#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 2.23 -0.06 0.00 2.01 -1.26 -1.74 115.64 116.82 1jbr s THR 2 Ca 0.00 -0.94 0.02 0.00 0.31 0.00 0.00 61.69 61.08 1jbr s THR 2 Cb 0.00 -1.89 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 1jbr s THR 2 CO 0.00 0.55 -0.09 0.26 -0.69 0.00 0.00 174.62 174.65 1jbr s TRP 3 N 0.57 2.86 -0.13 4.92 0.52 0.27 -4.23 118.94 123.72 1jbr s TRP 3 Ca -0.12 -0.03 -0.01 0.00 0.02 0.00 0.00 56.10 55.96 1jbr s TRP 3 Cb -0.17 -1.68 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1jbr s TRP 3 CO 0.04 0.29 -0.12 0.99 0.02 0.00 0.00 176.95 178.17 1jbr s THR 4 N -0.79 3.18 0.10 2.01 2.01 0.55 -0.51 115.64 122.19 1jbr s THR 4 Ca 0.12 -0.62 0.10 0.00 0.31 0.00 0.00 61.69 61.61 1jbr s THR 4 Cb -0.11 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.02 1jbr s THR 4 CO 0.01 0.52 -0.26 0.00 -0.69 0.00 0.00 174.62 174.20 1jbr s ILE 6 N -1.01 3.04 -0.06 0.00 -1.09 -1.26 -0.44 121.20 120.39 1jbr s ILE 6 Ca 0.12 -0.61 0.03 0.00 -2.23 0.00 0.00 60.65 57.96 1jbr s ILE 6 Cb -0.10 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.43 1jbr s ILE 6 CO 0.05 0.46 -0.14 0.21 -1.23 0.00 0.00 174.94 174.29 1jbr s ASN 7 N 1.33 1.92 -0.10 3.58 3.04 0.59 -4.69 114.94 120.60 1jbr s ASN 7 Ca 0.04 -0.32 -0.25 0.00 0.04 0.00 0.00 52.86 52.37 1jbr s ASN 7 Cb -0.14 -0.83 -0.03 0.00 -1.54 0.00 0.00 41.25 38.71 1jbr s ASN 7 CO -0.05 0.06 0.78 -1.10 -3.04 0.00 0.00 177.10 173.76 1jbr s GLN 8 N 0.54 4.39 -0.05 0.43 -0.21 0.22 -0.79 119.66 124.19 1jbr s GLN 8 Ca -0.13 0.99 0.04 0.00 0.02 0.00 0.00 55.36 56.28 1jbr s GLN 8 Cb -0.15 -3.50 -0.00 0.00 1.00 0.00 0.00 33.01 30.36 1jbr s GLN 8 CO 0.04 -0.11 -0.16 -0.65 -2.12 0.00 0.00 175.29 172.29 1jbr s GLN 9 N 1.37 1.74 0.14 2.91 -0.21 0.16 -0.31 119.66 125.46 1jbr s GLN 9 Ca 0.39 -0.57 -0.31 0.00 0.02 0.00 0.00 55.36 54.90 1jbr s GLN 9 Cb -0.18 -1.50 -0.08 0.00 1.00 0.00 0.00 33.01 32.26 1jbr s GLN 9 CO 0.17 0.21 1.30 -1.17 -2.12 0.00 0.00 175.29 173.68 1jbr s LEU 10 N 0.13 4.40 -0.28 2.90 2.96 -1.26 -0.98 118.68 126.54 1jbr s LEU 10 Ca -0.05 2.28 -0.16 0.00 -0.22 0.00 0.00 54.13 55.98 1jbr s LEU 10 Cb -0.12 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.95 1jbr s LEU 10 CO 0.02 -0.54 0.44 0.21 -1.32 0.00 0.00 176.35 175.16 1jbr s ASN 11 N 0.70 6.31 0.33 3.68 3.84 -0.67 -4.93 114.94 124.20 1jbr s ASN 11 Ca 0.59 0.27 0.25 0.00 0.21 0.00 0.00 52.86 54.19 1jbr s ASN 11 Cb -0.35 -2.24 1.14 0.00 -0.55 0.00 0.00 41.25 39.26 1jbr s ASN 11 CO 0.34 -0.27 1.77 1.55 -2.79 0.00 0.00 177.10 177.69 1jbr h PRO 12 N 8.19 0.00 0.00 0.43 0.13 -1.95 0.20 132.00 139.01 1jbr h PRO 12 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1jbr h PRO 12 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jbr h PRO 12 CO 0.69 0.00 -0.24 0.87 -0.23 0.00 0.00 178.00 179.09 1jbr h LYS 13 N 0.00 0.00 0.00 0.86 1.57 -1.96 -3.39 116.57 113.65 1jbr h LYS 13 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1jbr h LYS 13 Cb 0.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1jbr h LYS 13 CO 0.00 0.00 -0.18 1.79 -0.57 0.00 0.00 179.45 180.49 1jbr h THR 14 N -0.64 0.36 -1.51 -0.16 1.35 -2.00 -3.46 112.91 106.84 1jbr h THR 14 Ca 0.00 -1.22 -0.35 0.00 -0.55 0.00 0.00 66.41 64.29 1jbr h THR 14 Cb 0.24 1.93 -0.09 0.00 -1.73 0.00 0.00 68.15 68.50 1jbr h THR 14 CO 0.00 0.18 -0.37 -3.20 -0.25 0.00 0.00 175.52 171.87 1jbr n ASN 15 N -3.21 -5.10 -4.74 5.36 5.15 0.71 -5.01 115.26 108.42 1jbr n ASN 15 Ca 0.02 0.25 -0.32 0.00 -0.60 0.00 0.00 54.58 53.93 1jbr n ASN 15 Cb 0.50 -4.15 -0.07 0.00 -0.53 0.00 0.00 39.78 35.53 1jbr n ASN 15 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1jbr s LYS 16 N -4.05 2.86 -0.30 1.20 1.02 -1.24 -4.81 119.74 114.43 1jbr s LYS 16 Ca 0.00 -0.64 -0.29 0.00 0.02 0.00 0.00 55.97 55.06 1jbr s LYS 16 Cb 0.00 -2.72 0.01 0.00 -0.52 0.00 0.00 37.83 34.60 1jbr s LYS 16 CO 0.00 0.60 1.09 -1.58 -0.92 0.00 0.00 175.35 174.54 1jbr s TRP 17 N -1.25 3.14 0.11 3.18 0.52 -1.26 -1.66 118.94 121.71 1jbr s TRP 17 Ca 0.25 1.22 0.05 0.00 0.02 0.00 0.00 56.10 57.64 1jbr s TRP 17 Cb -0.12 -3.62 -0.04 0.00 -1.15 0.00 0.00 33.47 28.54 1jbr s TRP 17 CO 0.17 -0.81 0.01 -1.21 0.02 0.00 0.00 176.95 175.12 1jbr s GLU 18 N 3.60 2.55 0.18 4.98 2.02 -0.15 -4.84 118.70 127.04 1jbr s GLU 18 Ca 0.46 -0.88 -0.30 0.00 0.02 0.00 0.00 54.97 54.28 1jbr s GLU 18 Cb -0.13 -2.52 -0.08 0.00 0.10 0.00 0.00 34.13 31.50 1jbr s GLU 18 CO 0.14 0.52 1.12 -0.51 0.02 0.00 0.00 175.26 176.55 1jbr s ASP 19 N -2.45 7.23 -0.07 -0.19 -0.00 -1.26 -0.66 116.67 119.26 1jbr s ASP 19 Ca 0.26 2.13 0.02 0.00 -0.00 0.00 0.00 52.55 54.96 1jbr s ASP 19 Cb -0.11 -2.61 0.01 0.00 -0.00 0.00 0.00 42.92 40.22 1jbr s ASP 19 CO 0.19 -0.25 -0.12 -0.54 -0.00 0.00 0.00 175.17 174.45 1jbr s LYS 20 N -0.40 1.71 -0.06 8.23 -0.14 0.03 -4.91 119.74 124.20 1jbr s LYS 20 Ca 0.50 -0.40 -0.13 0.00 -1.36 0.00 0.00 55.97 54.58 1jbr s LYS 20 Cb -0.30 -1.45 -0.05 0.00 -1.68 0.00 0.00 37.83 34.35 1jbr s LYS 20 CO 0.36 -0.01 0.32 1.03 -0.76 0.00 0.00 175.35 176.28 1jbr s ARG 21 N 0.80 3.87 -0.04 1.68 0.52 -1.26 -0.30 118.95 124.21 1jbr s ARG 21 Ca -0.12 0.21 -0.00 0.00 -0.52 0.00 0.00 55.73 55.30 1jbr s ARG 21 Cb -0.15 -3.26 0.03 0.00 0.52 0.00 0.00 34.95 32.09 1jbr s ARG 21 CO 0.02 0.62 0.01 -0.51 0.02 0.00 0.00 175.30 175.46 1jbr s LEU 22 N -0.73 0.84 -0.15 2.53 1.43 0.42 -4.97 118.68 118.05 1jbr s LEU 22 Ca 0.20 -0.03 -0.08 0.00 -1.03 0.00 0.00 54.13 53.20 1jbr s LEU 22 Cb -0.15 -0.28 -0.04 0.00 0.03 0.00 0.00 46.19 45.75 1jbr s LEU 22 CO 0.09 -0.15 0.12 -0.76 0.23 0.00 0.00 176.35 175.88 1jbr s LEU 23 N 1.47 4.21 -0.00 1.79 1.43 -1.26 -0.34 118.68 125.98 1jbr s LEU 23 Ca -0.03 0.33 0.03 0.00 -1.03 0.00 0.00 54.13 53.43 1jbr s LEU 23 Cb -0.13 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 44.04 1jbr s LEU 23 CO -0.03 0.31 -0.09 -0.31 0.23 0.00 0.00 176.35 176.47 1jbr s TYR 24 N -0.45 0.81 0.03 0.29 1.51 0.33 -4.30 117.35 115.56 1jbr s TYR 24 Ca 0.12 -0.18 -0.26 0.00 -1.01 0.00 0.00 57.07 55.73 1jbr s TYR 24 Cb -0.12 -0.52 -0.05 0.00 -0.11 0.00 0.00 41.96 41.17 1jbr s TYR 24 CO 0.02 -0.01 0.83 0.45 -1.11 0.00 0.00 175.55 175.72 1jbr s SER 25 N -0.33 7.25 0.16 2.29 0.15 -1.26 -0.57 113.70 121.39 1jbr s SER 25 Ca 0.03 1.50 -0.10 0.00 0.70 0.00 0.00 55.95 58.07 1jbr s SER 25 Cb -0.04 -2.50 0.01 0.00 -1.71 0.00 0.00 66.02 61.78 1jbr s SER 25 CO -0.00 -0.07 1.56 -0.61 1.20 0.00 0.00 173.24 175.32 1jbr h GLN 26 N 6.05 1.00 -0.23 5.44 4.15 -1.73 -2.19 115.11 127.60 1jbr h GLN 26 Ca -0.43 -0.40 0.04 0.00 0.77 0.00 0.00 58.65 58.63 1jbr h GLN 26 Cb 1.21 -0.04 -0.04 0.00 0.21 0.00 0.00 27.48 28.82 1jbr h GLN 26 CO 0.73 1.08 -0.00 0.00 -1.93 0.00 0.00 178.83 178.71 1jbr h ALA 27 N 0.88 0.20 -0.81 3.38 0.00 -1.93 0.81 119.26 121.80 1jbr h ALA 27 Ca 0.12 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1jbr h ALA 27 Cb 0.74 0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1jbr h ALA 27 CO 0.06 -0.42 0.53 0.87 0.00 0.00 0.00 179.25 180.29 1jbr h LYS 28 N 0.07 1.05 -0.81 0.00 1.57 -1.92 0.09 116.57 116.63 1jbr h LYS 28 Ca 0.11 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1jbr h LYS 28 Cb 0.14 -0.24 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 1jbr h LYS 28 CO -0.19 0.70 0.39 0.00 -0.57 0.00 0.00 179.45 179.78 1jbr h ALA 29 N 1.30 1.16 -0.37 3.86 0.00 -0.69 0.24 119.26 124.76 1jbr h ALA 29 Ca 0.30 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.91 1jbr h ALA 29 Cb -0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.35 1jbr h ALA 29 CO -0.07 0.64 -0.35 0.93 0.00 0.00 0.00 179.25 180.40 1jbr h GLU 30 N 1.15 0.90 -1.01 0.00 5.08 -0.37 -2.30 114.58 118.03 1jbr h GLU 30 Ca 0.28 -0.46 0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1jbr h GLU 30 Cb 0.11 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 1jbr h GLU 30 CO -0.04 1.11 0.67 1.03 -1.00 0.00 0.00 179.01 180.78 1jbr h SER 31 N 0.71 1.14 -0.55 1.42 0.87 -0.42 0.57 113.55 117.29 1jbr h SER 31 Ca 0.06 -0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.63 1jbr h SER 31 Cb 0.94 -0.28 -0.04 0.00 -0.44 0.00 0.00 62.40 62.58 1jbr h SER 31 CO 0.09 0.82 0.32 0.78 -0.53 0.00 0.00 176.83 178.30 1jbr h ASN 32 N 1.34 0.49 0.61 6.23 -0.26 -0.19 -1.25 115.58 122.55 1jbr h ASN 32 Ca 0.38 0.01 -0.12 0.00 -0.56 0.00 0.00 56.30 56.01 1jbr h ASN 32 Cb -0.12 -0.09 -0.02 0.00 -1.06 0.00 0.00 38.32 37.04 1jbr h ASN 32 CO -0.09 0.34 -0.56 0.77 -1.06 0.00 0.00 177.43 176.83 1jbr h SER 33 N 0.62 0.00 -0.23 5.81 4.64 -0.66 -2.11 113.55 121.62 1jbr h SER 33 Ca 0.23 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.51 1jbr h SER 33 Cb 0.07 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.15 1jbr h SER 33 CO -0.12 0.56 -0.03 0.45 -0.87 0.00 0.00 176.83 176.82 1jbr h HIS 34 N 0.00 0.46 0.00 4.77 3.86 -0.33 -3.11 115.15 120.80 1jbr h HIS 34 Ca -0.01 -0.09 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1jbr h HIS 34 Cb 1.02 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.37 1jbr h HIS 34 CO 0.00 0.62 -0.05 0.45 0.86 0.00 0.00 177.93 179.81 1jbr h HIS 35 N 0.17 0.00 -4.00 2.45 3.86 -1.18 -3.44 115.15 113.00 1jbr h HIS 35 Ca 0.06 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.78 1jbr h HIS 35 Cb 0.46 0.00 0.04 0.00 1.06 0.00 0.00 27.41 28.97 1jbr h HIS 35 CO 0.04 0.05 0.44 0.00 0.86 0.00 0.00 177.93 179.32 1jbr s ALA 36 N -3.52 2.99 0.83 2.45 0.00 -0.80 -5.00 121.76 118.71 1jbr s ALA 36 Ca 0.03 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1jbr s ALA 36 Cb 0.08 -3.32 0.09 0.00 0.00 0.00 0.00 23.12 19.97 1jbr s ALA 36 CO 0.60 -0.44 1.09 -1.25 0.00 0.00 0.00 175.76 175.76 1jbr s PRO 37 N -2.70 1.76 -1.08 0.00 0.04 -1.26 -4.95 135.00 126.80 1jbr s PRO 37 Ca 0.62 1.02 -0.03 0.00 0.04 0.00 0.00 61.00 62.65 1jbr s PRO 37 Cb -0.24 -1.85 0.29 0.00 0.04 0.00 0.00 34.50 32.74 1jbr s PRO 37 CO 0.30 -1.95 1.78 -0.11 0.04 0.00 0.00 177.00 177.06 1jbr n LEU 38 N -3.71 7.12 -4.25 -3.56 7.94 -1.26 -4.75 117.00 114.53 1jbr n LEU 38 Ca 0.08 -5.26 -0.14 0.00 -1.11 0.00 0.00 56.01 49.58 1jbr n LEU 38 Cb 0.54 -1.23 -0.10 0.00 0.53 0.00 0.00 43.42 43.16 1jbr n LEU 38 CO 0.54 1.91 -0.39 -0.94 -1.11 0.00 0.00 177.39 177.41 1jbr s SER 39 N -1.22 1.68 -0.74 1.96 1.04 -1.26 -5.11 113.70 110.05 1jbr s SER 39 Ca 0.38 -1.06 -0.13 0.00 0.48 0.00 0.00 55.95 55.62 1jbr s SER 39 Cb 0.14 0.01 0.19 0.00 0.10 0.00 0.00 66.02 66.47 1jbr s SER 39 CO -0.05 -0.39 0.66 -0.62 0.98 0.00 0.00 173.24 173.82 1jbr s ASP 40 N -3.18 6.43 -1.21 7.02 2.15 -1.26 -4.51 116.67 122.12 1jbr s ASP 40 Ca 0.19 -2.52 -0.00 0.00 0.43 0.00 0.00 52.55 50.64 1jbr s ASP 40 Cb 0.04 -2.16 0.00 0.00 -0.30 0.00 0.00 42.92 40.50 1jbr s ASP 40 CO 0.02 -0.60 0.99 0.61 -0.17 0.00 0.00 175.17 176.02 1jbr n GLY 41 N 4.17 -0.36 0.13 2.66 0.00 0.52 -4.86 105.19 107.45 1jbr n GLY 41 Ca 0.07 0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.27 1jbr n GLY 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jbr n LYS 42 N -4.17 1.23 -2.99 1.61 4.76 -1.26 -4.82 118.16 112.52 1jbr n LYS 42 Ca -0.28 -2.17 -0.17 0.00 -2.87 0.00 0.00 58.31 52.82 1jbr n LYS 42 Cb 0.67 -1.27 0.01 0.00 -1.84 0.00 0.00 35.03 32.60 1jbr n LYS 42 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1jbr s THR 43 N -2.16 2.95 0.44 -0.18 -4.23 -1.26 -4.98 115.64 106.22 1jbr s THR 43 Ca 0.23 -0.98 0.15 0.00 -1.18 0.00 0.00 61.69 59.90 1jbr s THR 43 Cb 0.20 -2.96 0.18 0.00 1.34 0.00 0.00 72.50 71.26 1jbr s THR 43 CO 0.02 0.00 1.99 1.23 -0.54 0.00 0.00 174.62 177.32 1jbr h GLY 44 N 0.59 0.00 1.39 3.99 0.00 -1.76 -2.53 103.07 104.76 1jbr h GLY 44 Ca -0.40 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1jbr h GLY 44 CO 0.45 0.00 -0.72 1.48 0.00 0.00 0.00 176.54 177.75 1jbr h SER 45 N 0.00 0.00 0.00 0.19 4.64 -0.57 -3.42 113.55 114.39 1jbr h SER 45 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1jbr h SER 45 Cb 0.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.43 1jbr h SER 45 CO 0.02 0.14 0.00 -1.54 -0.87 0.00 0.00 176.83 174.58 1jbr n SER 46 N -2.89 0.00 -4.59 4.97 3.41 -0.95 -5.04 113.62 108.52 1jbr n SER 46 Ca -0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 58.87 58.27 1jbr n SER 46 Cb 0.61 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.45 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 -3.04 3.02 0.70 7.33 2.02 -1.26 -3.86 117.35 122.26 1jbr s TYR 47 Ca 0.00 0.00 -0.08 0.00 -0.37 0.00 0.00 57.07 56.62 1jbr s TYR 47 Cb 0.00 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.82 1jbr s TYR 47 CO 0.00 0.29 1.03 -1.25 -1.57 0.00 0.00 175.55 174.05 1jbr s PRO 48 N -0.57 2.35 0.37 -1.71 0.04 -1.26 -4.65 135.00 129.57 1jbr s PRO 48 Ca 0.09 -0.09 -0.09 0.00 0.04 0.00 0.00 61.00 60.95 1jbr s PRO 48 Cb -0.12 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1jbr s PRO 48 CO 0.02 -1.18 0.65 -3.38 0.04 0.00 0.00 177.00 173.15 1jbr s HIS 49 N -3.26 0.57 0.02 0.56 -3.43 -1.16 0.19 115.29 108.78 1jbr s HIS 49 Ca 0.59 -1.04 -0.30 0.00 -0.80 0.00 0.00 55.06 53.51 1jbr s HIS 49 Cb -0.11 0.42 -0.07 0.00 -1.43 0.00 0.00 32.58 31.40 1jbr s HIS 49 CO 0.46 -1.39 1.57 -0.46 -2.00 0.00 0.00 174.74 172.92 1jbr s TRP 50 N -2.60 2.48 -0.63 0.38 -0.00 -1.26 -1.00 118.94 116.31 1jbr s TRP 50 Ca 0.22 0.46 -0.11 0.00 -0.00 0.00 0.00 56.10 56.67 1jbr s TRP 50 Cb -0.03 -3.85 0.16 0.00 -0.00 0.00 0.00 33.47 29.75 1jbr s TRP 50 CO 0.16 -3.38 0.54 0.12 -0.00 0.00 0.00 176.95 174.39 1jbr s PHE 51 N 2.84 3.50 0.36 5.86 5.36 -0.04 -4.86 117.98 130.99 1jbr s PHE 51 Ca 0.70 -1.91 0.10 0.00 -0.96 0.00 0.00 56.93 54.87 1jbr s PHE 51 Cb -0.36 -3.63 0.85 0.00 -0.34 0.00 0.00 43.02 39.54 1jbr s PHE 51 CO 0.30 -0.98 1.86 1.79 -1.46 0.00 0.00 175.22 176.73 1jbr h THR 52 N 5.50 0.81 -2.38 0.12 1.35 -1.87 -3.39 112.91 113.04 1jbr h THR 52 Ca -0.10 -0.23 -0.37 0.00 -0.55 0.00 0.00 66.41 65.17 1jbr h THR 52 Cb 1.05 0.09 -0.04 0.00 -1.73 0.00 0.00 68.15 67.53 1jbr h THR 52 CO 0.85 0.12 -0.46 -3.20 -0.25 0.00 0.00 175.52 172.58 1jbr n ASN 53 N -4.57 -5.35 0.00 5.36 5.15 -1.26 -2.11 115.26 112.48 1jbr n ASN 53 Ca 0.18 0.05 0.00 0.00 -0.60 0.00 0.00 54.58 54.21 1jbr n ASN 53 Cb 0.50 -4.42 0.00 0.00 -0.53 0.00 0.00 39.78 35.34 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 -0.97 0.75 3.80 8.20 0.00 -1.26 -3.89 105.19 111.82 1jbr n GLY 54 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.47 2.57 0.54 1.61 2.02 -0.90 -2.05 117.35 118.67 1jbr s TYR 55 Ca 0.00 -0.57 0.07 0.00 -0.37 0.00 0.00 57.07 56.19 1jbr s TYR 55 Cb 0.00 -2.04 0.04 0.00 -0.40 0.00 0.00 41.96 39.57 1jbr s TYR 55 CO 0.00 0.02 0.49 0.16 -1.57 0.00 0.00 175.55 174.65 1jbr s ASP 56 N -4.02 4.78 0.65 2.29 1.47 -1.14 -4.81 116.67 115.89 1jbr s ASP 56 Ca 0.43 -1.10 0.36 0.00 1.18 0.00 0.00 52.55 53.41 1jbr s ASP 56 Cb 0.01 0.29 1.96 0.00 -0.34 0.00 0.00 42.92 44.84 1jbr s ASP 56 CO 0.24 -1.11 2.15 1.23 0.68 0.00 0.00 175.17 178.36 1jbr h GLY 57 N 0.65 0.00 -1.96 2.12 0.00 -1.87 -2.41 103.07 99.60 1jbr h GLY 57 Ca -0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1jbr h GLY 57 CO 0.53 0.00 0.00 0.70 0.00 0.00 0.00 176.54 177.77 1jbr n ASN 58 N -3.22 2.86 -0.51 0.19 3.02 -1.26 -2.22 115.26 114.11 1jbr n ASN 58 Ca -0.01 -2.03 -0.06 0.00 -0.03 0.00 0.00 54.58 52.44 1jbr n ASN 58 Cb 0.24 -0.36 -0.02 0.00 -0.61 0.00 0.00 39.78 39.03 1jbr n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jbr n GLY 59 N 1.28 0.69 3.48 7.41 0.00 -0.08 -4.94 105.19 113.04 1jbr n GLY 59 Ca 0.17 -0.75 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 1jbr n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jbr s LYS 60 N -2.90 3.03 0.92 1.61 2.47 -1.26 -4.76 119.74 118.86 1jbr s LYS 60 Ca 0.00 -0.62 -0.15 0.00 -1.56 0.00 0.00 55.97 53.65 1jbr s LYS 60 Cb 0.00 -2.61 -0.04 0.00 -1.46 0.00 0.00 37.83 33.72 1jbr s LYS 60 CO 0.00 0.46 0.03 -0.11 0.16 0.00 0.00 175.35 175.88 1jbr n LEU 61 N 2.83 -2.01 0.00 5.43 7.94 -1.26 -2.89 117.00 127.04 1jbr n LEU 61 Ca -0.18 0.33 0.11 0.00 -1.11 0.00 0.00 56.01 55.16 1jbr n LEU 61 Cb 0.53 -1.06 0.01 0.00 0.53 0.00 0.00 43.42 43.43 1jbr n LEU 61 CO 0.29 -4.36 0.08 0.00 -1.11 0.00 0.00 177.39 172.28 1jbr n ILE 62 N -3.04 0.02 -1.71 1.96 0.13 -0.87 -4.76 119.36 111.10 1jbr n ILE 62 Ca 0.04 -0.05 -0.01 0.00 -1.10 0.00 0.00 62.75 61.63 1jbr n ILE 62 Cb 0.54 0.63 -0.01 0.00 -0.84 0.00 0.00 39.64 39.96 1jbr n ILE 62 CO 0.00 0.00 0.00 0.29 2.80 0.00 0.00 176.55 179.64 1jbr n LYS 63 N -1.59 -1.93 0.00 9.51 5.02 -1.26 -4.76 118.16 123.14 1jbr n LYS 63 Ca 0.04 1.73 0.00 0.00 -2.02 0.00 0.00 58.31 58.06 1jbr n LYS 63 Cb 0.36 -2.36 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 1jbr n LYS 63 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jbr n GLY 64 N 0.69 1.69 3.54 0.72 0.00 -1.26 -5.08 105.19 105.50 1jbr n GLY 64 Ca -0.08 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.49 2.10 -0.25 1.61 0.52 -1.26 -5.11 118.95 116.07 1jbr s ARG 65 Ca 0.00 -1.01 0.01 0.00 -0.52 0.00 0.00 55.73 54.20 1jbr s ARG 65 Cb 0.00 -2.27 0.04 0.00 0.52 0.00 0.00 34.95 33.24 1jbr s ARG 65 CO 0.00 0.52 -0.09 0.99 0.02 0.00 0.00 175.30 176.74 1jbr s THR 66 N -1.12 2.50 0.59 0.02 2.01 -1.26 -4.79 115.64 113.58 1jbr s THR 66 Ca 0.19 -1.32 -0.19 0.00 0.31 0.00 0.00 61.69 60.68 1jbr s THR 66 Cb -0.11 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 70.02 1jbr s THR 66 CO 0.11 0.10 1.26 -2.84 -0.69 0.00 0.00 174.62 172.56 1jbr s PRO 67 N 1.22 2.95 0.27 4.92 0.02 -1.25 -4.87 135.00 138.25 1jbr s PRO 67 Ca -0.04 1.98 -0.29 0.00 0.02 0.00 0.00 61.00 62.67 1jbr s PRO 67 Cb -0.18 -2.01 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 1jbr s PRO 67 CO -0.05 -1.27 1.04 0.42 -0.33 0.00 0.00 177.00 176.81 1jbr s ILE 68 N -1.47 3.72 -0.32 2.83 1.01 -1.26 -5.01 121.20 120.70 1jbr s ILE 68 Ca 0.77 1.71 -0.14 0.00 0.00 0.00 0.00 60.65 62.99 1jbr s ILE 68 Cb -0.34 -4.08 -0.02 0.00 0.01 0.00 0.00 42.46 38.02 1jbr s ILE 68 CO 0.38 0.39 0.29 -0.75 0.00 0.00 0.00 174.94 175.25 1jbr s LYS 69 N -1.40 3.67 0.08 2.79 2.47 -1.26 -4.92 119.74 121.16 1jbr s LYS 69 Ca 0.44 -0.42 0.24 0.00 -1.56 0.00 0.00 55.97 54.67 1jbr s LYS 69 Cb -0.29 -3.76 0.25 0.00 -1.46 0.00 0.00 37.83 32.56 1jbr s LYS 69 CO 0.37 -0.41 1.21 1.19 0.16 0.00 0.00 175.35 177.88 1jbr n PHE 70 N 5.23 0.37 -0.90 4.03 3.72 -1.26 -4.95 117.46 123.69 1jbr n PHE 70 Ca -0.11 0.11 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jbr n PHE 70 Cb 0.50 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.53 1jbr n PHE 70 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1jbr n GLY 71 N 1.37 0.54 3.13 1.37 0.00 -1.26 -4.97 105.19 105.37 1jbr n GLY 71 Ca 0.03 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1jbr n GLY 71 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jbr s LYS 72 N -0.19 1.04 0.07 1.61 2.20 -1.26 -5.07 119.74 118.15 1jbr s LYS 72 Ca 0.00 -0.63 -0.34 0.00 -0.36 0.00 0.00 55.97 54.64 1jbr s LYS 72 Cb 0.00 -1.03 -0.17 0.00 -1.51 0.00 0.00 37.83 35.12 1jbr s LYS 72 CO 0.00 0.27 1.52 0.00 -0.36 0.00 0.00 175.35 176.78 1jbr h ALA 73 N 5.36 -1.20 -0.84 3.13 0.00 -1.97 0.74 119.26 124.48 1jbr h ALA 73 Ca -0.36 -0.21 0.15 0.00 0.00 0.00 0.00 54.91 54.49 1jbr h ALA 73 Cb 1.17 0.63 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 1jbr h ALA 73 CO 0.46 -1.19 0.55 -0.44 0.00 0.00 0.00 179.25 178.63 1jbr h ASP 74 N -1.05 0.52 0.00 0.00 5.19 -1.98 -0.94 116.42 118.16 1jbr h ASP 74 Ca -0.08 0.03 -0.19 0.00 -0.62 0.00 0.00 57.03 56.17 1jbr h ASP 74 Cb 0.87 -0.07 0.02 0.00 0.18 0.00 0.00 39.33 40.32 1jbr h ASP 74 CO 0.03 0.26 -0.74 0.00 -3.12 0.00 0.00 179.24 175.67 1jbr n ASP 76 N -4.11 0.68 -4.65 0.00 8.00 0.24 -4.84 116.55 111.86 1jbr n ASP 76 Ca -0.11 -0.96 -0.43 0.00 0.71 0.00 0.00 54.79 54.01 1jbr n ASP 76 Cb 0.74 -0.02 -0.02 0.00 -0.02 0.00 0.00 41.12 41.79 1jbr n ASP 76 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1jbr s ARG 77 N -2.22 4.13 0.17 -1.24 6.06 -0.39 -4.94 118.95 120.51 1jbr s ARG 77 Ca 0.36 1.87 -0.32 0.00 -2.50 0.00 0.00 55.73 55.15 1jbr s ARG 77 Cb 0.21 -3.91 -0.16 0.00 0.06 0.00 0.00 34.95 31.14 1jbr s ARG 77 CO 0.41 -0.88 0.95 -2.30 -2.50 0.00 0.00 175.30 170.98 1jbr n PRO 78 N 7.03 0.69 -1.62 5.12 -0.02 -1.26 -4.90 135.00 140.04 1jbr n PRO 78 Ca 0.16 0.25 -0.33 0.00 -2.02 0.00 0.00 63.50 61.55 1jbr n PRO 78 Cb 0.44 -1.59 0.07 0.00 -0.02 0.00 0.00 33.50 32.40 1jbr n PRO 78 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1jbr s PRO 79 N -0.67 2.53 -0.36 0.52 0.04 -1.26 -4.77 135.00 131.02 1jbr s PRO 79 Ca 0.71 1.52 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1jbr s PRO 79 Cb -0.91 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 31.84 1jbr s PRO 79 CO 0.55 -1.48 0.18 0.21 0.04 0.00 0.00 177.00 176.50 1jbr s LYS 80 N -4.04 0.85 -0.12 4.56 2.47 0.15 -0.90 119.74 122.70 1jbr s LYS 80 Ca 0.69 -1.43 0.00 0.00 -1.56 0.00 0.00 55.97 53.68 1jbr s LYS 80 Cb -0.23 -1.90 0.02 0.00 -1.46 0.00 0.00 37.83 34.25 1jbr s LYS 80 CO 0.43 -1.10 -0.11 -1.58 0.16 0.00 0.00 175.35 173.14 1jbr s HIS 81 N 1.07 1.79 0.81 4.03 5.65 -0.94 0.03 115.29 127.73 1jbr s HIS 81 Ca 0.14 -0.91 -0.10 0.00 0.25 0.00 0.00 55.06 54.44 1jbr s HIS 81 Cb -0.21 -1.37 0.18 0.00 -1.18 0.00 0.00 32.58 30.00 1jbr s HIS 81 CO -0.11 -0.54 1.11 0.43 -0.65 0.00 0.00 174.74 174.98 1jbr n SER 82 N 4.67 0.47 -0.47 9.88 7.64 -1.26 -4.49 113.62 130.05 1jbr n SER 82 Ca -0.16 -1.63 0.39 0.00 1.01 0.00 0.00 58.87 58.48 1jbr n SER 82 Cb 0.50 -0.81 0.67 0.00 -1.01 0.00 0.00 64.21 63.57 1jbr n SER 82 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1jbr h GLN 83 N 0.00 0.04 0.00 1.43 5.75 -2.01 -1.15 115.11 119.17 1jbr h GLN 83 Ca -0.36 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.11 1jbr h GLN 83 Cb 1.08 -0.01 -0.06 0.00 1.07 0.00 0.00 27.48 29.56 1jbr h GLN 83 CO 0.29 0.03 -0.49 0.27 -2.65 0.00 0.00 178.83 176.28 1jbr n ASN 84 N -4.67 0.70 -3.53 -0.69 6.94 -1.26 -5.00 115.26 107.74 1jbr n ASN 84 Ca 0.39 -2.31 -0.26 0.00 -0.02 0.00 0.00 54.58 52.38 1jbr n ASN 84 Cb 1.53 -0.28 0.02 0.00 -2.36 0.00 0.00 39.78 38.69 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 -0.25 -0.50 0.08 4.83 0.00 -0.44 -4.64 105.19 104.27 1jbr n GLY 85 Ca 0.05 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.24 1jbr n GLY 85 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jbr n MET 86 N -4.25 1.51 -1.58 1.61 2.81 -1.26 -4.70 117.12 111.25 1jbr n MET 86 Ca -0.01 -1.44 -0.39 0.00 -1.81 0.00 0.00 57.70 54.04 1jbr n MET 86 Cb 0.55 -0.93 0.03 0.00 -0.71 0.00 0.00 33.22 32.16 1jbr n MET 86 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1jbr n GLY 87 N -0.53 -0.50 0.28 3.03 0.00 -1.26 -4.85 105.19 101.36 1jbr n GLY 87 Ca 0.04 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.22 1jbr n GLY 87 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1jbr h LYS 88 N 0.92 0.00 -0.09 1.61 1.57 -2.00 -2.67 116.57 115.92 1jbr h LYS 88 Ca -0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.32 1jbr h LYS 88 Cb 1.36 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.67 1jbr h LYS 88 CO 0.53 0.02 0.00 -3.47 -0.57 0.00 0.00 179.45 175.96 1jbr n ASP 89 N -3.13 2.25 -4.77 0.86 2.03 -1.26 -5.05 116.55 107.48 1jbr n ASP 89 Ca 0.00 -2.01 -0.39 0.00 0.52 0.00 0.00 54.79 52.91 1jbr n ASP 89 Cb 0.29 -0.06 -0.00 0.00 -0.72 0.00 0.00 41.12 40.62 1jbr n ASP 89 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 1jbr s ASP 90 N -1.01 6.21 -0.16 1.67 1.11 -1.01 -4.96 116.67 118.53 1jbr s ASP 90 Ca 0.06 2.62 -0.08 0.00 0.18 0.00 0.00 52.55 55.33 1jbr s ASP 90 Cb 0.03 -2.63 0.06 0.00 1.07 0.00 0.00 42.92 41.45 1jbr s ASP 90 CO 0.04 -0.91 0.39 -1.38 1.18 0.00 0.00 175.17 174.48 1jbr s HIS 91 N -1.30 -0.59 0.01 4.23 -3.43 0.10 -4.59 115.29 109.72 1jbr s HIS 91 Ca 0.59 1.25 -0.00 0.00 -0.80 0.00 0.00 55.06 56.09 1jbr s HIS 91 Cb -0.37 0.23 0.00 0.00 -1.43 0.00 0.00 32.58 31.01 1jbr s HIS 91 CO 0.47 -0.35 0.02 2.48 -2.00 0.00 0.00 174.74 175.36 1jbr n TYR 92 N 4.48 -0.76 -4.23 0.38 0.18 -1.17 0.33 117.16 116.37 1jbr n TYR 92 Ca -0.21 -0.04 -0.33 0.00 1.88 0.00 0.00 57.90 59.21 1jbr n TYR 92 Cb 0.54 0.02 -0.08 0.00 -0.38 0.00 0.00 39.34 39.43 1jbr n TYR 92 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1jbr s LEU 93 N 0.00 3.64 0.13 -3.48 1.43 -1.26 -0.88 118.68 118.26 1jbr s LEU 93 Ca 0.01 0.06 0.09 0.00 -1.03 0.00 0.00 54.13 53.26 1jbr s LEU 93 Cb -0.00 -2.07 -0.04 0.00 0.03 0.00 0.00 46.19 44.11 1jbr s LEU 93 CO 0.00 0.29 -0.19 -0.76 0.23 0.00 0.00 176.35 175.93 1jbr s LEU 94 N -1.53 2.66 0.02 1.79 1.43 0.89 -0.86 118.68 123.08 1jbr s LEU 94 Ca 0.20 -0.61 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 1jbr s LEU 94 Cb -0.12 -1.48 -0.02 0.00 0.03 0.00 0.00 46.19 44.60 1jbr s LEU 94 CO 0.10 0.16 -0.20 -1.83 0.23 0.00 0.00 176.35 174.82 1jbr s GLU 95 N -2.26 1.42 -0.08 1.70 -1.05 -0.17 -1.84 118.70 116.40 1jbr s GLU 95 Ca 0.19 -0.83 -0.10 0.00 -0.15 0.00 0.00 54.97 54.07 1jbr s GLU 95 Cb -0.10 -1.46 0.02 0.00 -0.44 0.00 0.00 34.13 32.15 1jbr s GLU 95 CO 0.10 0.38 0.27 0.12 0.95 0.00 0.00 175.26 177.09 1jbr s PHE 96 N -0.67 -0.26 0.37 4.83 5.36 -0.76 -2.99 117.98 123.86 1jbr s PHE 96 Ca 0.07 0.62 -0.28 0.00 -0.96 0.00 0.00 56.93 56.38 1jbr s PHE 96 Cb -0.08 0.09 -0.11 0.00 -0.34 0.00 0.00 43.02 42.58 1jbr s PHE 96 CO 0.01 -0.19 1.46 -2.14 -1.46 0.00 0.00 175.22 172.90 1jbr s PRO 97 N -0.15 4.15 0.01 10.12 0.02 -1.26 0.51 135.00 148.40 1jbr s PRO 97 Ca -0.03 2.51 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1jbr s PRO 97 Cb -0.03 -2.99 -0.01 0.00 0.02 0.00 0.00 34.50 31.49 1jbr s PRO 97 CO 0.01 -0.48 -0.02 -0.08 -0.33 0.00 0.00 177.00 176.10 1jbr s THR 98 N -1.11 0.12 0.28 0.99 -1.32 -0.94 -4.63 115.64 109.03 1jbr s THR 98 Ca 0.52 -0.51 0.04 0.00 -1.21 0.00 0.00 61.69 60.53 1jbr s THR 98 Cb -0.45 -0.19 -0.06 0.00 -1.51 0.00 0.00 72.50 70.29 1jbr s THR 98 CO 0.61 -0.25 0.02 -0.36 -2.21 0.00 0.00 174.62 172.43 1jbr s PHE 99 N -0.78 1.79 0.27 9.09 0.08 -1.26 -4.34 117.98 122.83 1jbr s PHE 99 Ca -0.08 -0.91 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 1jbr s PHE 99 Cb -0.05 -1.09 0.35 0.00 -0.57 0.00 0.00 43.02 41.66 1jbr s PHE 99 CO -0.00 0.02 1.88 -1.35 -0.10 0.00 0.00 175.22 175.67 1jbr h PRO 100 N 2.29 1.06 0.00 0.24 0.11 -1.98 -1.36 132.00 132.36 1jbr h PRO 100 Ca -0.40 -0.13 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1jbr h PRO 100 Cb 1.23 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1jbr h PRO 100 CO 0.67 0.80 0.00 -0.40 -0.21 0.00 0.00 178.00 178.86 1jbr n ASP 101 N -4.34 0.12 0.00 -2.05 5.68 -1.26 -4.68 116.55 110.02 1jbr n ASP 101 Ca 0.07 0.52 0.00 0.00 -0.50 0.00 0.00 54.79 54.89 1jbr n ASP 101 Cb 0.12 -0.55 0.00 0.00 -1.14 0.00 0.00 41.12 39.55 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 0.42 0.29 3.74 6.12 0.00 -0.51 -5.01 105.19 110.23 1jbr n GLY 102 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1jbr n GLY 102 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1jbr s HIS 103 N -1.58 2.30 -0.05 1.61 -3.43 -1.26 -4.87 115.29 108.00 1jbr s HIS 103 Ca 0.00 1.60 -0.30 0.00 -0.80 0.00 0.00 55.06 55.56 1jbr s HIS 103 Cb 0.00 -3.26 -0.03 0.00 -1.43 0.00 0.00 32.58 27.86 1jbr s HIS 103 CO 0.00 -2.15 1.05 -0.51 -2.00 0.00 0.00 174.74 171.13 1jbr s ASP 104 N -2.59 7.23 0.28 7.38 1.01 -1.26 -4.66 116.67 124.06 1jbr s ASP 104 Ca 0.68 1.67 -0.29 0.00 0.71 0.00 0.00 52.55 55.31 1jbr s ASP 104 Cb -0.23 -2.56 -0.10 0.00 1.01 0.00 0.00 42.92 41.04 1jbr s ASP 104 CO 0.48 -0.42 1.37 -0.47 0.21 0.00 0.00 175.17 176.34 1jbr s TYR 105 N 1.66 3.05 -1.20 4.23 5.04 -1.26 -4.90 117.35 123.97 1jbr s TYR 105 Ca 0.52 1.21 -0.20 0.00 -2.44 0.00 0.00 57.07 56.15 1jbr s TYR 105 Cb -0.21 -3.74 0.03 0.00 0.35 0.00 0.00 41.96 38.39 1jbr s TYR 105 CO 0.23 -2.26 1.72 0.15 -1.34 0.00 0.00 175.55 174.05 1jbr s LYS 106 N -0.94 3.56 0.63 4.97 1.02 -1.26 -4.81 119.74 122.90 1jbr s LYS 106 Ca 0.55 -1.56 0.32 0.00 0.02 0.00 0.00 55.97 55.29 1jbr s LYS 106 Cb -0.40 -5.42 1.74 0.00 -0.52 0.00 0.00 37.83 33.22 1jbr s LYS 106 CO 0.47 -2.62 2.04 0.27 -0.92 0.00 0.00 175.35 174.59 1jbr h PHE 107 N 8.65 0.00 -0.08 3.18 -5.15 -1.90 0.35 116.94 121.98 1jbr h PHE 107 Ca 0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 58.10 1jbr h PHE 107 Cb 0.92 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.09 1jbr h PHE 107 CO 1.35 0.00 0.00 -0.25 -2.00 0.00 0.00 178.31 177.41 1jbr n ASP 108 N -3.34 2.21 -4.75 -0.68 8.00 -1.26 -0.93 116.55 115.80 1jbr n ASP 108 Ca 0.01 -1.74 -0.36 0.00 0.71 0.00 0.00 54.79 53.40 1jbr n ASP 108 Cb 0.36 -0.04 0.04 0.00 -0.02 0.00 0.00 41.12 41.46 1jbr n ASP 108 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1jbr s SER 109 N -1.88 5.08 -0.14 -2.24 1.04 0.11 -4.42 113.70 111.25 1jbr s SER 109 Ca 0.34 2.45 -0.30 0.00 0.48 0.00 0.00 55.95 58.92 1jbr s SER 109 Cb 0.20 -2.60 0.12 0.00 0.10 0.00 0.00 66.02 63.84 1jbr s SER 109 CO 0.31 -1.67 0.97 -1.59 0.98 0.00 0.00 173.24 172.24 1jbr s LYS 110 N -3.32 0.63 -0.91 4.02 -2.85 -1.26 -2.23 119.74 113.82 1jbr s LYS 110 Ca 0.78 0.09 -0.14 0.00 -1.00 0.00 0.00 55.97 55.70 1jbr s LYS 110 Cb -0.32 0.30 0.02 0.00 -2.06 0.00 0.00 37.83 35.77 1jbr s LYS 110 CO 0.35 -0.21 0.58 1.63 0.10 0.00 0.00 175.35 177.80 1jbr n LYS 111 N 0.60 -0.92 -3.88 1.78 5.02 -1.26 -4.17 118.16 115.33 1jbr n LYS 111 Ca -0.10 0.39 -0.33 0.00 -2.02 0.00 0.00 58.31 56.25 1jbr n LYS 111 Cb 0.58 -2.08 -0.05 0.00 -0.02 0.00 0.00 35.03 33.47 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 -5.84 3.46 0.72 1.97 0.04 -1.26 -5.15 135.00 128.94 1jbr s PRO 112 Ca 0.20 -0.32 -0.12 0.00 0.04 0.00 0.00 61.00 60.80 1jbr s PRO 112 Cb -0.11 -3.06 0.02 0.00 0.04 0.00 0.00 34.50 31.39 1jbr s PRO 112 CO 0.86 0.64 1.08 -1.59 0.04 0.00 0.00 177.00 178.03 1jbr s LYS 113 N -2.13 2.66 0.60 4.56 -2.85 -1.26 -4.95 119.74 116.37 1jbr s LYS 113 Ca 0.30 1.12 -0.19 0.00 -1.00 0.00 0.00 55.97 56.20 1jbr s LYS 113 Cb -0.13 -1.95 -0.03 0.00 -2.06 0.00 0.00 37.83 33.66 1jbr s LYS 113 CO 0.22 -1.33 1.26 -2.00 0.10 0.00 0.00 175.35 173.60 1jbr s GLU 114 N -4.78 2.86 0.06 1.78 2.12 -1.26 -4.84 118.70 114.64 1jbr s GLU 114 Ca 0.61 1.98 -0.30 0.00 0.36 0.00 0.00 54.97 57.61 1jbr s GLU 114 Cb -0.16 -1.96 -0.09 0.00 0.26 0.00 0.00 34.13 32.18 1jbr s GLU 114 CO 0.52 -1.34 1.81 0.34 -0.54 0.00 0.00 175.26 176.06 1jbr s ASP 115 N -1.41 6.50 0.00 -1.70 -1.08 -1.26 -4.87 116.67 112.85 1jbr s ASP 115 Ca 0.78 2.61 0.29 0.00 -0.52 0.00 0.00 52.55 55.71 1jbr s ASP 115 Cb -0.35 -2.55 1.26 0.00 -1.46 0.00 0.00 42.92 39.83 1jbr s ASP 115 CO 0.38 -0.98 1.93 -0.81 0.52 0.00 0.00 175.17 176.21 1jbr n PRO 116 N 6.39 0.07 -0.28 4.34 -0.04 -1.26 -5.04 135.00 139.18 1jbr n PRO 116 Ca 0.18 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.69 1jbr n PRO 116 Cb 0.40 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.35 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 1.41 -1.41 0.10 0.55 0.00 -1.26 -4.45 105.19 100.12 1jbr n GLY 117 Ca 0.08 -1.14 -0.02 0.00 0.00 0.00 0.00 46.02 44.94 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 -6.32 1.61 0.13 -1.90 -3.45 132.00 122.07 1jbr h PRO 118 Ca 0.01 0.00 -0.56 0.00 -0.87 0.00 0.00 66.00 64.58 1jbr h PRO 118 Cb 0.25 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.35 1jbr h PRO 118 CO 0.00 0.52 -0.17 0.00 -0.23 0.00 0.00 178.00 178.12 1jbr s ALA 119 N -2.83 3.64 0.01 -0.56 0.00 -1.26 -1.84 121.76 118.91 1jbr s ALA 119 Ca -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 51.96 51.62 1jbr s ALA 119 Cb 0.09 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 1jbr s ALA 119 CO 0.80 0.55 -0.04 1.03 0.00 0.00 0.00 175.76 178.10 1jbr s ARG 120 N -2.58 0.30 -0.16 0.00 1.81 -0.35 -2.22 118.95 115.75 1jbr s ARG 120 Ca 0.43 -0.28 -0.14 0.00 -1.72 0.00 0.00 55.73 54.02 1jbr s ARG 120 Cb -0.12 -0.20 -0.05 0.00 -0.45 0.00 0.00 34.95 34.13 1jbr s ARG 120 CO 0.21 0.05 0.32 0.54 -0.68 0.00 0.00 175.30 175.74 1jbr s VAL 121 N -0.47 5.29 -0.15 3.52 0.11 0.18 -1.86 120.40 127.02 1jbr s VAL 121 Ca -0.03 0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 59.57 1jbr s VAL 121 Cb -0.04 -3.65 -0.03 0.00 -1.53 0.00 0.00 36.38 31.13 1jbr s VAL 121 CO -0.00 0.37 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.50 1jbr s ILE 122 N 0.60 4.17 0.22 7.04 -1.09 0.23 -1.82 121.20 130.55 1jbr s ILE 122 Ca 0.17 -0.27 -0.14 0.00 -2.23 0.00 0.00 60.65 58.19 1jbr s ILE 122 Cb -0.13 -2.83 0.01 0.00 -1.58 0.00 0.00 42.46 37.93 1jbr s ILE 122 CO 0.05 0.51 0.48 -0.72 -1.23 0.00 0.00 174.94 174.02 1jbr s TYR 123 N 0.10 0.19 0.42 3.97 1.13 -0.77 -1.24 117.35 121.15 1jbr s TYR 123 Ca 0.01 -0.55 -0.13 0.00 -1.41 0.00 0.00 57.07 54.99 1jbr s TYR 123 Cb -0.13 0.25 -0.07 0.00 -1.10 0.00 0.00 41.96 40.90 1jbr s TYR 123 CO 0.02 -0.95 0.82 0.95 -2.51 0.00 0.00 175.55 173.88 1jbr s THR 124 N -3.96 4.71 -0.12 -3.49 -4.23 -0.72 -0.08 115.64 107.75 1jbr s THR 124 Ca 0.17 0.82 -0.00 0.00 -1.18 0.00 0.00 61.69 61.50 1jbr s THR 124 Cb -0.01 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 1jbr s THR 124 CO 0.04 -0.50 -0.11 -0.47 -0.54 0.00 0.00 174.62 173.04 1jbr s TYR 125 N -2.36 2.85 -1.67 3.99 6.14 -0.06 -0.50 117.35 125.73 1jbr s TYR 125 Ca 0.54 -0.44 0.18 0.00 0.64 0.00 0.00 57.07 57.98 1jbr s TYR 125 Cb -0.10 -1.82 0.47 0.00 0.42 0.00 0.00 41.96 40.92 1jbr s TYR 125 CO 0.29 -0.07 1.38 -0.35 0.64 0.00 0.00 175.55 177.44 1jbr n PRO 126 N 3.22 2.63 -0.57 4.97 -0.04 -1.26 -3.02 135.00 140.93 1jbr n PRO 126 Ca -0.18 -2.32 0.10 0.00 -0.04 0.00 0.00 63.50 61.06 1jbr n PRO 126 Cb 0.53 -1.44 0.36 0.00 -0.04 0.00 0.00 33.50 32.90 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 1.19 4.62 -4.35 3.54 3.02 -1.24 -4.98 115.26 117.06 1jbr n ASN 127 Ca 0.18 -2.34 -0.36 0.00 -0.03 0.00 0.00 54.58 52.04 1jbr n ASN 127 Cb 0.54 -0.56 -0.07 0.00 -0.61 0.00 0.00 39.78 39.07 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 1.29 -1.43 -2.36 3.52 5.02 0.34 -4.88 118.16 119.65 1jbr n LYS 128 Ca 0.26 0.18 -0.42 0.00 -2.02 0.00 0.00 58.31 56.32 1jbr n LYS 128 Cb 0.83 -4.34 -0.03 0.00 -0.02 0.00 0.00 35.03 31.48 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 -3.75 3.71 0.07 -0.18 1.01 -1.26 -4.68 120.40 115.32 1jbr s VAL 129 Ca 0.43 1.32 -0.31 0.00 0.00 0.00 0.00 61.98 63.42 1jbr s VAL 129 Cb -0.25 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 1jbr s VAL 129 CO 0.99 0.15 1.38 0.12 0.00 0.00 0.00 175.10 177.74 1jbr s PHE 130 N 0.55 3.11 -0.17 5.22 5.36 -1.26 -1.75 117.98 129.03 1jbr s PHE 130 Ca 0.57 0.93 0.03 0.00 -0.96 0.00 0.00 56.93 57.50 1jbr s PHE 130 Cb -0.32 -3.65 -0.12 0.00 -0.34 0.00 0.00 43.02 38.59 1jbr s PHE 130 CO 0.33 -2.31 -0.13 0.00 -1.46 0.00 0.00 175.22 171.65 1jbr n GLY 132 N 2.61 -2.04 3.08 0.00 0.00 -1.08 -4.84 105.19 102.92 1jbr n GLY 132 Ca -0.30 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 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 -2.48 1.57 0.46 -0.61 1.01 -1.26 -0.60 121.20 119.29 1jbr s ILE 133 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 60.65 60.00 1jbr s ILE 133 Cb 0.00 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.01 1jbr s ILE 133 CO 0.00 0.45 0.08 0.68 0.00 0.00 0.00 174.94 176.15 1jbr s VAL 134 N 0.89 1.70 -0.23 2.92 -7.23 -0.78 -1.46 120.40 116.21 1jbr s VAL 134 Ca -0.08 -1.90 -0.26 0.00 -1.81 0.00 0.00 61.98 57.93 1jbr s VAL 134 Cb -0.15 -2.60 0.09 0.00 0.56 0.00 0.00 36.38 34.28 1jbr s VAL 134 CO -0.00 0.00 0.84 0.00 -0.31 0.00 0.00 175.10 175.63 1jbr s ALA 135 N -2.76 -1.85 0.36 1.32 0.00 0.12 -1.21 121.76 117.74 1jbr s ALA 135 Ca 0.25 1.84 -0.28 0.00 0.00 0.00 0.00 51.96 53.77 1jbr s ALA 135 Cb 0.05 -1.06 -0.11 0.00 0.00 0.00 0.00 23.12 22.00 1jbr s ALA 135 CO 0.13 -0.31 1.49 -1.01 0.00 0.00 0.00 175.76 176.06 1jbr s HIS 136 N -0.02 2.64 0.19 0.00 3.76 -0.77 -0.62 115.29 120.47 1jbr s HIS 136 Ca -0.01 1.13 -0.11 0.00 -0.15 0.00 0.00 55.06 55.92 1jbr s HIS 136 Cb -0.04 -4.01 0.11 0.00 1.11 0.00 0.00 32.58 29.75 1jbr s HIS 136 CO 0.00 -3.00 1.80 0.37 -0.85 0.00 0.00 174.74 173.06 1jbr h GLN 137 N 3.28 0.91 -3.84 1.40 4.15 -1.13 -3.42 115.11 116.46 1jbr h GLN 137 Ca -0.50 -0.11 -0.36 0.00 0.77 0.00 0.00 58.65 58.46 1jbr h GLN 137 Cb 1.24 -0.18 -0.33 0.00 0.21 0.00 0.00 27.48 28.41 1jbr h GLN 137 CO 0.66 0.69 -0.75 0.50 -1.93 0.00 0.00 178.83 178.00 1jbr s ARG 138 N -5.85 0.44 2.85 1.69 3.52 -1.26 -0.61 118.95 119.73 1jbr s ARG 138 Ca -0.13 0.01 0.00 0.00 -0.13 0.00 0.00 55.73 55.48 1jbr s ARG 138 Cb 0.14 -0.55 0.00 0.00 -1.56 0.00 0.00 34.95 32.97 1jbr s ARG 138 CO 0.78 -0.10 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 1jbr n GLY 139 N 3.99 0.33 1.73 8.12 0.00 0.57 -3.44 105.19 116.49 1jbr n GLY 139 Ca -0.25 -0.93 0.08 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.16 5.39 -3.37 1.61 5.03 -1.26 -4.65 115.26 115.85 1jbr n ASN 140 Ca 0.00 -2.88 -0.20 0.00 0.87 0.00 0.00 54.58 52.37 1jbr n ASN 140 Cb 0.00 -0.65 -0.08 0.00 -1.02 0.00 0.00 39.78 38.03 1jbr n ASN 140 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1jbr s GLN 141 N -2.66 1.80 2.32 3.52 -0.21 -1.22 -4.91 119.66 118.30 1jbr s GLN 141 Ca 0.53 -2.05 0.00 0.00 0.02 0.00 0.00 55.36 53.86 1jbr s GLN 141 Cb 0.40 0.26 0.00 0.00 1.00 0.00 0.00 33.01 34.67 1jbr s GLN 141 CO 0.16 -0.65 0.00 0.41 -2.12 0.00 0.00 175.29 173.09 1jbr n GLY 142 N -0.66 -0.97 3.68 3.09 0.00 -1.26 -4.30 105.19 104.76 1jbr n GLY 142 Ca 0.07 -1.27 -0.45 0.00 0.00 0.00 0.00 46.02 44.37 1jbr n GLY 142 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1jbr n ASP 143 N 0.46 3.17 -4.56 1.61 2.03 -1.26 -4.83 116.55 113.16 1jbr n ASP 143 Ca 0.00 1.10 -0.38 0.00 0.52 0.00 0.00 54.79 56.03 1jbr n ASP 143 Cb 0.00 -1.46 -0.11 0.00 -0.72 0.00 0.00 41.12 38.83 1jbr n ASP 143 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1jbr s LEU 144 N 0.65 3.97 0.09 -2.67 1.43 -1.26 -0.69 118.68 120.21 1jbr s LEU 144 Ca 0.75 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.81 1jbr s LEU 144 Cb -0.64 -2.09 -0.04 0.00 0.03 0.00 0.00 46.19 43.45 1jbr s LEU 144 CO 0.41 -0.06 0.07 -0.13 0.23 0.00 0.00 176.35 176.86 1jbr s ARG 145 N 1.73 2.80 0.17 1.70 0.52 0.21 -4.81 118.95 121.28 1jbr s ARG 145 Ca 0.07 -0.75 -0.30 0.00 -0.52 0.00 0.00 55.73 54.23 1jbr s ARG 145 Cb -0.16 -2.67 -0.08 0.00 0.52 0.00 0.00 34.95 32.56 1jbr s ARG 145 CO 0.10 0.55 1.14 -1.17 0.02 0.00 0.00 175.30 175.94 1jbr s LEU 146 N -2.47 4.46 0.79 2.53 2.96 -1.26 -0.71 118.68 124.99 1jbr s LEU 146 Ca 0.29 2.13 -0.06 0.00 -0.22 0.00 0.00 54.13 56.27 1jbr s LEU 146 Cb -0.12 -3.60 0.14 0.00 0.50 0.00 0.00 46.19 43.11 1jbr s LEU 146 CO 0.21 -0.30 1.10 0.00 -1.32 0.00 0.00 176.35 176.04 1jbr s SER 148 N -4.76 6.08 0.00 0.00 0.01 0.19 -4.88 113.70 110.34 1jbr s SER 148 Ca 0.68 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.08 1jbr s SER 148 Cb -0.05 -1.62 0.00 0.00 0.21 0.00 0.00 66.02 64.55 1jbr s SER 148 CO 0.47 -0.40 0.00 0.00 0.41 0.00 0.00 173.24 173.72