1jbr n ASN 127 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1jbr n LYS 128 N -1.41 -5.06 -3.05 3.52 5.02 0.37 -4.94 118.16 112.62 1jbr n LYS 128 Ca 0.05 0.63 -0.40 0.00 -2.02 0.00 0.00 58.31 56.57 1jbr n LYS 128 Cb 0.14 -5.24 -0.05 0.00 -0.02 0.00 0.00 35.03 29.86 1jbr n LYS 128 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1jbr s VAL 129 N -3.63 5.03 0.13 -0.18 1.01 -1.25 -4.63 120.40 116.88 1jbr s VAL 129 Ca 0.03 1.40 -0.31 0.00 0.00 0.00 0.00 61.98 63.10 1jbr s VAL 129 Cb -0.02 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.24 1jbr s VAL 129 CO 0.81 0.20 1.76 0.12 0.00 0.00 0.00 175.10 177.99 1jbr s PHE 130 N 1.15 2.41 -0.20 5.22 5.36 -1.26 -1.56 117.98 129.11 1jbr s PHE 130 Ca 0.36 0.16 -0.04 0.00 -0.96 0.00 0.00 56.93 56.45 1jbr s PHE 130 Cb -0.17 -4.11 -0.11 0.00 -0.34 0.00 0.00 43.02 38.29 1jbr s PHE 130 CO 0.16 -4.46 -0.21 0.00 -1.46 0.00 0.00 175.22 169.24 1jbr n GLY 132 N 2.18 -2.50 3.41 0.00 0.00 -1.08 -4.82 105.19 102.37 1jbr n GLY 132 Ca -0.36 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.06 1jbr n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jbr s ILE 133 N -2.17 3.05 0.33 -0.61 1.01 -1.26 0.24 121.20 121.79 1jbr s ILE 133 Ca 0.00 -0.69 0.04 0.00 0.00 0.00 0.00 60.65 60.00 1jbr s ILE 133 Cb 0.00 -2.25 -0.06 0.00 0.01 0.00 0.00 42.46 40.17 1jbr s ILE 133 CO 0.00 0.55 0.07 0.68 0.00 0.00 0.00 174.94 176.24 1jbr s VAL 134 N -0.03 1.06 -0.06 2.92 -7.23 -0.84 -1.62 120.40 114.60 1jbr s VAL 134 Ca -0.03 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.84 1jbr s VAL 134 Cb -0.14 -2.72 0.07 0.00 0.56 0.00 0.00 36.38 34.15 1jbr s VAL 134 CO 0.04 0.00 0.67 0.00 -0.31 0.00 0.00 175.10 175.50 1jbr s ALA 135 N -3.31 -1.74 0.48 1.32 0.00 -0.51 -1.33 121.76 116.68 1jbr s ALA 135 Ca 0.34 1.34 -0.23 0.00 0.00 0.00 0.00 51.96 53.41 1jbr s ALA 135 Cb 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.05 1jbr s ALA 135 CO 0.15 -0.36 1.24 -1.01 0.00 0.00 0.00 175.76 175.78 1jbr s HIS 136 N -1.08 2.70 0.15 0.00 3.76 0.16 -1.00 115.29 119.97 1jbr s HIS 136 Ca -0.10 1.47 -0.09 0.00 -0.15 0.00 0.00 55.06 56.19 1jbr s HIS 136 Cb -0.01 -3.54 -0.03 0.00 1.11 0.00 0.00 32.58 30.12 1jbr s HIS 136 CO 0.09 -1.98 1.45 0.37 -0.85 0.00 0.00 174.74 173.82 1jbr h GLN 137 N 1.95 0.84 -3.96 1.40 4.15 -1.53 -3.41 115.11 114.54 1jbr h GLN 137 Ca -0.50 -0.50 -0.45 0.00 0.77 0.00 0.00 58.65 57.98 1jbr h GLN 137 Cb 1.26 0.05 -0.36 0.00 0.21 0.00 0.00 27.48 28.64 1jbr h GLN 137 CO 0.60 1.13 -0.78 0.50 -1.93 0.00 0.00 178.83 178.35 1jbr s ARG 138 N -4.19 0.92 4.14 1.69 3.52 -1.26 -0.45 118.95 123.32 1jbr s ARG 138 Ca -0.10 -0.07 0.00 0.00 -0.13 0.00 0.00 55.73 55.43 1jbr s ARG 138 Cb 0.11 -1.06 0.00 0.00 -1.56 0.00 0.00 34.95 32.44 1jbr s ARG 138 CO 0.88 -0.20 0.00 0.41 -0.81 0.00 0.00 175.30 175.58 1jbr n GLY 139 N 4.63 1.09 1.48 8.12 0.00 0.50 -3.30 105.19 117.71 1jbr n GLY 139 Ca -0.15 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 1jbr n GLY 139 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1jbr n ASN 140 N -1.64 3.30 -3.75 1.61 5.03 -1.26 -4.51 115.26 114.04 1jbr n ASN 140 Ca 0.00 -3.78 -0.08 0.00 0.87 0.00 0.00 54.58 51.59 1jbr n ASN 140 Cb 0.00 -0.66 -0.02 0.00 -1.02 0.00 0.00 39.78 38.08 1jbr n ASN 140 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1jbr s GLN 141 N -3.35 1.66 0.00 3.52 0.00 -1.21 -4.89 119.66 115.39 1jbr s GLN 141 Ca 0.48 -0.86 0.00 0.00 -0.00 0.00 0.00 55.36 54.98 1jbr s GLN 141 Cb 0.43 0.60 0.00 0.00 0.00 0.00 0.00 33.01 34.04 1jbr s GLN 141 CO 0.01 -0.75 0.00 0.41 0.00 0.00 0.00 175.29 174.96 1jbr n GLY 142 N -0.44 0.47 3.71 2.60 0.00 -1.26 -4.31 105.19 105.95 1jbr n GLY 142 Ca -0.07 -1.78 -0.41 0.00 0.00 0.00 0.00 46.02 43.76 1jbr n GLY 142 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1jbr s ASP 143 N -4.00 7.10 -0.16 1.61 -4.77 -1.26 -4.92 116.67 110.26 1jbr s ASP 143 Ca 0.00 1.33 -0.20 0.00 -3.30 0.00 0.00 52.55 50.38 1jbr s ASP 143 Cb 0.00 -2.47 -0.03 0.00 -1.09 0.00 0.00 42.92 39.33 1jbr s ASP 143 CO 0.00 -0.20 0.57 -0.76 0.70 0.00 0.00 175.17 175.48 1jbr s LEU 144 N 1.07 4.20 0.12 2.11 1.43 -1.26 -1.52 118.68 124.83 1jbr s LEU 144 Ca 0.42 0.82 0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1jbr s LEU 144 Cb -0.18 -2.81 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1jbr s LEU 144 CO 0.20 -0.16 -0.26 0.00 0.23 0.00 0.00 176.35 176.36 1jbr s ARG 145 N 1.40 1.37 0.24 1.70 1.70 -0.17 -4.86 118.95 120.33 1jbr s ARG 145 Ca 0.28 -1.32 -0.30 0.00 -0.47 0.00 0.00 55.73 53.92 1jbr s ARG 145 Cb -0.16 -1.83 -0.10 0.00 -0.57 0.00 0.00 34.95 32.30 1jbr s ARG 145 CO 0.11 0.43 1.40 -1.17 -1.08 0.00 0.00 175.30 174.99 1jbr s LEU 146 N -2.02 4.40 0.56 -1.89 2.96 -1.26 -1.42 118.68 120.01 1jbr s LEU 146 Ca 0.13 2.61 -0.06 0.00 -0.22 0.00 0.00 54.13 56.58 1jbr s LEU 146 Cb -0.10 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.96 1jbr s LEU 146 CO 0.06 -0.65 0.88 0.00 -1.32 0.00 0.00 176.35 175.32 1jbr s SER 148 N -4.22 5.90 0.00 0.00 1.04 -0.74 -4.88 113.70 110.80 1jbr s SER 148 Ca 0.52 -0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.74 1jbr s SER 148 Cb -0.11 -1.27 0.00 0.00 0.10 0.00 0.00 66.02 64.75 1jbr s SER 148 CO 0.46 -0.37 0.00 0.00 0.98 0.00 0.00 173.24 174.31