#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jrb n LEU 2 N 0.00 3.22 -4.45 3.17 4.77 -1.26 -3.71 117.00 118.74 1jrb n LEU 2 Ca 0.00 -1.82 -0.53 0.00 -0.03 0.00 0.00 56.01 53.63 1jrb n LEU 2 Cb 0.00 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.75 1jrb n LEU 2 CO 0.00 0.77 0.27 -0.46 -1.33 0.00 0.00 177.39 176.64 1jrb n ASN 3 N 1.02 -0.66 -3.87 -1.43 6.94 -1.06 -3.97 115.26 112.23 1jrb n ASN 3 Ca 0.16 1.14 -0.12 0.00 -0.02 0.00 0.00 54.58 55.75 1jrb n ASN 3 Cb 0.50 -0.94 -0.14 0.00 -2.36 0.00 0.00 39.78 36.84 1jrb n ASN 3 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1jrb s THR 4 N -0.53 0.00 -0.15 5.53 2.01 -0.68 -4.75 115.64 117.08 1jrb s THR 4 Ca 0.77 -0.02 -0.03 0.00 0.31 0.00 0.00 61.69 62.71 1jrb s THR 4 Cb -1.09 -0.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.37 1jrb s THR 4 CO 0.56 -0.01 -0.04 -0.89 -0.69 0.00 0.00 174.62 173.55 1jrb s THR 5 N -0.04 3.91 -0.19 -0.82 2.01 -1.26 -0.61 115.64 118.64 1jrb s THR 5 Ca -0.00 -0.36 -0.13 0.00 0.31 0.00 0.00 61.69 61.51 1jrb s THR 5 Cb -0.00 -2.70 0.06 0.00 0.01 0.00 0.00 72.50 69.87 1jrb s THR 5 CO -0.00 0.51 0.48 0.12 -0.69 0.00 0.00 174.62 175.03 1jrb s PHE 6 N 0.21 -0.65 -1.45 4.92 5.36 0.25 -4.89 117.98 121.74 1jrb s PHE 6 Ca -0.02 1.42 -0.09 0.00 -0.96 0.00 0.00 56.93 57.28 1jrb s PHE 6 Cb -0.14 0.30 0.03 0.00 -0.34 0.00 0.00 43.02 42.87 1jrb s PHE 6 CO 0.03 -0.34 0.96 0.00 -1.46 0.00 0.00 175.22 174.40 1jrb n ALA 7 N 3.81 -1.20 -1.77 11.12 0.00 -1.26 -0.80 120.51 130.41 1jrb n ALA 7 Ca -0.20 0.32 -0.21 0.00 0.00 0.00 0.00 53.44 53.35 1jrb n ALA 7 Cb 0.56 -4.75 -0.07 0.00 0.00 0.00 0.00 19.45 15.19 1jrb n ALA 7 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jrb n ASN 8 N -2.81 -5.59 -4.41 0.00 3.02 -1.26 -4.97 115.26 99.24 1jrb n ASN 8 Ca -0.02 0.40 -0.22 0.00 -0.03 0.00 0.00 54.58 54.72 1jrb n ASN 8 Cb 0.57 -4.86 -0.10 0.00 -0.61 0.00 0.00 39.78 34.78 1jrb n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jrb s ALA 9 N -2.83 2.40 -0.16 5.41 0.00 0.02 -5.13 121.76 121.47 1jrb s ALA 9 Ca 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 51.96 50.15 1jrb s ALA 9 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1jrb s ALA 9 CO 0.00 0.20 0.02 0.15 0.00 0.00 0.00 175.76 176.13 1jrb s LYS 10 N -3.48 3.70 0.14 0.00 1.02 -1.26 -0.58 119.74 119.28 1jrb s LYS 10 Ca 0.26 -0.40 0.10 0.00 0.02 0.00 0.00 55.97 55.94 1jrb s LYS 10 Cb -0.03 -3.05 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1jrb s LYS 10 CO 0.11 0.35 -0.20 -0.06 -0.92 0.00 0.00 175.35 174.63 1jrb s PHE 11 N 0.11 2.46 0.26 3.18 0.08 0.22 -4.23 117.98 120.06 1jrb s PHE 11 Ca 0.03 -0.30 0.02 0.00 0.12 0.00 0.00 56.93 56.80 1jrb s PHE 11 Cb -0.13 -1.29 0.34 0.00 -0.57 0.00 0.00 43.02 41.38 1jrb s PHE 11 CO 0.01 0.40 1.67 0.00 -0.10 0.00 0.00 175.22 177.20 1jrb h ALA 12 N 3.62 1.01 -2.96 5.36 0.00 -1.83 -1.81 119.26 122.64 1jrb h ALA 12 Ca -0.49 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.02 1jrb h ALA 12 Cb 1.18 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.76 1jrb h ALA 12 CO 0.45 0.60 0.17 0.54 0.00 0.00 0.00 179.25 181.01 1jrb s ASN 13 N -6.84 -0.40 0.00 0.00 2.20 -1.25 -2.55 114.94 106.09 1jrb s ASN 13 Ca -0.06 -0.30 0.29 0.00 -0.94 0.00 0.00 52.86 51.85 1jrb s ASN 13 Cb 0.13 0.63 1.34 0.00 -2.00 0.00 0.00 41.25 41.35 1jrb s ASN 13 CO 0.80 -1.10 1.92 -0.81 -2.94 0.00 0.00 177.10 174.97 1jrb n PRO 14 N -0.39 0.94 -2.83 3.55 -0.04 -1.26 -4.16 135.00 130.81 1jrb n PRO 14 Ca -0.12 -0.32 -0.39 0.00 -0.04 0.00 0.00 63.50 62.63 1jrb n PRO 14 Cb 0.63 -1.49 -0.06 0.00 -0.04 0.00 0.00 33.50 32.53 1jrb n PRO 14 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jrb s PHE 15 N -2.28 3.91 0.14 0.54 0.08 -1.26 -0.90 117.98 118.22 1jrb s PHE 15 Ca 0.35 1.80 -0.04 0.00 0.12 0.00 0.00 56.93 59.15 1jrb s PHE 15 Cb 0.21 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.73 1jrb s PHE 15 CO 0.42 0.43 0.15 -1.64 -0.10 0.00 0.00 175.22 174.49 1jrb s MET 16 N -1.33 1.02 0.67 0.44 -1.94 0.03 -0.42 119.30 117.77 1jrb s MET 16 Ca 0.41 -1.32 -0.13 0.00 -1.71 0.00 0.00 55.69 52.94 1jrb s MET 16 Cb -0.24 0.30 0.00 0.00 2.01 0.00 0.00 34.83 36.90 1jrb s MET 16 CO 0.29 -0.33 1.07 0.54 -0.01 0.00 0.00 175.02 176.58 1jrb s ASN 17 N -3.01 5.30 0.23 3.03 4.22 -1.26 -1.36 114.94 122.11 1jrb s ASN 17 Ca 0.21 1.77 -0.18 0.00 -2.14 0.00 0.00 52.86 52.51 1jrb s ASN 17 Cb 0.06 -2.52 -0.08 0.00 1.28 0.00 0.00 41.25 39.99 1jrb s ASN 17 CO 0.01 -1.49 0.71 0.00 -2.04 0.00 0.00 177.10 174.28 1jrb s ALA 18 N -2.74 3.41 0.28 3.54 0.00 -0.40 -4.43 121.76 121.42 1jrb s ALA 18 Ca 0.62 0.11 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 1jrb s ALA 18 Cb -0.16 -2.78 -0.13 0.00 0.00 0.00 0.00 23.12 20.05 1jrb s ALA 18 CO 0.48 0.34 1.26 0.45 0.00 0.00 0.00 175.76 178.29 1jrb n SER 19 N 0.52 2.34 0.00 0.00 2.88 -1.26 -2.18 113.62 115.92 1jrb n SER 19 Ca -0.01 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.70 1jrb n SER 19 Cb 0.51 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.57 1jrb n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jrb n GLY 20 N 1.47 2.74 3.45 0.46 0.00 -1.26 -4.93 105.19 107.12 1jrb n GLY 20 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 1jrb n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jrb s VAL 21 N -2.56 3.87 -1.36 1.61 1.01 -0.93 -4.66 120.40 117.39 1jrb s VAL 21 Ca 0.00 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1jrb s VAL 21 Cb 0.00 -2.73 0.02 0.00 0.00 0.00 0.00 36.38 33.66 1jrb s VAL 21 CO 0.00 0.45 0.74 1.57 0.00 0.00 0.00 175.10 177.85 1jrb n HIS 22 N 4.07 -1.97 -2.01 5.22 -0.00 -1.26 -4.64 115.22 114.63 1jrb n HIS 22 Ca -0.17 0.85 -0.02 0.00 -0.00 0.00 0.00 57.72 58.37 1jrb n HIS 22 Cb 0.52 -4.27 -0.02 0.00 -0.00 0.00 0.00 29.99 26.21 1jrb n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jrb h MET 24 N 0.01 0.19 -6.21 0.00 4.05 -1.90 -1.24 114.93 109.83 1jrb h MET 24 Ca -0.20 -0.33 -0.49 0.00 -0.28 0.00 0.00 59.70 58.41 1jrb h MET 24 Cb 1.16 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 32.05 1jrb h MET 24 CO -0.10 1.16 -0.46 0.95 0.23 0.00 0.00 176.91 178.69 1jrb s THR 25 N -2.40 3.94 0.27 -0.77 -4.23 -1.26 -4.56 115.64 106.63 1jrb s THR 25 Ca -0.18 -1.32 -0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1jrb s THR 25 Cb 0.02 -3.31 0.26 0.00 1.34 0.00 0.00 72.50 70.81 1jrb s THR 25 CO 0.76 -0.23 1.82 0.40 -0.54 0.00 0.00 174.62 176.82 1jrb h ILE 26 N 1.27 0.88 -0.20 2.99 2.04 -1.98 -0.20 117.51 122.32 1jrb h ILE 26 Ca -0.46 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.11 1jrb h ILE 26 Cb 1.25 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1jrb h ILE 26 CO 0.59 0.16 0.08 -0.08 0.00 0.00 0.00 178.15 178.90 1jrb h GLU 27 N 0.89 0.18 0.02 2.37 4.81 -1.99 0.21 114.58 121.07 1jrb h GLU 27 Ca 0.47 -0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.72 1jrb h GLU 27 Cb 0.50 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.80 1jrb h GLU 27 CO -0.28 0.12 -0.18 -0.44 -0.73 0.00 0.00 179.01 177.50 1jrb h ASP 28 N 0.18 -0.53 -0.80 1.04 3.32 -1.64 -1.38 116.42 116.61 1jrb h ASP 28 Ca 0.08 0.07 0.07 0.00 0.02 0.00 0.00 57.03 57.27 1jrb h ASP 28 Cb 0.04 0.22 -0.05 0.00 0.22 0.00 0.00 39.33 39.75 1jrb h ASP 28 CO -0.07 -0.25 0.53 -0.07 -1.72 0.00 0.00 179.24 177.65 1jrb h LEU 29 N -0.31 0.76 -0.61 1.55 3.38 -0.72 -1.58 115.31 117.77 1jrb h LEU 29 Ca 0.05 0.01 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 1jrb h LEU 29 Cb 0.37 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jrb h LEU 29 CO -0.16 0.48 -0.32 -0.33 0.09 0.00 0.00 178.44 178.20 1jrb h GLU 30 N 0.85 0.74 -0.48 1.13 4.39 -0.86 0.54 114.58 120.90 1jrb h GLU 30 Ca 0.35 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1jrb h GLU 30 Cb 0.27 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 1jrb h GLU 30 CO -0.13 0.96 0.27 0.93 -1.16 0.00 0.00 179.01 179.89 1jrb h GLU 31 N 0.63 0.64 -0.15 2.33 5.08 -0.32 -1.05 114.58 121.73 1jrb h GLU 31 Ca 0.07 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.16 1jrb h GLU 31 Cb 0.85 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.97 1jrb h GLU 31 CO 0.07 0.47 -0.76 -0.07 -1.00 0.00 0.00 179.01 177.72 1jrb h LEU 32 N 0.66 0.87 -0.58 1.33 3.38 -0.80 -1.75 115.31 118.42 1jrb h LEU 32 Ca 0.17 -0.56 0.03 0.00 0.09 0.00 0.00 57.88 57.61 1jrb h LEU 32 Cb -0.00 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1jrb h LEU 32 CO -0.03 1.35 0.35 0.50 0.09 0.00 0.00 178.44 180.70 1jrb h LYS 33 N 0.51 0.67 0.00 1.13 3.64 -0.59 -2.17 116.57 119.75 1jrb h LYS 33 Ca -0.04 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1jrb h LYS 33 Cb 1.37 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 33.04 1jrb h LYS 33 CO 0.15 0.44 -0.05 0.00 -2.27 0.00 0.00 179.45 177.73 1jrb h ALA 34 N 1.26 1.07 -3.62 5.00 0.00 -1.05 -3.46 119.26 118.46 1jrb h ALA 34 Ca 0.24 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.77 1jrb h ALA 34 Cb 0.04 -0.01 0.14 0.00 0.00 0.00 0.00 17.79 17.96 1jrb h ALA 34 CO -0.11 0.06 0.29 -1.13 0.00 0.00 0.00 179.25 178.36 1jrb n SER 35 N -3.24 -0.24 -0.34 0.00 3.41 -0.67 -4.96 113.62 107.59 1jrb n SER 35 Ca -0.01 -1.32 0.08 0.00 -0.26 0.00 0.00 58.87 57.36 1jrb n SER 35 Cb 0.24 -0.80 0.35 0.00 -0.26 0.00 0.00 64.21 63.74 1jrb n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jrb n GLN 36 N -3.36 1.44 -1.57 4.33 1.13 -1.26 -4.91 117.38 113.18 1jrb n GLN 36 Ca 0.13 -0.67 -0.45 0.00 -1.94 0.00 0.00 57.00 54.07 1jrb n GLN 36 Cb 0.45 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.49 1jrb n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jrb n ALA 37 N -0.08 -0.58 0.20 -1.58 0.00 -1.26 -4.85 120.51 112.37 1jrb n ALA 37 Ca 0.13 0.41 0.06 0.00 0.00 0.00 0.00 53.44 54.03 1jrb n ALA 37 Cb 0.21 -1.98 0.41 0.00 0.00 0.00 0.00 19.45 18.09 1jrb n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jrb h GLY 38 N 2.08 0.00 -2.80 0.00 0.00 -0.90 -3.47 103.07 97.98 1jrb h GLY 38 Ca -0.39 0.00 0.18 0.00 0.00 0.00 0.00 47.33 47.12 1jrb h GLY 38 CO 0.62 0.00 0.55 0.00 0.00 0.00 0.00 176.54 177.71 1jrb s ALA 39 N -3.90 -1.81 0.11 3.60 0.00 -1.01 -4.55 121.76 114.20 1jrb s ALA 39 Ca -0.01 0.57 -0.11 0.00 0.00 0.00 0.00 51.96 52.40 1jrb s ALA 39 Cb 0.12 0.49 0.01 0.00 0.00 0.00 0.00 23.12 23.74 1jrb s ALA 39 CO 0.68 -0.91 0.26 1.52 0.00 0.00 0.00 175.76 177.32 1jrb s TYR 40 N -3.06 0.06 0.01 0.00 1.13 -1.26 -4.00 117.35 110.23 1jrb s TYR 40 Ca 0.10 -0.45 0.03 0.00 -1.41 0.00 0.00 57.07 55.34 1jrb s TYR 40 Cb -0.00 0.04 -0.01 0.00 -1.10 0.00 0.00 41.96 40.88 1jrb s TYR 40 CO -0.02 -0.61 -0.09 -1.50 -2.51 0.00 0.00 175.55 170.82 1jrb s ILE 41 N -3.85 0.72 0.73 -3.49 2.07 -1.26 -1.85 121.20 114.27 1jrb s ILE 41 Ca 0.05 -0.59 -0.11 0.00 -1.41 0.00 0.00 60.65 58.59 1jrb s ILE 41 Cb 0.04 -0.64 0.03 0.00 0.13 0.00 0.00 42.46 42.02 1jrb s ILE 41 CO -0.10 0.06 1.07 0.42 -1.91 0.00 0.00 174.94 174.48 1jrb s THR 42 N -0.51 3.66 0.27 4.00 -4.23 -0.46 -4.75 115.64 113.62 1jrb s THR 42 Ca 0.01 0.54 -0.29 0.00 -1.18 0.00 0.00 61.69 60.76 1jrb s THR 42 Cb -0.05 -3.28 -0.14 0.00 1.34 0.00 0.00 72.50 70.36 1jrb s THR 42 CO 0.00 -0.70 1.09 1.17 -0.54 0.00 0.00 174.62 175.64 1jrb n LYS 43 N -3.25 1.44 -1.69 3.99 3.00 -0.47 -4.00 118.16 117.18 1jrb n LYS 43 Ca 0.07 0.51 -0.44 0.00 -0.00 0.00 0.00 58.31 58.45 1jrb n LYS 43 Cb 0.55 -1.94 -0.04 0.00 0.00 0.00 0.00 35.03 33.60 1jrb n LYS 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1jrb n SER 44 N 1.40 3.51 -4.69 3.14 7.64 -1.26 -4.55 113.62 118.81 1jrb n SER 44 Ca 0.10 1.07 -0.23 0.00 1.01 0.00 0.00 58.87 60.82 1jrb n SER 44 Cb 0.31 -1.49 -0.07 0.00 -1.01 0.00 0.00 64.21 61.95 1jrb n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jrb s SER 45 N 1.15 4.67 0.41 6.43 1.04 -0.64 -4.71 113.70 122.05 1jrb s SER 45 Ca 0.78 -0.66 0.07 0.00 0.48 0.00 0.00 55.95 56.62 1jrb s SER 45 Cb -0.60 -0.85 -0.08 0.00 0.10 0.00 0.00 66.02 64.59 1jrb s SER 45 CO 0.36 -0.11 0.02 0.42 0.98 0.00 0.00 173.24 174.91 1jrb s THR 46 N -2.35 2.03 0.17 2.02 -4.23 -1.26 -0.67 115.64 111.35 1jrb s THR 46 Ca 0.34 -1.98 -0.12 0.00 -1.18 0.00 0.00 61.69 58.75 1jrb s THR 46 Cb -0.05 -2.99 0.07 0.00 1.34 0.00 0.00 72.50 70.87 1jrb s THR 46 CO 0.21 -0.00 1.73 -0.07 -0.54 0.00 0.00 174.62 175.95 1jrb h LEU 47 N 1.75 0.81 -9.77 4.79 3.38 -1.92 0.11 115.31 114.46 1jrb h LEU 47 Ca -0.44 -0.16 -0.64 0.00 0.09 0.00 0.00 57.88 56.73 1jrb h LEU 47 Cb 1.24 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 1jrb h LEU 47 CO 0.80 0.75 -0.45 -1.61 0.09 0.00 0.00 178.44 178.02 1jrb s GLU 48 N -5.57 3.49 0.39 1.13 2.02 -1.26 -3.71 118.70 115.19 1jrb s GLU 48 Ca -0.13 -0.19 -0.25 0.00 0.02 0.00 0.00 54.97 54.42 1jrb s GLU 48 Cb 0.13 -3.11 -0.12 0.00 0.10 0.00 0.00 34.13 31.14 1jrb s GLU 48 CO 0.79 0.68 0.97 1.17 0.02 0.00 0.00 175.26 178.90 1jrb n LYS 49 N 1.19 1.30 -4.02 1.61 4.81 -1.26 -4.49 118.16 117.30 1jrb n LYS 49 Ca -0.13 0.46 -0.16 0.00 -0.87 0.00 0.00 58.31 57.62 1jrb n LYS 49 Cb 0.53 -1.95 -0.15 0.00 0.02 0.00 0.00 35.03 33.48 1jrb n LYS 49 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 1jrb s ARG 50 N -1.87 0.32 0.31 1.64 0.52 -0.30 -4.92 118.95 114.66 1jrb s ARG 50 Ca 0.62 -0.05 0.16 0.00 -0.52 0.00 0.00 55.73 55.95 1jrb s ARG 50 Cb -0.59 -0.38 0.19 0.00 0.52 0.00 0.00 34.95 34.69 1jrb s ARG 50 CO 0.58 -0.01 1.50 0.93 0.02 0.00 0.00 175.30 178.32 1jrb h GLU 51 N 6.58 0.00 0.00 3.54 5.08 -1.88 -2.10 114.58 125.80 1jrb h GLU 51 Ca -0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 1jrb h GLU 51 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1jrb h GLU 51 CO 0.49 0.45 0.00 0.41 -1.00 0.00 0.00 179.01 179.36 1jrb n GLY 52 N 1.06 -1.81 3.86 -3.84 0.00 -1.26 -4.64 105.19 98.54 1jrb n GLY 52 Ca 0.02 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.25 1jrb n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jrb s ASN 53 N -4.00 5.67 0.72 1.61 0.01 0.36 -4.96 114.94 114.35 1jrb s ASN 53 Ca 0.00 1.37 -0.16 0.00 -0.71 0.00 0.00 52.86 53.36 1jrb s ASN 53 Cb 0.00 -2.28 0.01 0.00 0.41 0.00 0.00 41.25 39.39 1jrb s ASN 53 CO 0.00 -1.23 1.05 -2.65 -1.51 0.00 0.00 177.10 172.76 1jrb n PRO 54 N -2.97 0.57 -3.27 -0.60 -0.02 -1.26 -4.93 135.00 122.52 1jrb n PRO 54 Ca 0.07 0.25 -0.39 0.00 -2.02 0.00 0.00 63.50 61.41 1jrb n PRO 54 Cb 0.55 -2.30 -0.06 0.00 -0.02 0.00 0.00 33.50 31.67 1jrb n PRO 54 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1jrb s LEU 55 N -3.60 4.19 -0.13 2.45 1.43 -1.26 -4.13 118.68 117.63 1jrb s LEU 55 Ca 0.75 0.73 -0.16 0.00 -1.03 0.00 0.00 54.13 54.42 1jrb s LEU 55 Cb -0.35 -2.71 -0.05 0.00 0.03 0.00 0.00 46.19 43.12 1jrb s LEU 55 CO 0.49 -0.12 0.37 0.00 0.23 0.00 0.00 176.35 177.32 1jrb s ALA 56 N 1.29 3.56 0.00 4.21 0.00 -1.26 -4.67 121.76 124.88 1jrb s ALA 56 Ca 0.25 -0.33 0.00 0.00 0.00 0.00 0.00 51.96 51.88 1jrb s ALA 56 Cb -0.15 -2.49 0.00 0.00 0.00 0.00 0.00 23.12 20.48 1jrb s ALA 56 CO 0.10 0.09 0.03 2.89 0.00 0.00 0.00 175.76 178.87 1jrb n ARG 57 N 3.46 3.09 -4.24 0.00 1.85 -1.26 -0.33 116.66 119.22 1jrb n ARG 57 Ca -0.10 -0.03 -0.20 0.00 -1.00 0.00 0.00 57.85 56.53 1jrb n ARG 57 Cb 0.52 -0.30 -0.16 0.00 -1.05 0.00 0.00 32.46 31.47 1jrb n ARG 57 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1jrb s TYR 58 N -0.45 0.80 -0.04 2.89 6.14 -1.26 -0.49 117.35 124.94 1jrb s TYR 58 Ca 0.00 -0.21 0.01 0.00 0.64 0.00 0.00 57.07 57.50 1jrb s TYR 58 Cb 0.00 -0.64 0.02 0.00 0.42 0.00 0.00 41.96 41.76 1jrb s TYR 58 CO 0.00 -0.15 -0.02 0.08 0.64 0.00 0.00 175.55 176.10 1jrb s VAL 59 N 0.61 0.37 0.04 3.14 1.01 -0.68 -5.01 120.40 119.88 1jrb s VAL 59 Ca -0.09 -0.03 -0.30 0.00 0.00 0.00 0.00 61.98 61.56 1jrb s VAL 59 Cb -0.12 -0.43 -0.05 0.00 0.00 0.00 0.00 36.38 35.78 1jrb s VAL 59 CO 0.00 0.19 1.18 -1.81 0.00 0.00 0.00 175.10 174.66 1jrb s ASP 60 N 0.98 7.10 0.25 3.32 1.01 -1.26 -1.90 116.67 126.17 1jrb s ASP 60 Ca -0.10 1.95 0.10 0.00 0.71 0.00 0.00 52.55 55.20 1jrb s ASP 60 Cb -0.14 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.17 1jrb s ASP 60 CO -0.01 -0.47 -0.05 -0.76 0.21 0.00 0.00 175.17 174.10 1jrb s LEU 61 N 1.26 3.08 0.24 1.23 1.43 0.28 -4.97 118.68 121.23 1jrb s LEU 61 Ca 0.58 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.95 1jrb s LEU 61 Cb -0.28 -1.63 0.45 0.00 0.03 0.00 0.00 46.19 44.77 1jrb s LEU 61 CO 0.28 0.02 1.74 -0.08 0.23 0.00 0.00 176.35 178.54 1jrb h GLU 62 N 2.11 0.47 -0.52 1.70 4.81 -2.02 -1.97 114.58 119.16 1jrb h GLU 62 Ca -0.44 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1jrb h GLU 62 Cb 1.24 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1jrb h GLU 62 CO 0.59 0.31 0.00 1.28 -0.73 0.00 0.00 179.01 180.46 1jrb n LEU 63 N -4.97 3.81 0.00 1.64 4.77 -1.26 -5.00 117.00 115.99 1jrb n LEU 63 Ca 0.14 -2.24 0.00 0.00 -0.03 0.00 0.00 56.01 53.88 1jrb n LEU 63 Cb 0.40 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.06 1jrb n LEU 63 CO 0.19 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.68 1jrb n GLY 64 N 0.86 -0.53 3.31 -0.72 0.00 -0.74 -1.41 105.19 105.95 1jrb n GLY 64 Ca 0.20 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.10 1jrb n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jrb s SER 65 N -4.00 -0.22 -0.01 1.61 1.04 -0.68 -0.56 113.70 110.88 1jrb s SER 65 Ca 0.00 -0.31 0.04 0.00 0.48 0.00 0.00 55.95 56.16 1jrb s SER 65 Cb 0.00 0.46 -0.01 0.00 0.10 0.00 0.00 66.02 66.57 1jrb s SER 65 CO 0.00 -0.83 -0.14 -0.51 0.98 0.00 0.00 173.24 172.73 1jrb s ILE 66 N -3.71 1.14 -0.02 -1.02 2.07 -0.80 -1.48 121.20 117.38 1jrb s ILE 66 Ca 0.02 -0.62 -0.10 0.00 -1.41 0.00 0.00 60.65 58.55 1jrb s ILE 66 Cb 0.02 -0.95 0.01 0.00 0.13 0.00 0.00 42.46 41.67 1jrb s ILE 66 CO -0.11 0.32 0.21 0.54 -1.91 0.00 0.00 174.94 173.98 1jrb s ASN 67 N -0.34 -0.08 -0.42 4.50 2.20 -0.59 -1.68 114.94 118.52 1jrb s ASN 67 Ca 0.06 -0.01 0.07 0.00 -0.94 0.00 0.00 52.86 52.03 1jrb s ASN 67 Cb -0.06 0.28 0.23 0.00 -2.00 0.00 0.00 41.25 39.70 1jrb s ASN 67 CO -0.01 -0.35 0.49 -0.24 -2.94 0.00 0.00 177.10 174.05 1jrb n SER 68 N 1.62 0.28 -0.05 3.54 2.88 0.36 -0.38 113.62 121.87 1jrb n SER 68 Ca -0.21 -2.67 -0.06 0.00 -1.33 0.00 0.00 58.87 54.60 1jrb n SER 68 Cb 0.56 -0.62 0.12 0.00 -0.75 0.00 0.00 64.21 63.52 1jrb n SER 68 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1jrb h MET 69 N 4.47 0.68 0.00 -1.46 2.86 -1.88 -3.42 114.93 116.18 1jrb h MET 69 Ca 0.13 -0.27 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 1jrb h MET 69 Cb 0.87 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.50 1jrb h MET 69 CO 0.47 0.86 0.00 0.41 1.06 0.00 0.00 176.91 179.71 1jrb n GLY 70 N -0.26 0.86 3.86 8.32 0.00 -1.26 -0.49 105.19 116.22 1jrb n GLY 70 Ca -0.00 -0.61 -0.26 0.00 0.00 0.00 0.00 46.02 45.15 1jrb n GLY 70 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1jrb n LEU 71 N 0.00 -2.49 -4.72 0.99 4.77 -1.26 -4.30 117.00 109.99 1jrb n LEU 71 Ca 0.00 -0.97 -0.42 0.00 -0.03 0.00 0.00 56.01 54.59 1jrb n LEU 71 Cb 0.26 -2.34 -0.03 0.00 -2.33 0.00 0.00 43.42 38.98 1jrb n LEU 71 CO 0.00 0.44 1.24 -2.16 -1.33 0.00 0.00 177.39 175.58 1jrb s PRO 72 N -6.35 4.21 0.06 3.23 0.04 -1.26 -4.62 135.00 130.30 1jrb s PRO 72 Ca 0.08 2.37 -0.27 0.00 0.04 0.00 0.00 61.00 63.22 1jrb s PRO 72 Cb -0.03 -3.19 0.09 0.00 0.04 0.00 0.00 34.50 31.41 1jrb s PRO 72 CO 0.87 -0.62 0.82 0.54 0.04 0.00 0.00 177.00 178.65 1jrb s ASN 73 N 1.26 -0.39 0.00 6.66 2.20 -0.79 -4.96 114.94 118.92 1jrb s ASN 73 Ca 0.71 -0.06 0.28 0.00 -0.94 0.00 0.00 52.86 52.84 1jrb s ASN 73 Cb -0.44 0.45 1.40 0.00 -2.00 0.00 0.00 41.25 40.66 1jrb s ASN 73 CO 0.31 -0.75 1.93 0.18 -2.94 0.00 0.00 177.10 175.83 1jrb n LEU 74 N -0.30 0.65 0.00 3.54 4.77 -1.26 -1.15 117.00 123.25 1jrb n LEU 74 Ca -0.10 -0.23 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1jrb n LEU 74 Cb 0.62 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1jrb n LEU 74 CO 0.11 0.12 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 1jrb n GLY 75 N 1.04 2.27 0.27 -0.72 0.00 -1.26 -4.39 105.19 102.40 1jrb n GLY 75 Ca 0.20 -1.72 -0.07 0.00 0.00 0.00 0.00 46.02 44.44 1jrb n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jrb h PHE 76 N 0.00 -0.62 -0.90 1.61 3.57 -0.86 -2.56 116.94 117.18 1jrb h PHE 76 Ca 0.00 0.04 0.10 0.00 3.53 0.00 0.00 57.97 61.64 1jrb h PHE 76 Cb 0.00 0.32 -0.07 0.00 2.79 0.00 0.00 35.95 38.99 1jrb h PHE 76 CO 0.00 -0.31 0.54 -0.44 -2.23 0.00 0.00 178.31 175.87 1jrb h ASP 77 N -0.19 0.80 -0.21 0.41 3.32 -1.86 -0.86 116.42 117.82 1jrb h ASP 77 Ca 0.17 0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.30 1jrb h ASP 77 Cb 0.46 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1jrb h ASP 77 CO -0.45 0.46 -0.01 0.22 -1.72 0.00 0.00 179.24 177.73 1jrb h TYR 78 N 0.90 -0.03 -0.21 4.55 3.20 -1.69 -0.96 116.97 122.72 1jrb h TYR 78 Ca 0.43 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.26 1jrb h TYR 78 Cb 0.36 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.67 1jrb h TYR 78 CO -0.04 -0.04 -0.08 1.88 -1.64 0.00 0.00 178.16 178.24 1jrb h TYR 79 N 0.05 0.49 -0.24 -3.82 0.05 -1.28 -2.63 116.97 109.59 1jrb h TYR 79 Ca 0.10 -0.11 0.05 0.00 0.05 0.00 0.00 58.73 58.82 1jrb h TYR 79 Cb 0.13 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 37.70 1jrb h TYR 79 CO -0.19 0.69 -0.11 1.25 -1.05 0.00 0.00 178.16 178.75 1jrb h LEU 80 N 0.14 -0.38 -1.09 3.88 5.85 -1.16 -1.48 115.31 121.08 1jrb h LEU 80 Ca 0.05 0.09 0.07 0.00 0.84 0.00 0.00 57.88 58.94 1jrb h LEU 80 Cb 0.55 0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.73 1jrb h LEU 80 CO 0.03 -0.14 0.61 0.44 -0.34 0.00 0.00 178.44 179.04 1jrb h ASP 81 N -0.08 0.95 0.13 1.25 3.32 -1.17 -0.56 116.42 120.26 1jrb h ASP 81 Ca 0.13 0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 1jrb h ASP 81 Cb 0.27 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jrb h ASP 81 CO -0.29 0.60 -0.06 0.22 -1.72 0.00 0.00 179.24 177.98 1jrb h TYR 82 N 1.07 -0.16 -0.49 4.55 3.20 -1.04 -2.18 116.97 121.92 1jrb h TYR 82 Ca 0.41 -0.00 -0.12 0.00 3.14 0.00 0.00 58.73 62.16 1jrb h TYR 82 Cb 0.22 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 1jrb h TYR 82 CO -0.00 0.12 -0.18 -0.39 -1.64 0.00 0.00 178.16 176.07 1jrb h VAL 83 N -0.44 1.27 -0.94 1.81 -1.51 -0.94 -1.90 116.25 113.61 1jrb h VAL 83 Ca -0.02 -1.34 0.04 0.00 -1.23 0.00 0.00 66.70 64.16 1jrb h VAL 83 Cb 0.35 1.09 -0.06 0.00 -2.13 0.00 0.00 31.29 30.55 1jrb h VAL 83 CO 0.03 0.47 0.61 -0.07 -1.23 0.00 0.00 177.57 177.38 1jrb h LEU 84 N 0.85 1.00 -0.80 4.19 3.38 -1.11 -1.16 115.31 121.66 1jrb h LEU 84 Ca 0.12 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.96 1jrb h LEU 84 Cb 0.75 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 1jrb h LEU 84 CO 0.06 0.67 -0.59 0.11 0.09 0.00 0.00 178.44 178.78 1jrb h LYS 85 N 1.15 0.00 -0.00 1.13 1.57 -1.14 -2.81 116.57 116.46 1jrb h LYS 85 Ca 0.38 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 1jrb h LYS 85 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1jrb h LYS 85 CO -0.12 0.59 -0.21 -1.71 -0.57 0.00 0.00 179.45 177.43 1jrb n ASN 86 N -3.80 0.35 0.02 0.86 2.85 -0.74 -2.75 115.26 112.05 1jrb n ASN 86 Ca -0.01 -0.14 -0.17 0.00 -0.11 0.00 0.00 54.58 54.14 1jrb n ASN 86 Cb 0.60 -0.09 -0.14 0.00 1.24 0.00 0.00 39.78 41.39 1jrb n ASN 86 CO 0.00 0.00 0.00 -0.61 -2.11 0.00 0.00 177.26 174.54 1jrb h GLN 87 N 0.23 0.21 -0.25 1.20 4.15 -1.16 -3.38 115.11 116.11 1jrb h GLN 87 Ca 0.00 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.04 1jrb h GLN 87 Cb 0.45 0.13 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1jrb h GLN 87 CO 0.00 1.02 0.02 0.87 -1.93 0.00 0.00 178.83 178.81 1jrb h LYS 88 N 0.06 0.37 -4.34 1.69 1.57 -1.42 -3.30 116.57 111.19 1jrb h LYS 88 Ca -0.34 -0.06 -0.73 0.00 -1.87 0.00 0.00 60.65 57.66 1jrb h LYS 88 Cb 2.03 -0.06 -0.27 0.00 0.08 0.00 0.00 32.23 34.00 1jrb h LYS 88 CO 0.11 0.38 -0.40 -1.21 -0.57 0.00 0.00 179.45 177.76 1jrb s GLU 89 N -5.03 2.64 -0.43 3.15 0.41 -1.11 -5.06 118.70 113.27 1jrb s GLU 89 Ca -0.07 -1.59 -0.28 0.00 -0.41 0.00 0.00 54.97 52.62 1jrb s GLU 89 Cb 0.16 -3.93 -0.00 0.00 -1.78 0.00 0.00 34.13 28.58 1jrb s GLU 89 CO 0.73 -1.09 1.58 -0.80 -0.49 0.00 0.00 175.26 175.20 1jrb s ASN 90 N 2.53 6.05 -0.30 -0.19 0.02 -1.25 -4.85 114.94 116.97 1jrb s ASN 90 Ca 0.04 0.85 -0.18 0.00 -1.02 0.00 0.00 52.86 52.55 1jrb s ASN 90 Cb -0.25 -2.54 0.19 0.00 0.02 0.00 0.00 41.25 38.67 1jrb s ASN 90 CO 0.02 -1.66 1.24 0.00 0.02 0.00 0.00 177.10 176.71 1jrb s ALA 91 N 6.36 -3.38 0.00 0.60 0.00 -1.26 -5.05 121.76 119.03 1jrb s ALA 91 Ca 0.67 1.68 0.00 0.00 0.00 0.00 0.00 51.96 54.31 1jrb s ALA 91 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.61 1jrb s ALA 91 CO 0.31 -1.11 0.00 0.94 0.00 0.00 0.00 175.76 175.90 1jrb n GLN 92 N 4.84 0.00 -1.55 0.00 7.27 -1.26 -4.96 117.38 121.71 1jrb n GLN 92 Ca -0.07 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.00 1jrb n GLN 92 Cb 0.55 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.20 1jrb n GLN 92 CO 0.00 0.00 0.00 -0.85 0.07 0.00 0.00 177.06 176.28 1jrb n GLU 93 N 0.00 0.00 0.00 3.69 0.28 -1.26 -4.74 120.64 118.61 1jrb n GLU 93 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.00 1jrb n GLU 93 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 1jrb n GLU 93 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1jrb n GLY 94 N -0.31 1.25 3.69 -1.84 0.00 -1.26 -4.40 105.19 102.32 1jrb n GLY 94 Ca 0.00 0.41 -0.42 0.00 0.00 0.00 0.00 46.02 46.01 1jrb n GLY 94 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jrb n PRO 95 N 0.00 2.04 -2.70 1.61 -0.04 -1.26 -5.01 135.00 129.63 1jrb n PRO 95 Ca 0.00 0.72 -0.35 0.00 -0.04 0.00 0.00 63.50 63.83 1jrb n PRO 95 Cb 0.00 -2.31 -0.06 0.00 -0.04 0.00 0.00 33.50 31.09 1jrb n PRO 95 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jrb s ILE 96 N -1.12 4.09 -0.02 0.52 1.01 -1.26 -4.69 121.20 119.72 1jrb s ILE 96 Ca 0.57 1.44 -0.01 0.00 0.00 0.00 0.00 60.65 62.64 1jrb s ILE 96 Cb -0.56 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1jrb s ILE 96 CO 0.61 -0.15 0.08 -0.36 0.00 0.00 0.00 174.94 175.12 1jrb s PHE 97 N -1.92 3.30 -0.24 3.97 0.40 -0.77 -1.78 117.98 120.94 1jrb s PHE 97 Ca 0.60 0.24 0.00 0.00 -0.60 0.00 0.00 56.93 57.17 1jrb s PHE 97 Cb -0.15 -1.76 0.06 0.00 0.51 0.00 0.00 43.02 41.68 1jrb s PHE 97 CO 0.19 0.56 -0.04 0.12 0.70 0.00 0.00 175.22 176.76 1jrb s PHE 98 N -1.15 2.31 0.02 0.36 2.19 0.15 -1.36 117.98 120.50 1jrb s PHE 98 Ca 0.21 -1.72 -0.13 0.00 0.33 0.00 0.00 56.93 55.61 1jrb s PHE 98 Cb -0.12 -1.58 -0.06 0.00 -1.31 0.00 0.00 43.02 39.96 1jrb s PHE 98 CO 0.12 -0.77 0.41 0.45 1.83 0.00 0.00 175.22 177.26 1jrb s SER 99 N 1.42 6.77 0.05 6.13 0.15 -1.26 -1.04 113.70 125.93 1jrb s SER 99 Ca -0.05 0.92 0.08 0.00 0.70 0.00 0.00 55.95 57.61 1jrb s SER 99 Cb -0.19 -2.23 -0.03 0.00 -1.71 0.00 0.00 66.02 61.86 1jrb s SER 99 CO -0.07 0.28 -0.22 0.27 1.20 0.00 0.00 173.24 174.71 1jrb s ILE 100 N -1.17 1.74 -0.42 6.45 -4.36 -0.60 -1.63 121.20 121.21 1jrb s ILE 100 Ca 0.26 -1.24 0.07 0.00 -0.26 0.00 0.00 60.65 59.48 1jrb s ILE 100 Cb -0.16 -1.51 0.23 0.00 1.25 0.00 0.00 42.46 42.27 1jrb s ILE 100 CO 0.15 0.22 0.58 0.00 0.24 0.00 0.00 174.94 176.13 1jrb n ALA 101 N 1.82 1.42 -1.60 2.27 0.00 0.16 -1.19 120.51 123.39 1jrb n ALA 101 Ca -0.17 -2.79 -0.37 0.00 0.00 0.00 0.00 53.44 50.11 1jrb n ALA 101 Cb 0.53 -0.95 0.08 0.00 0.00 0.00 0.00 19.45 19.10 1jrb n ALA 101 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jrb n GLY 102 N 1.76 0.21 0.04 0.00 0.00 -1.25 -4.55 105.19 101.39 1jrb n GLY 102 Ca 0.20 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1jrb n GLY 102 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1jrb n MET 103 N -1.89 0.08 -4.16 1.61 2.81 -1.26 -4.77 117.12 109.54 1jrb n MET 103 Ca 0.15 0.23 -0.11 0.00 -1.81 0.00 0.00 57.70 56.16 1jrb n MET 103 Cb 0.48 -1.62 -0.09 0.00 -0.71 0.00 0.00 33.22 31.28 1jrb n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jrb s SER 104 N -3.48 0.16 0.21 7.83 1.04 -1.26 -5.01 113.70 113.19 1jrb s SER 104 Ca 0.08 -1.28 -0.11 0.00 0.48 0.00 0.00 55.95 55.12 1jrb s SER 104 Cb 0.12 0.38 0.27 0.00 0.10 0.00 0.00 66.02 66.89 1jrb s SER 104 CO 0.40 -0.84 1.68 0.00 0.98 0.00 0.00 173.24 175.45 1jrb h ALA 105 N 2.64 0.60 -0.29 5.32 0.00 -2.00 -1.81 119.26 123.73 1jrb h ALA 105 Ca -0.35 0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.75 1jrb h ALA 105 Cb 1.24 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1jrb h ALA 105 CO 0.53 -0.37 0.14 0.00 0.00 0.00 0.00 179.25 179.54 1jrb h ALA 106 N 1.51 0.35 -0.50 0.00 0.00 -1.98 0.26 119.26 118.91 1jrb h ALA 106 Ca 0.30 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.22 1jrb h ALA 106 Cb 0.48 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1jrb h ALA 106 CO -0.47 -0.25 0.29 1.49 0.00 0.00 0.00 179.25 180.31 1jrb h GLU 107 N 0.29 0.68 -0.88 0.00 4.81 -1.87 0.16 114.58 117.78 1jrb h GLU 107 Ca 0.12 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1jrb h GLU 107 Cb 0.05 -0.14 -0.06 0.00 0.63 0.00 0.00 28.75 29.23 1jrb h GLU 107 CO -0.09 0.52 0.57 -0.91 -0.73 0.00 0.00 179.01 178.36 1jrb h ASN 108 N 0.66 0.93 -0.37 1.04 2.35 -0.97 -0.72 115.58 118.50 1jrb h ASN 108 Ca 0.18 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.88 1jrb h ASN 108 Cb 0.02 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.17 1jrb h ASN 108 CO -0.03 0.62 0.04 0.40 -1.65 0.00 0.00 177.43 176.81 1jrb h ILE 109 N 1.08 1.25 -0.54 2.81 1.08 -0.48 -0.81 117.51 121.90 1jrb h ILE 109 Ca 0.36 -0.91 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 1jrb h ILE 109 Cb 0.05 1.12 -0.03 0.00 -3.07 0.00 0.00 36.82 34.89 1jrb h ILE 109 CO -0.13 0.30 0.33 0.00 -0.69 0.00 0.00 178.15 177.96 1jrb h ALA 110 N 0.89 0.69 -0.62 1.87 0.00 -0.87 0.98 119.26 122.21 1jrb h ALA 110 Ca 0.11 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1jrb h ALA 110 Cb 0.40 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1jrb h ALA 110 CO 0.01 0.04 0.20 0.52 0.00 0.00 0.00 179.25 180.02 1jrb h MET 111 N 0.65 0.97 -0.47 0.00 2.86 -0.91 -2.41 114.93 115.61 1jrb h MET 111 Ca 0.22 -0.21 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 1jrb h MET 111 Cb 0.02 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.51 1jrb h MET 111 CO -0.09 0.85 0.01 -0.07 1.06 0.00 0.00 176.91 178.67 1jrb h LEU 112 N 0.89 0.73 -0.81 1.22 3.38 -0.76 -0.31 115.31 119.66 1jrb h LEU 112 Ca 0.20 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.96 1jrb h LEU 112 Cb 0.29 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1jrb h LEU 112 CO -0.01 0.79 0.34 0.11 0.09 0.00 0.00 178.44 179.76 1jrb h LYS 113 N 0.72 1.20 -0.47 1.13 1.57 -0.64 -0.45 116.57 119.63 1jrb h LYS 113 Ca 0.14 -0.21 -0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1jrb h LYS 113 Cb 0.43 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.52 1jrb h LYS 113 CO 0.02 0.96 0.10 0.87 -0.57 0.00 0.00 179.45 180.82 1jrb h LYS 114 N 1.17 0.77 -0.30 3.15 1.57 -0.96 0.33 116.57 122.30 1jrb h LYS 114 Ca 0.27 -0.19 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1jrb h LYS 114 Cb 0.20 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1jrb h LYS 114 CO -0.02 0.76 0.14 0.82 -0.57 0.00 0.00 179.45 180.58 1jrb h ILE 115 N 0.64 0.98 -0.65 1.86 2.04 -0.86 0.11 117.51 121.64 1jrb h ILE 115 Ca 0.15 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.89 1jrb h ILE 115 Cb 0.35 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 1jrb h ILE 115 CO 0.00 0.06 0.35 -0.61 0.00 0.00 0.00 178.15 177.95 1jrb h GLN 116 N 0.30 0.90 0.00 2.37 5.75 -0.94 -2.51 115.11 121.00 1jrb h GLN 116 Ca 0.13 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.41 1jrb h GLN 116 Cb 0.05 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.41 1jrb h GLN 116 CO -0.09 0.69 -0.51 0.93 -2.65 0.00 0.00 178.83 177.20 1jrb h GLU 117 N 0.88 0.00 -7.49 1.69 5.08 -0.71 -3.45 114.58 110.58 1jrb h GLU 117 Ca 0.23 0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.17 1jrb h GLU 117 Cb 0.05 0.00 0.19 0.00 0.50 0.00 0.00 28.75 29.49 1jrb h GLU 117 CO -0.04 0.51 0.19 -1.54 -1.00 0.00 0.00 179.01 177.13 1jrb s SER 118 N -6.72 1.08 0.00 1.42 1.04 0.38 -4.94 113.70 105.96 1jrb s SER 118 Ca -0.01 0.46 0.13 0.00 0.48 0.00 0.00 55.95 57.01 1jrb s SER 118 Cb 0.12 -0.58 0.61 0.00 0.10 0.00 0.00 66.02 66.27 1jrb s SER 118 CO 0.73 -4.01 1.42 0.47 0.98 0.00 0.00 173.24 172.84 1jrb n ASP 119 N -4.66 0.72 -4.65 7.02 8.00 -1.26 -4.95 116.55 116.77 1jrb n ASP 119 Ca 0.15 -1.73 -0.47 0.00 0.71 0.00 0.00 54.79 53.45 1jrb n ASP 119 Cb 0.60 -0.07 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 1jrb n ASP 119 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jrb n PHE 120 N -0.23 2.10 -0.71 1.24 7.35 -1.26 -4.86 117.46 121.09 1jrb n PHE 120 Ca 0.11 0.36 0.07 0.00 -0.76 0.00 0.00 57.45 57.23 1jrb n PHE 120 Cb 0.15 -2.49 0.12 0.00 0.35 0.00 0.00 39.48 37.61 1jrb n PHE 120 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jrb n SER 121 N 3.12 2.49 -1.68 -2.13 3.41 -1.26 -5.00 113.62 112.56 1jrb n SER 121 Ca 0.17 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.06 1jrb n SER 121 Cb 0.27 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 1jrb n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jrb n GLY 122 N -0.94 1.27 3.21 5.00 0.00 -1.26 -4.96 105.19 107.51 1jrb n GLY 122 Ca 0.12 -1.68 -0.28 0.00 0.00 0.00 0.00 46.02 44.18 1jrb n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrb s ILE 123 N 1.28 1.71 -0.02 -0.61 1.01 -0.73 -4.56 121.20 119.28 1jrb s ILE 123 Ca 0.00 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.77 1jrb s ILE 123 Cb 0.00 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.99 1jrb s ILE 123 CO 0.00 0.48 -0.03 -0.89 0.00 0.00 0.00 174.94 174.50 1jrb s THR 124 N -0.23 3.93 -0.20 2.92 2.01 -0.62 -0.68 115.64 122.78 1jrb s THR 124 Ca 0.01 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.43 1jrb s THR 124 Cb -0.11 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.73 1jrb s THR 124 CO 0.01 0.45 -0.17 -0.70 -0.69 0.00 0.00 174.62 173.52 1jrb s GLU 125 N -1.29 2.74 -0.37 4.92 2.12 -0.20 -0.51 118.70 126.11 1jrb s GLU 125 Ca 0.17 -0.94 -0.22 0.00 0.36 0.00 0.00 54.97 54.34 1jrb s GLU 125 Cb -0.11 -2.61 0.01 0.00 0.26 0.00 0.00 34.13 31.67 1jrb s GLU 125 CO 0.07 -0.30 0.70 -1.17 -0.54 0.00 0.00 175.26 174.02 1jrb s LEU 126 N 1.26 4.22 -0.60 2.70 2.96 0.36 -1.56 118.68 128.01 1jrb s LEU 126 Ca 0.02 0.19 -0.27 0.00 -0.22 0.00 0.00 54.13 53.84 1jrb s LEU 126 Cb -0.15 -2.89 0.03 0.00 0.50 0.00 0.00 46.19 43.69 1jrb s LEU 126 CO -0.11 -0.68 1.17 0.21 -1.32 0.00 0.00 176.35 175.63 1jrb s ASN 127 N 1.84 6.38 -0.15 3.68 3.84 -0.33 -1.10 114.94 129.11 1jrb s ASN 127 Ca 0.27 -0.05 0.13 0.00 0.21 0.00 0.00 52.86 53.41 1jrb s ASN 127 Cb -0.14 -2.54 0.63 0.00 -0.55 0.00 0.00 41.25 38.65 1jrb s ASN 127 CO 0.16 -1.51 1.48 0.18 -2.79 0.00 0.00 177.10 174.63 1jrb n LEU 128 N 8.47 4.44 -0.55 3.21 4.77 -0.66 -4.44 117.00 132.24 1jrb n LEU 128 Ca 0.07 -2.25 -0.00 0.00 -0.03 0.00 0.00 56.01 53.80 1jrb n LEU 128 Cb 0.49 -0.60 -0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1jrb n LEU 128 CO 0.70 0.60 0.25 -1.54 -1.33 0.00 0.00 177.39 176.07 1jrb n SER 129 N 0.65 0.01 -4.57 -1.43 3.41 -1.26 -1.64 113.62 108.80 1jrb n SER 129 Ca 0.22 -1.61 -0.40 0.00 -0.26 0.00 0.00 58.87 56.82 1jrb n SER 129 Cb 0.90 -0.11 -0.03 0.00 -0.26 0.00 0.00 64.21 64.71 1jrb n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jrb n PRO 131 N 8.89 0.31 -0.70 0.00 -0.06 -1.26 -4.14 135.00 138.03 1jrb n PRO 131 Ca 0.18 -0.03 -0.01 0.00 -0.06 0.00 0.00 63.50 63.58 1jrb n PRO 131 Cb 0.50 -1.57 0.23 0.00 -0.06 0.00 0.00 33.50 32.60 1jrb n PRO 131 CO 0.00 0.00 0.00 0.27 -0.06 0.00 0.00 175.50 175.71 1jrb n ASN 132 N -1.94 3.31 -4.64 3.54 6.94 -1.26 -4.87 115.26 116.33 1jrb n ASN 132 Ca 0.01 -3.42 -0.41 0.00 -0.02 0.00 0.00 54.58 50.74 1jrb n ASN 132 Cb 0.44 -0.62 -0.05 0.00 -2.36 0.00 0.00 39.78 37.19 1jrb n ASN 132 CO 0.00 0.00 0.00 0.68 -1.03 0.00 0.00 177.26 176.91 1jrb s VAL 133 N -3.07 4.91 -0.41 3.53 -7.23 -1.26 -4.29 120.40 112.59 1jrb s VAL 133 Ca 0.45 1.36 -0.28 0.00 -1.81 0.00 0.00 61.98 61.70 1jrb s VAL 133 Cb 0.39 -4.03 -0.00 0.00 0.56 0.00 0.00 36.38 33.30 1jrb s VAL 133 CO 0.05 -0.02 1.57 -2.16 -0.31 0.00 0.00 175.10 174.23 1jrb s PRO 134 N 2.65 3.42 0.00 4.82 0.04 -1.26 -4.26 135.00 140.42 1jrb s PRO 134 Ca 0.31 1.05 0.00 0.00 0.04 0.00 0.00 61.00 62.40 1jrb s PRO 134 Cb -0.15 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.27 1jrb s PRO 134 CO 0.08 -1.76 0.00 0.41 0.04 0.00 0.00 177.00 175.77 1jrb n GLY 135 N 5.25 0.60 0.00 0.56 0.00 -1.26 -5.14 105.19 105.19 1jrb n GLY 135 Ca 0.19 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1jrb n GLY 135 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrb n LYS 136 N 0.00 0.00 -1.71 1.61 4.76 -1.26 -5.13 118.16 116.43 1jrb n LYS 136 Ca 0.00 0.00 -0.57 0.00 -2.87 0.00 0.00 58.31 54.87 1jrb n LYS 136 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 1jrb n LYS 136 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1jrb n PRO 137 N 0.00 1.22 -1.11 1.97 -0.04 -1.26 -4.81 135.00 130.97 1jrb n PRO 137 Ca 0.00 0.45 -0.44 0.00 -0.04 0.00 0.00 63.50 63.47 1jrb n PRO 137 Cb 0.00 -2.14 -0.06 0.00 -0.04 0.00 0.00 33.50 31.26 1jrb n PRO 137 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1jrb n GLN 138 N 5.36 0.00 -0.36 0.54 6.02 -1.26 -4.79 117.38 122.89 1jrb n GLN 138 Ca 0.26 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 57.25 1jrb n GLN 138 Cb 0.14 -1.05 0.14 0.00 1.02 0.00 0.00 30.24 30.49 1jrb n GLN 138 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1jrb h LEU 139 N 2.63 1.06 0.00 1.08 5.85 -1.86 -1.87 115.31 122.21 1jrb h LEU 139 Ca -0.34 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.37 1jrb h LEU 139 Cb 0.98 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.77 1jrb h LEU 139 CO 0.54 0.72 0.00 0.00 -0.34 0.00 0.00 178.44 179.37 1jrb n ALA 140 N -2.37 2.50 1.30 1.25 0.00 -0.65 -1.17 120.51 121.37 1jrb n ALA 140 Ca 0.13 -0.17 0.13 0.00 0.00 0.00 0.00 53.44 53.53 1jrb n ALA 140 Cb 0.10 -1.44 0.37 0.00 0.00 0.00 0.00 19.45 18.48 1jrb n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jrb n TYR 141 N -1.02 0.00 -3.59 0.00 4.01 -0.70 -4.66 117.16 111.20 1jrb n TYR 141 Ca 0.20 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.54 1jrb n TYR 141 Cb 0.10 -0.04 -0.08 0.00 -0.31 0.00 0.00 39.34 39.01 1jrb n TYR 141 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jrb s ASP 142 N -2.20 5.71 0.20 7.72 -1.08 -0.32 -4.99 116.67 121.72 1jrb s ASP 142 Ca 0.31 -2.49 -0.09 0.00 -0.52 0.00 0.00 52.55 49.76 1jrb s ASP 142 Cb 0.20 -1.98 0.13 0.00 -1.46 0.00 0.00 42.92 39.81 1jrb s ASP 142 CO 0.41 -0.52 1.75 -0.26 0.52 0.00 0.00 175.17 177.07 1jrb h PHE 143 N 7.69 1.15 -0.46 -5.34 0.04 -1.83 0.39 116.94 118.57 1jrb h PHE 143 Ca -0.05 -0.10 -0.04 0.00 2.80 0.00 0.00 57.97 60.57 1jrb h PHE 143 Cb 1.01 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.81 1jrb h PHE 143 CO 0.75 0.89 0.13 1.49 -0.60 0.00 0.00 178.31 180.97 1jrb h GLU 144 N 1.07 0.73 -0.16 1.51 4.81 -1.94 -0.52 114.58 120.07 1jrb h GLU 144 Ca 0.24 -0.17 -0.11 0.00 -0.13 0.00 0.00 59.36 59.19 1jrb h GLU 144 Cb 0.26 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1jrb h GLU 144 CO -0.01 0.71 -0.40 0.00 -0.73 0.00 0.00 179.01 178.58 1jrb h ALA 145 N 0.99 1.02 -0.05 2.92 0.00 -1.76 -1.51 119.26 120.87 1jrb h ALA 145 Ca 0.15 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1jrb h ALA 145 Cb 0.29 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1jrb h ALA 145 CO -0.00 0.61 0.02 1.15 0.00 0.00 0.00 179.25 181.02 1jrb h THR 146 N 0.30 1.15 -0.36 0.00 2.02 -0.56 -1.71 112.91 113.76 1jrb h THR 146 Ca 0.03 -0.45 0.01 0.00 0.77 0.00 0.00 66.41 66.77 1jrb h THR 146 Cb 0.83 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.57 1jrb h THR 146 CO 0.07 0.12 0.21 -0.08 0.37 0.00 0.00 175.52 176.22 1jrb h GLU 147 N -0.08 0.43 -0.69 6.66 4.81 -0.92 -1.39 114.58 123.39 1jrb h GLU 147 Ca 0.02 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1jrb h GLU 147 Cb 0.18 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.41 1jrb h GLU 147 CO -0.00 0.28 0.40 -0.22 -0.73 0.00 0.00 179.01 178.74 1jrb h LYS 148 N 0.44 0.72 0.00 1.92 3.64 -1.18 -1.31 116.57 120.80 1jrb h LYS 148 Ca 0.14 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.48 1jrb h LYS 148 Cb -0.01 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1jrb h LYS 148 CO -0.06 0.48 -0.00 1.25 -2.27 0.00 0.00 179.45 178.85 1jrb h LEU 149 N 0.75 -0.00 -1.18 5.20 5.85 -0.92 -2.39 115.31 122.61 1jrb h LEU 149 Ca 0.31 -0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1jrb h LEU 149 Cb 0.16 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 1jrb h LEU 149 CO -0.17 0.15 0.55 -0.07 -0.34 0.00 0.00 178.44 178.56 1jrb h LEU 150 N -0.15 0.96 -0.35 2.25 3.38 -1.15 0.77 115.31 121.01 1jrb h LEU 150 Ca -0.00 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1jrb h LEU 150 Cb 0.15 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1jrb h LEU 150 CO 0.00 0.70 0.10 0.11 0.09 0.00 0.00 178.44 179.44 1jrb h LYS 151 N 1.13 0.23 -0.38 1.13 1.57 -1.06 -1.19 116.57 118.01 1jrb h LYS 151 Ca 0.31 -0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 1jrb h LYS 151 Cb -0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1jrb h LYS 151 CO -0.07 0.15 0.04 1.49 -0.57 0.00 0.00 179.45 180.50 1jrb h GLU 152 N 0.24 0.64 -0.56 3.15 4.81 -0.71 -2.86 114.58 119.28 1jrb h GLU 152 Ca 0.16 -0.18 0.10 0.00 -0.13 0.00 0.00 59.36 59.31 1jrb h GLU 152 Cb 0.16 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.39 1jrb h GLU 152 CO -0.18 0.71 0.13 0.28 -0.73 0.00 0.00 179.01 179.22 1jrb h VAL 153 N 0.47 0.69 -0.06 0.32 2.07 -0.45 -2.33 116.25 116.96 1jrb h VAL 153 Ca 0.11 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1jrb h VAL 153 Cb 0.39 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1jrb h VAL 153 CO 0.01 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.14 1jrb n PHE 154 N -5.10 0.08 0.40 1.57 3.72 -0.49 -1.13 117.46 116.50 1jrb n PHE 154 Ca 0.08 -0.04 0.13 0.00 -0.05 0.00 0.00 57.45 57.57 1jrb n PHE 154 Cb 0.29 0.00 0.50 0.00 -0.94 0.00 0.00 39.48 39.32 1jrb n PHE 154 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1jrb h THR 155 N 0.98 0.00 0.00 4.37 1.35 -1.20 -3.40 112.91 115.02 1jrb h THR 155 Ca 0.00 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.46 1jrb h THR 155 Cb 0.21 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1jrb h THR 155 CO 0.00 0.00 -0.08 2.22 -0.25 0.00 0.00 175.52 177.41 1jrb n PHE 156 N -2.50 0.00 -3.39 4.73 1.16 -0.58 -5.06 117.46 111.81 1jrb n PHE 156 Ca 0.03 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.18 1jrb n PHE 156 Cb 0.31 0.00 -0.09 0.00 -1.61 0.00 0.00 39.48 38.09 1jrb n PHE 156 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1jrb s PHE 157 N -0.17 3.20 -1.11 2.97 5.36 -0.29 -4.89 117.98 123.06 1jrb s PHE 157 Ca 0.00 -0.35 0.13 0.00 -0.96 0.00 0.00 56.93 55.75 1jrb s PHE 157 Cb 0.00 -2.73 -0.03 0.00 -0.34 0.00 0.00 43.02 39.92 1jrb s PHE 157 CO 0.00 -0.59 0.71 0.25 -1.46 0.00 0.00 175.22 174.14 1jrb n THR 158 N 5.29 0.00 -2.00 0.12 -2.24 -1.26 -4.74 114.28 109.45 1jrb n THR 158 Ca -0.09 -0.33 -0.29 0.00 -2.27 0.00 0.00 64.05 61.07 1jrb n THR 158 Cb 0.48 1.13 0.06 0.00 -2.10 0.00 0.00 70.33 69.89 1jrb n THR 158 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jrb s LYS 159 N -1.75 2.59 0.13 -0.78 1.02 -1.26 -4.98 119.74 114.71 1jrb s LYS 159 Ca 0.10 0.23 -0.31 0.00 0.02 0.00 0.00 55.97 56.01 1jrb s LYS 159 Cb 0.10 -2.06 -0.10 0.00 -0.52 0.00 0.00 37.83 35.26 1jrb s LYS 159 CO 0.37 -1.14 1.73 -2.14 -0.92 0.00 0.00 175.35 173.25 1jrb s PRO 160 N -5.34 4.16 -0.04 -1.68 0.02 -1.26 -4.96 135.00 125.90 1jrb s PRO 160 Ca 0.59 2.50 0.01 0.00 0.02 0.00 0.00 61.00 64.11 1jrb s PRO 160 Cb -0.11 -3.43 0.02 0.00 0.02 0.00 0.00 34.50 31.01 1jrb s PRO 160 CO 0.49 -0.76 -0.02 -1.17 -0.33 0.00 0.00 177.00 175.21 1jrb s LEU 161 N 2.17 1.21 0.34 -5.54 2.96 -1.26 -1.59 118.68 116.98 1jrb s LEU 161 Ca 0.76 -0.08 0.09 0.00 -0.22 0.00 0.00 54.13 54.68 1jrb s LEU 161 Cb -0.45 -0.35 -0.05 0.00 0.50 0.00 0.00 46.19 45.83 1jrb s LEU 161 CO 0.34 -0.08 0.01 -0.83 -1.32 0.00 0.00 176.35 174.46 1jrb s GLY 162 N 1.03 2.08 0.03 7.98 0.00 0.33 0.08 107.32 118.86 1jrb s GLY 162 Ca -0.10 -1.97 0.09 0.00 0.00 0.00 0.00 44.72 42.74 1jrb s GLY 162 CO -0.01 -1.91 -0.26 -1.34 0.00 0.00 0.00 173.10 169.58 1jrb s VAL 163 N -2.53 2.06 -0.28 1.40 -7.23 -0.76 -0.49 120.40 112.58 1jrb s VAL 163 Ca 0.35 -1.31 -0.13 0.00 -1.81 0.00 0.00 61.98 59.07 1jrb s VAL 163 Cb 0.00 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.15 1jrb s VAL 163 CO 0.19 0.39 0.29 -0.75 -0.31 0.00 0.00 175.10 174.91 1jrb s LYS 164 N -1.11 3.93 0.10 4.82 2.47 -0.26 -0.63 119.74 129.07 1jrb s LYS 164 Ca 0.11 -0.17 0.06 0.00 -1.56 0.00 0.00 55.97 54.41 1jrb s LYS 164 Cb -0.10 -3.68 -0.04 0.00 -1.46 0.00 0.00 37.83 32.56 1jrb s LYS 164 CO 0.01 -0.26 -0.05 -0.51 0.16 0.00 0.00 175.35 174.70 1jrb s LEU 165 N 1.93 3.25 0.81 5.43 1.43 0.45 -1.66 118.68 130.31 1jrb s LEU 165 Ca 0.11 -0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 52.81 1jrb s LEU 165 Cb -0.16 -2.01 0.08 0.00 0.03 0.00 0.00 46.19 44.13 1jrb s LEU 165 CO 0.11 0.17 1.09 -2.16 0.23 0.00 0.00 176.35 175.79 1jrb s PRO 166 N -2.28 1.95 0.25 1.29 0.04 -1.26 -0.99 135.00 133.99 1jrb s PRO 166 Ca 0.24 0.75 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1jrb s PRO 166 Cb -0.11 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.44 1jrb s PRO 166 CO 0.16 -1.74 1.33 -1.25 0.04 0.00 0.00 177.00 175.54 1jrb s PRO 167 N -5.07 4.36 0.24 0.56 0.04 -1.26 -4.80 135.00 129.07 1jrb s PRO 167 Ca 0.61 2.15 0.07 0.00 0.04 0.00 0.00 61.00 63.87 1jrb s PRO 167 Cb -0.15 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.21 1jrb s PRO 167 CO 0.55 -0.26 0.15 0.71 0.04 0.00 0.00 177.00 178.19 1jrb s TYR 168 N -0.28 3.03 0.00 0.56 2.02 -1.26 -5.05 117.35 116.37 1jrb s TYR 168 Ca 0.55 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1jrb s TYR 168 Cb -0.38 -1.37 0.00 0.00 -0.40 0.00 0.00 41.96 39.80 1jrb s TYR 168 CO 0.43 0.54 0.40 1.19 -1.57 0.00 0.00 175.55 176.54 1jrb n PHE 169 N -1.01 0.00 -4.16 2.71 3.01 -1.26 -4.87 117.46 111.88 1jrb n PHE 169 Ca -0.08 -0.07 -0.20 0.00 1.01 0.00 0.00 57.45 58.12 1jrb n PHE 169 Cb 0.58 -0.01 -0.16 0.00 -0.01 0.00 0.00 39.48 39.88 1jrb n PHE 169 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jrb s ASP 170 N -0.14 0.90 0.40 4.37 -1.08 -1.26 -5.04 116.67 114.82 1jrb s ASP 170 Ca 0.00 -0.12 0.09 0.00 -0.52 0.00 0.00 52.55 52.00 1jrb s ASP 170 Cb 0.00 -0.43 0.83 0.00 -1.46 0.00 0.00 42.92 41.86 1jrb s ASP 170 CO 0.00 -0.05 1.97 -0.07 0.52 0.00 0.00 175.17 177.53 1jrb h LEU 171 N 7.15 0.29 -1.22 -1.34 3.38 -2.00 -0.26 115.31 121.31 1jrb h LEU 171 Ca -0.38 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.49 1jrb h LEU 171 Cb 1.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 1jrb h LEU 171 CO 0.47 0.35 -0.03 0.58 0.09 0.00 0.00 178.44 179.91 1jrb h VAL 172 N 0.31 1.20 -0.54 1.22 2.07 -1.99 -0.91 116.25 117.61 1jrb h VAL 172 Ca 0.07 -0.82 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 1jrb h VAL 172 Cb 0.23 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 1jrb h VAL 172 CO 0.01 0.28 -0.03 0.45 0.02 0.00 0.00 177.57 178.29 1jrb h HIS 173 N 0.48 1.04 -0.88 1.57 3.86 -1.48 -0.96 115.15 118.78 1jrb h HIS 173 Ca 0.10 -0.18 0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1jrb h HIS 173 Cb 0.36 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 28.50 1jrb h HIS 173 CO 0.01 0.95 0.56 0.74 0.86 0.00 0.00 177.93 181.05 1jrb h PHE 174 N 0.87 1.04 -0.06 2.45 0.04 -0.96 -0.84 116.94 119.48 1jrb h PHE 174 Ca 0.15 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.95 1jrb h PHE 174 Cb 0.56 -0.34 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 1jrb h PHE 174 CO 0.04 0.55 0.04 -0.44 -0.60 0.00 0.00 178.31 177.90 1jrb h ASP 175 N 1.04 0.08 -0.56 2.17 3.32 -0.67 -0.70 116.42 121.10 1jrb h ASP 175 Ca 0.37 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.40 1jrb h ASP 175 Cb 0.12 -0.02 -0.03 0.00 0.22 0.00 0.00 39.33 39.62 1jrb h ASP 175 CO -0.16 0.08 0.34 0.40 -1.72 0.00 0.00 179.24 178.18 1jrb h ILE 176 N 0.07 1.17 -0.40 0.35 2.04 -0.96 -2.16 117.51 117.62 1jrb h ILE 176 Ca 0.02 -0.38 -0.15 0.00 1.00 0.00 0.00 64.86 65.36 1jrb h ILE 176 Cb 0.01 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.50 1jrb h ILE 176 CO -0.00 0.17 -0.34 0.24 0.00 0.00 0.00 178.15 178.22 1jrb h MET 177 N 0.75 0.93 -0.50 2.37 2.86 -1.09 -1.98 114.93 118.27 1jrb h MET 177 Ca 0.20 -0.47 -0.06 0.00 -2.06 0.00 0.00 59.70 57.31 1jrb h MET 177 Cb -0.01 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.63 1jrb h MET 177 CO -0.04 1.13 0.08 0.00 1.06 0.00 0.00 176.91 179.14 1jrb h ALA 178 N 0.78 1.21 -0.63 6.32 0.00 -1.06 0.18 119.26 126.06 1jrb h ALA 178 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1jrb h ALA 178 Cb 0.93 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1jrb h ALA 178 CO 0.09 0.54 0.26 1.49 0.00 0.00 0.00 179.25 181.62 1jrb h GLU 179 N 0.75 0.95 0.52 0.00 4.81 -1.29 0.14 114.58 120.46 1jrb h GLU 179 Ca 0.16 -0.17 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1jrb h GLU 179 Cb 0.33 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.56 1jrb h GLU 179 CO 0.00 0.80 -0.25 0.82 -0.73 0.00 0.00 179.01 179.65 1jrb h ILE 180 N 0.89 0.48 -0.12 2.32 2.04 -0.69 -3.29 117.51 119.14 1jrb h ILE 180 Ca 0.21 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.97 1jrb h ILE 180 Cb 0.20 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1jrb h ILE 180 CO -0.02 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.69 1jrb h LEU 181 N -0.71 0.26 -2.39 1.44 3.38 -0.41 -2.70 115.31 114.18 1jrb h LEU 181 Ca -0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1jrb h LEU 181 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1jrb h LEU 181 CO 0.12 0.61 0.00 0.78 0.09 0.00 0.00 178.44 180.04 1jrb h ASN 182 N 0.22 0.00 0.48 -0.43 2.35 -0.80 -1.73 115.58 115.66 1jrb h ASN 182 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1jrb h ASN 182 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1jrb h ASN 182 CO 0.06 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.84 1jrb n GLN 183 N -2.91 0.51 -4.18 0.81 10.64 -1.02 -4.89 117.38 116.35 1jrb n GLN 183 Ca -0.02 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.93 1jrb n GLN 183 Cb 0.11 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 27.92 1jrb n GLN 183 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1jrb s PHE 184 N -2.48 2.77 -0.40 2.61 0.08 -0.65 -5.02 117.98 114.88 1jrb s PHE 184 Ca 0.31 -0.26 -0.05 0.00 0.12 0.00 0.00 56.93 57.05 1jrb s PHE 184 Cb 0.20 -1.40 -0.04 0.00 -0.57 0.00 0.00 43.02 41.21 1jrb s PHE 184 CO 0.44 0.49 3.00 -0.35 -0.10 0.00 0.00 175.22 178.71 1jrb n PRO 185 N -1.04 2.45 -2.26 0.24 -0.04 -1.26 -4.94 135.00 128.14 1jrb n PRO 185 Ca -0.05 -2.02 -0.38 0.00 -0.04 0.00 0.00 63.50 61.01 1jrb n PRO 185 Cb 0.60 -2.15 -0.02 0.00 -0.04 0.00 0.00 33.50 31.89 1jrb n PRO 185 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jrb s LEU 186 N -1.49 4.18 0.03 1.53 1.43 -1.26 -4.81 118.68 118.29 1jrb s LEU 186 Ca 0.61 2.38 -0.16 0.00 -1.03 0.00 0.00 54.13 55.93 1jrb s LEU 186 Cb 0.35 -4.03 -0.33 0.00 0.03 0.00 0.00 46.19 42.21 1jrb s LEU 186 CO -0.15 -0.72 1.03 0.74 0.23 0.00 0.00 176.35 177.48 1jrb h THR 187 N 2.29 1.31 -2.94 5.49 2.02 -0.66 -3.39 112.91 117.03 1jrb h THR 187 Ca -0.49 -2.58 -0.01 0.00 0.77 0.00 0.00 66.41 64.11 1jrb h THR 187 Cb 1.24 2.93 -0.12 0.00 -1.74 0.00 0.00 68.15 70.46 1jrb h THR 187 CO 0.62 0.77 0.23 -0.72 0.37 0.00 0.00 175.52 176.80 1jrb s TYR 188 N -2.73 -0.52 -0.01 3.16 -0.85 -1.23 -1.90 117.35 113.28 1jrb s TYR 188 Ca -0.10 0.31 0.06 0.00 -0.52 0.00 0.00 57.07 56.81 1jrb s TYR 188 Cb 0.04 0.56 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1jrb s TYR 188 CO 0.93 -0.83 -0.17 0.14 -1.52 0.00 0.00 175.55 174.09 1jrb s VAL 189 N -3.70 2.83 -0.25 -3.49 -7.23 -0.32 -1.82 120.40 106.41 1jrb s VAL 189 Ca 0.02 -0.95 -0.03 0.00 -1.81 0.00 0.00 61.98 59.21 1jrb s VAL 189 Cb -0.01 -2.12 0.02 0.00 0.56 0.00 0.00 36.38 34.82 1jrb s VAL 189 CO -0.12 0.49 -0.03 0.21 -0.31 0.00 0.00 175.10 175.34 1jrb s ASN 190 N -0.98 4.43 -0.37 4.85 3.84 0.20 -0.69 114.94 126.23 1jrb s ASN 190 Ca 0.13 -0.75 0.02 0.00 0.21 0.00 0.00 52.86 52.47 1jrb s ASN 190 Cb -0.10 -1.71 0.11 0.00 -0.55 0.00 0.00 41.25 38.99 1jrb s ASN 190 CO 0.02 -0.12 0.12 -0.44 -2.79 0.00 0.00 177.10 173.89 1jrb s SER 191 N 1.39 4.33 0.02 -4.21 0.01 -0.44 -0.42 113.70 114.38 1jrb s SER 191 Ca 0.02 -2.16 -0.02 0.00 1.31 0.00 0.00 55.95 55.09 1jrb s SER 191 Cb -0.16 -1.31 -0.01 0.00 0.21 0.00 0.00 66.02 64.74 1jrb s SER 191 CO -0.03 -0.36 0.02 0.68 0.41 0.00 0.00 173.24 173.96 1jrb s VAL 192 N 0.91 0.10 0.98 3.43 -7.23 -0.33 -1.04 120.40 117.22 1jrb s VAL 192 Ca 0.12 -0.86 -0.16 0.00 -1.81 0.00 0.00 61.98 59.26 1jrb s VAL 192 Cb -0.20 -0.35 0.24 0.00 0.56 0.00 0.00 36.38 36.63 1jrb s VAL 192 CO -0.11 -0.47 1.06 -3.20 -0.31 0.00 0.00 175.10 172.06 1jrb n ASN 193 N 1.51 -1.00 -4.54 4.85 2.85 -0.16 -4.52 115.26 114.25 1jrb n ASN 193 Ca -0.23 -1.24 -0.39 0.00 -0.11 0.00 0.00 54.58 52.60 1jrb n ASN 193 Cb 0.55 -0.89 0.03 0.00 1.24 0.00 0.00 39.78 40.72 1jrb n ASN 193 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1jrb n SER 194 N -4.23 -0.06 -4.67 1.20 7.64 -1.26 -4.49 113.62 107.75 1jrb n SER 194 Ca 0.14 0.83 -0.42 0.00 1.01 0.00 0.00 58.87 60.42 1jrb n SER 194 Cb 0.51 -1.27 -0.03 0.00 -1.01 0.00 0.00 64.21 62.42 1jrb n SER 194 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jrb s ILE 195 N -1.55 3.87 0.43 0.44 1.01 -0.25 -4.64 121.20 120.51 1jrb s ILE 195 Ca 0.69 1.12 -0.24 0.00 0.00 0.00 0.00 60.65 62.23 1jrb s ILE 195 Cb -0.47 -3.72 -0.08 0.00 0.01 0.00 0.00 42.46 38.20 1jrb s ILE 195 CO 0.53 -0.07 1.14 -0.83 0.00 0.00 0.00 174.94 175.71 1jrb s GLY 196 N 2.39 2.79 -1.26 6.18 0.00 -1.26 -0.87 107.32 115.29 1jrb s GLY 196 Ca 0.64 0.89 -0.16 0.00 0.00 0.00 0.00 44.72 46.09 1jrb s GLY 196 CO 0.24 1.36 0.60 0.70 0.00 0.00 0.00 173.10 176.00 1jrb n ASN 197 N -0.26 -3.12 -3.91 1.64 3.02 -1.15 -4.88 115.26 106.61 1jrb n ASN 197 Ca 0.06 -1.09 -0.16 0.00 -0.03 0.00 0.00 54.58 53.36 1jrb n ASN 197 Cb 0.48 -2.81 0.08 0.00 -0.61 0.00 0.00 39.78 36.92 1jrb n ASN 197 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1jrb n GLY 198 N -1.92 0.99 3.02 7.41 0.00 -0.09 -4.72 105.19 109.88 1jrb n GLY 198 Ca -0.18 -2.06 -0.13 0.00 0.00 0.00 0.00 46.02 43.66 1jrb n GLY 198 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jrb s LEU 199 N 0.00 1.02 -0.02 0.99 2.96 -1.26 -0.79 118.68 121.58 1jrb s LEU 199 Ca 0.47 0.36 0.06 0.00 -0.22 0.00 0.00 54.13 54.80 1jrb s LEU 199 Cb -0.03 0.55 -0.01 0.00 0.50 0.00 0.00 46.19 47.20 1jrb s LEU 199 CO 0.31 -0.10 -0.20 0.12 -1.32 0.00 0.00 176.35 175.15 1jrb s PHE 200 N 0.58 1.85 -0.04 5.38 5.36 -1.26 -5.06 117.98 124.78 1jrb s PHE 200 Ca -0.04 -0.37 0.06 0.00 -0.96 0.00 0.00 56.93 55.62 1jrb s PHE 200 Cb -0.05 -1.19 -0.01 0.00 -0.34 0.00 0.00 43.02 41.42 1jrb s PHE 200 CO -0.03 -0.05 -0.21 0.42 -1.46 0.00 0.00 175.22 173.89 1jrb s ILE 201 N -0.44 1.72 -0.56 3.12 1.01 -1.26 -3.58 121.20 121.22 1jrb s ILE 201 Ca 0.07 -0.90 -0.23 0.00 0.00 0.00 0.00 60.65 59.58 1jrb s ILE 201 Cb -0.08 -1.46 0.05 0.00 0.01 0.00 0.00 42.46 40.98 1jrb s ILE 201 CO -0.00 0.49 0.91 -0.62 0.00 0.00 0.00 174.94 175.72 1jrb s ASP 202 N -0.23 6.31 0.45 3.58 -1.08 0.23 -4.93 116.67 120.99 1jrb s ASP 202 Ca 0.01 -0.47 0.19 0.00 -0.52 0.00 0.00 52.55 51.76 1jrb s ASP 202 Cb -0.11 -2.42 1.07 0.00 -1.46 0.00 0.00 42.92 40.00 1jrb s ASP 202 CO 0.01 -1.22 1.96 1.55 0.52 0.00 0.00 175.17 177.99 1jrb h PRO 203 N 9.31 0.00 0.05 4.34 0.13 -1.95 0.26 132.00 144.14 1jrb h PRO 203 Ca -0.27 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.86 1jrb h PRO 203 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 1jrb h PRO 203 CO 1.09 0.22 -0.02 1.49 -0.23 0.00 0.00 178.00 180.55 1jrb h GLU 204 N 0.00 -0.07 0.00 0.86 4.57 -1.96 -3.03 114.58 114.96 1jrb h GLU 204 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1jrb h GLU 204 Cb 0.47 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.07 1jrb h GLU 204 CO 0.03 0.26 -0.03 0.00 -1.18 0.00 0.00 179.01 178.08 1jrb n ALA 205 N -2.29 2.36 -3.62 2.92 0.00 -1.14 -4.91 120.51 113.83 1jrb n ALA 205 Ca -0.08 -0.08 -0.24 0.00 0.00 0.00 0.00 53.44 53.04 1jrb n ALA 205 Cb 0.19 -1.45 0.07 0.00 0.00 0.00 0.00 19.45 18.26 1jrb n ALA 205 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jrb n GLU 206 N -1.82 -7.61 -3.96 0.00 1.02 0.87 -4.97 120.64 104.17 1jrb n GLU 206 Ca 0.06 0.80 -0.10 0.00 -0.02 0.00 0.00 57.16 57.91 1jrb n GLU 206 Cb 0.38 -5.84 -0.07 0.00 -0.02 0.00 0.00 31.44 25.89 1jrb n GLU 206 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1jrb s SER 207 N -3.41 0.06 1.10 1.62 1.04 -0.89 -4.98 113.70 108.23 1jrb s SER 207 Ca 0.55 -0.88 -0.15 0.00 0.48 0.00 0.00 55.95 55.95 1jrb s SER 207 Cb -0.25 0.42 0.24 0.00 0.10 0.00 0.00 66.02 66.54 1jrb s SER 207 CO 0.74 -0.88 1.09 0.68 0.98 0.00 0.00 173.24 175.85 1jrb s VAL 208 N -3.97 1.85 0.00 5.02 -7.23 -1.26 -0.60 120.40 114.21 1jrb s VAL 208 Ca 0.17 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.34 1jrb s VAL 208 Cb 0.04 -2.44 0.00 0.00 0.56 0.00 0.00 36.38 34.54 1jrb s VAL 208 CO -0.00 0.00 0.21 1.33 -0.31 0.00 0.00 175.10 176.32 1jrb n VAL 209 N -4.50 0.00 -4.38 1.32 0.24 -1.23 -4.65 118.33 105.13 1jrb n VAL 209 Ca 0.07 -0.45 -0.29 0.00 -2.04 0.00 0.00 64.34 61.64 1jrb n VAL 209 Cb 0.58 1.05 -0.13 0.00 -1.47 0.00 0.00 33.84 33.87 1jrb n VAL 209 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1jrb s ILE 210 N -0.48 2.35 -0.08 1.34 -4.36 -1.26 -4.80 121.20 113.90 1jrb s ILE 210 Ca 0.00 -1.75 -0.23 0.00 -0.26 0.00 0.00 60.65 58.41 1jrb s ILE 210 Cb 0.00 -2.06 -0.19 0.00 1.25 0.00 0.00 42.46 41.47 1jrb s ILE 210 CO 0.00 0.07 0.82 0.50 0.24 0.00 0.00 174.94 176.57 1jrb h LYS 211 N 3.80 -0.07 -7.19 0.37 3.64 -0.95 -3.19 116.57 112.98 1jrb h LYS 211 Ca -0.50 0.00 -0.53 0.00 -1.27 0.00 0.00 60.65 58.35 1jrb h LYS 211 Cb 1.17 0.02 0.16 0.00 -0.41 0.00 0.00 32.23 33.17 1jrb h LYS 211 CO 0.41 0.55 0.38 -1.25 -2.27 0.00 0.00 179.45 177.26 1jrb s PRO 212 N -2.92 2.10 -1.48 1.90 0.04 -1.26 -3.91 135.00 129.47 1jrb s PRO 212 Ca -0.14 1.72 -0.05 0.00 0.04 0.00 0.00 61.00 62.57 1jrb s PRO 212 Cb -0.01 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.72 1jrb s PRO 212 CO 0.55 -1.86 0.49 1.63 0.04 0.00 0.00 177.00 177.85 1jrb n LYS 213 N -2.82 -4.09 -2.26 4.56 5.02 -1.26 -1.34 118.16 115.97 1jrb n LYS 213 Ca 0.13 0.79 -0.14 0.00 -2.02 0.00 0.00 58.31 57.08 1jrb n LYS 213 Cb 0.50 -5.58 -0.02 0.00 -0.02 0.00 0.00 35.03 29.91 1jrb n LYS 213 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jrb n ASP 214 N -2.38 -4.11 0.00 4.39 8.00 -1.25 -2.24 116.55 118.95 1jrb n ASP 214 Ca -0.10 0.19 0.00 0.00 0.71 0.00 0.00 54.79 55.59 1jrb n ASP 214 Cb 0.61 -3.53 0.00 0.00 -0.02 0.00 0.00 41.12 38.18 1jrb n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jrb n GLY 215 N -0.74 0.59 3.76 0.44 0.00 -0.45 -4.89 105.19 103.91 1jrb n GLY 215 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 1jrb n GLY 215 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jrb s PHE 216 N -2.11 3.85 0.25 1.61 0.40 -0.95 -4.40 117.98 116.62 1jrb s PHE 216 Ca 0.00 1.59 -0.20 0.00 -0.60 0.00 0.00 56.93 57.72 1jrb s PHE 216 Cb 0.00 -2.80 0.02 0.00 0.51 0.00 0.00 43.02 40.76 1jrb s PHE 216 CO 0.00 0.42 0.64 0.20 0.70 0.00 0.00 175.22 177.18 1jrb s GLY 217 N -0.72 -0.07 0.38 4.36 0.00 0.03 -4.75 107.32 106.55 1jrb s GLY 217 Ca 0.37 -0.27 -0.26 0.00 0.00 0.00 0.00 44.72 44.56 1jrb s GLY 217 CO 0.25 -0.16 1.21 -0.32 0.00 0.00 0.00 173.10 174.08 1jrb s GLY 218 N -2.90 2.92 -0.12 0.20 0.00 0.49 -0.92 107.32 106.99 1jrb s GLY 218 Ca 0.11 1.05 -0.04 0.00 0.00 0.00 0.00 44.72 45.85 1jrb s GLY 218 CO 0.03 1.61 0.02 -0.42 0.00 0.00 0.00 173.10 174.34 1jrb s ILE 219 N -1.31 4.44 0.29 0.90 -1.09 -0.05 -1.55 121.20 122.83 1jrb s ILE 219 Ca 0.54 -0.18 0.03 0.00 -2.23 0.00 0.00 60.65 58.81 1jrb s ILE 219 Cb -0.34 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.62 1jrb s ILE 219 CO 0.43 0.56 0.11 0.61 -1.23 0.00 0.00 174.94 175.42 1jrb n GLY 220 N 2.58 3.47 3.14 6.18 0.00 -0.55 -1.09 105.19 118.93 1jrb n GLY 220 Ca -0.18 -2.05 0.00 0.00 0.00 0.00 0.00 46.02 43.79 1jrb n GLY 220 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrb n GLY 221 N 0.06 -1.04 0.20 -0.02 0.00 -1.26 -1.68 105.19 101.44 1jrb n GLY 221 Ca -0.04 -1.61 0.02 0.00 0.00 0.00 0.00 46.02 44.40 1jrb n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrb h ALA 222 N 0.00 1.42 -0.90 4.61 0.00 -1.53 -0.56 119.26 122.30 1jrb h ALA 222 Ca 0.00 -0.31 0.22 0.00 0.00 0.00 0.00 54.91 54.82 1jrb h ALA 222 Cb 0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1jrb h ALA 222 CO 0.00 0.43 0.60 1.88 0.00 0.00 0.00 179.25 182.16 1jrb h TYR 223 N 0.04 0.43 -0.16 0.00 0.05 -1.59 -2.84 116.97 112.90 1jrb h TYR 223 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.80 1jrb h TYR 223 Cb 0.60 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.21 1jrb h TYR 223 CO 0.00 0.11 0.00 0.44 -1.05 0.00 0.00 178.16 177.66 1jrb n ILE 224 N -4.47 0.31 -0.31 -2.88 -5.35 -0.22 -4.65 119.36 101.80 1jrb n ILE 224 Ca 0.19 -0.66 -0.03 0.00 -0.27 0.00 0.00 62.75 61.99 1jrb n ILE 224 Cb 0.75 1.06 0.09 0.00 -1.74 0.00 0.00 39.64 39.81 1jrb n ILE 224 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1jrb h LYS 225 N 2.96 1.08 -0.80 6.28 3.64 -1.53 0.09 116.57 128.29 1jrb h LYS 225 Ca 0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 1jrb h LYS 225 Cb 0.70 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 1jrb h LYS 225 CO 0.00 0.71 0.50 -1.35 -2.27 0.00 0.00 179.45 177.04 1jrb h PRO 226 N 1.11 1.08 -0.15 1.90 0.11 -1.82 0.55 132.00 134.76 1jrb h PRO 226 Ca 0.32 -0.09 -0.18 0.00 0.11 0.00 0.00 66.00 66.16 1jrb h PRO 226 Cb -0.08 -0.23 -0.00 0.00 0.11 0.00 0.00 31.00 30.80 1jrb h PRO 226 CO -0.09 0.74 -0.65 1.15 -0.21 0.00 0.00 178.00 178.95 1jrb h THR 227 N 1.09 1.33 -0.20 -1.15 2.02 -1.62 -2.67 112.91 111.71 1jrb h THR 227 Ca 0.29 -1.93 -0.02 0.00 0.77 0.00 0.00 66.41 65.51 1jrb h THR 227 Cb -0.07 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.24 1jrb h THR 227 CO -0.06 0.60 0.03 0.00 0.37 0.00 0.00 175.52 176.46 1jrb h ALA 228 N 0.86 0.26 -0.86 6.16 0.00 -0.00 -1.18 119.26 124.51 1jrb h ALA 228 Ca -0.01 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1jrb h ALA 228 Cb 1.22 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 1jrb h ALA 228 CO 0.12 -0.06 0.56 -0.07 0.00 0.00 0.00 179.25 179.80 1jrb h LEU 229 N 0.12 0.92 -0.87 0.00 3.38 0.03 -1.21 115.31 117.67 1jrb h LEU 229 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1jrb h LEU 229 Cb 0.32 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.82 1jrb h LEU 229 CO 0.00 0.63 0.56 0.00 0.09 0.00 0.00 178.44 179.72 1jrb h ALA 230 N 1.50 1.11 -0.23 1.53 0.00 -1.25 0.11 119.26 122.03 1jrb h ALA 230 Ca 0.34 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.08 1jrb h ALA 230 Cb 0.03 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 1jrb h ALA 230 CO -0.10 0.54 -0.23 -0.91 0.00 0.00 0.00 179.25 178.55 1jrb h ASN 231 N 1.19 0.60 -0.03 0.00 2.35 -0.35 0.41 115.58 119.74 1jrb h ASN 231 Ca 0.32 -0.47 0.01 0.00 -0.55 0.00 0.00 56.30 55.60 1jrb h ASN 231 Cb -0.10 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 1jrb h ASN 231 CO -0.07 0.95 -0.03 0.58 -1.65 0.00 0.00 177.43 177.21 1jrb h VAL 232 N 0.26 0.90 -0.78 2.81 2.07 -0.91 -2.03 116.25 118.57 1jrb h VAL 232 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 1jrb h VAL 232 Cb 0.78 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.41 1jrb h VAL 232 CO 0.06 0.00 0.49 -0.09 0.02 0.00 0.00 177.57 178.05 1jrb h ARG 233 N -0.05 1.04 -0.21 1.57 9.65 -0.73 -0.08 114.38 125.57 1jrb h ARG 233 Ca 0.02 -0.08 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 1jrb h ARG 233 Cb 0.08 -0.23 -0.01 0.00 -1.39 0.00 0.00 29.97 28.42 1jrb h ARG 233 CO -0.06 0.72 -0.32 0.00 2.80 0.00 0.00 179.97 183.10 1jrb h ALA 234 N 1.27 1.04 0.01 2.80 0.00 -0.81 -1.19 119.26 122.38 1jrb h ALA 234 Ca 0.28 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.62 1jrb h ALA 234 Cb -0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1jrb h ALA 234 CO -0.06 0.59 -0.89 0.74 0.00 0.00 0.00 179.25 179.63 1jrb h PHE 235 N 0.38 0.11 -0.92 0.00 0.04 -1.11 -3.19 116.94 112.26 1jrb h PHE 235 Ca 0.05 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1jrb h PHE 235 Cb 0.76 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.85 1jrb h PHE 235 CO 0.02 0.92 0.58 -0.92 -0.60 0.00 0.00 178.31 178.31 1jrb h TYR 236 N 0.04 1.18 -0.00 -0.55 3.20 -0.01 0.36 116.97 121.19 1jrb h TYR 236 Ca -0.03 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1jrb h TYR 236 Cb 1.55 -0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.43 1jrb h TYR 236 CO 0.01 0.77 -0.05 0.25 -1.64 0.00 0.00 178.16 177.50 1jrb n THR 237 N -4.37 0.00 -0.02 1.81 -2.24 -0.55 -4.09 114.28 104.82 1jrb n THR 237 Ca 0.10 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 1jrb n THR 237 Cb 0.04 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 67.85 1jrb n THR 237 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jrb n ARG 238 N -1.28 2.85 -2.54 -0.78 1.74 -0.55 -5.04 116.66 111.07 1jrb n ARG 238 Ca 0.12 -0.01 -0.35 0.00 -0.77 0.00 0.00 57.85 56.84 1jrb n ARG 238 Cb 0.28 -1.12 -0.04 0.00 -1.02 0.00 0.00 32.46 30.56 1jrb n ARG 238 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jrb s LEU 239 N -4.22 3.95 0.51 0.55 1.43 0.12 -4.93 118.68 116.09 1jrb s LEU 239 Ca -0.02 1.98 -0.21 0.00 -1.03 0.00 0.00 54.13 54.84 1jrb s LEU 239 Cb 0.02 -4.42 -0.08 0.00 0.03 0.00 0.00 46.19 41.74 1jrb s LEU 239 CO 0.19 -0.68 0.94 2.29 0.23 0.00 0.00 176.35 179.32 1jrb n LYS 240 N -0.64 1.10 0.24 1.70 2.85 -1.26 -4.89 118.16 117.26 1jrb n LYS 240 Ca 0.08 0.41 0.16 0.00 -1.05 0.00 0.00 58.31 57.90 1jrb n LYS 240 Cb 0.51 -2.06 0.71 0.00 -0.65 0.00 0.00 35.03 33.54 1jrb n LYS 240 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1jrb h PRO 241 N 0.99 0.00 -0.51 -1.58 0.13 -1.95 -1.15 132.00 127.93 1jrb h PRO 241 Ca -0.46 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.74 1jrb h PRO 241 Cb 1.35 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.45 1jrb h PRO 241 CO 0.53 0.00 0.34 0.93 -0.23 0.00 0.00 178.00 179.58 1jrb h GLU 242 N 0.00 0.37 -5.07 0.86 3.07 -1.94 -3.38 114.58 108.48 1jrb h GLU 242 Ca 0.00 -0.02 -0.67 0.00 -0.50 0.00 0.00 59.36 58.17 1jrb h GLU 242 Cb 0.34 -0.08 -0.17 0.00 -0.84 0.00 0.00 28.75 28.00 1jrb h GLU 242 CO 0.00 0.24 -0.13 0.42 -1.40 0.00 0.00 179.01 178.14 1jrb s ILE 243 N -5.36 5.05 0.66 3.13 1.01 -0.44 -4.79 121.20 120.46 1jrb s ILE 243 Ca -0.07 0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 1jrb s ILE 243 Cb 0.19 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.74 1jrb s ILE 243 CO 0.74 -0.31 0.93 -1.10 0.00 0.00 0.00 174.94 175.21 1jrb s GLN 244 N 2.28 2.12 -0.04 2.79 -0.21 -0.80 -4.81 119.66 121.00 1jrb s GLN 244 Ca 0.15 -0.67 0.07 0.00 0.02 0.00 0.00 55.36 54.93 1jrb s GLN 244 Cb -0.16 -2.31 -0.01 0.00 1.00 0.00 0.00 33.01 31.52 1jrb s GLN 244 CO 0.14 -1.15 -0.24 0.42 -2.12 0.00 0.00 175.29 172.33 1jrb s ILE 245 N -3.07 1.97 -0.19 1.08 1.01 -1.26 -1.18 121.20 119.56 1jrb s ILE 245 Ca 0.61 -1.04 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1jrb s ILE 245 Cb -0.09 -1.65 -0.03 0.00 0.01 0.00 0.00 42.46 40.69 1jrb s ILE 245 CO 0.43 0.55 0.04 -0.63 0.00 0.00 0.00 174.94 175.32 1jrb s ILE 246 N -0.30 4.45 -0.14 2.92 1.01 0.13 -0.25 121.20 129.01 1jrb s ILE 246 Ca 0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 60.65 60.46 1jrb s ILE 246 Cb -0.12 -3.01 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1jrb s ILE 246 CO 0.02 0.44 0.04 -0.83 0.00 0.00 0.00 174.94 174.62 1jrb s GLY 247 N 0.62 1.91 -0.00 6.18 0.00 -0.50 -1.33 107.32 114.19 1jrb s GLY 247 Ca 0.02 -0.75 0.01 0.00 0.00 0.00 0.00 44.72 43.99 1jrb s GLY 247 CO 0.02 -0.20 -0.04 -1.59 0.00 0.00 0.00 173.10 171.29 1jrb s THR 248 N -0.18 0.33 0.00 0.90 2.01 -0.21 -0.53 115.64 117.96 1jrb s THR 248 Ca 0.07 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 61.89 1jrb s THR 248 Cb -0.12 -0.28 0.00 0.00 0.01 0.00 0.00 72.50 72.10 1jrb s THR 248 CO 0.02 0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 1jrb n GLY 249 N 3.00 3.29 2.24 4.40 0.00 -1.26 -1.18 105.19 115.67 1jrb n GLY 249 Ca -0.13 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 45.45 1jrb n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jrb n GLY 250 N 0.00 0.91 3.58 -0.02 0.00 -1.24 -4.53 105.19 103.89 1jrb n GLY 250 Ca 0.00 -0.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 1jrb n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jrb s ILE 251 N -2.22 4.66 0.00 -0.61 1.01 -1.26 -4.75 121.20 118.03 1jrb s ILE 251 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.54 1jrb s ILE 251 Cb 0.00 -4.28 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1jrb s ILE 251 CO 0.00 -0.53 0.00 1.21 0.00 0.00 0.00 174.94 175.62 1jrb n GLU 252 N 6.62 1.51 -4.47 2.79 2.13 -1.26 -4.52 120.64 123.43 1jrb n GLU 252 Ca 0.04 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.60 1jrb n GLU 252 Cb 0.48 -0.81 -0.10 0.00 0.27 0.00 0.00 31.44 31.28 1jrb n GLU 252 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1jrb s THR 253 N -1.62 2.18 0.36 6.31 -4.23 -1.26 -4.90 115.64 112.48 1jrb s THR 253 Ca 0.00 -1.97 0.06 0.00 -1.18 0.00 0.00 61.69 58.60 1jrb s THR 253 Cb 0.00 -2.92 0.19 0.00 1.34 0.00 0.00 72.50 71.11 1jrb s THR 253 CO 0.00 -0.06 1.93 1.23 -0.54 0.00 0.00 174.62 177.18 1jrb h GLY 254 N 1.75 0.53 1.00 3.99 0.00 -1.85 -1.96 103.07 106.53 1jrb h GLY 254 Ca -0.43 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 46.63 1jrb h GLY 254 CO 0.75 0.26 0.35 -1.61 0.00 0.00 0.00 176.54 176.30 1jrb h GLN 255 N 0.48 0.71 -0.98 4.80 4.15 -1.94 0.23 115.11 122.56 1jrb h GLN 255 Ca 0.11 -0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.55 1jrb h GLN 255 Cb 0.22 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 1jrb h GLN 255 CO -0.00 0.47 0.63 -0.44 -1.93 0.00 0.00 178.83 177.56 1jrb h ASP 256 N 0.73 1.02 -0.29 -0.69 3.32 -1.73 -1.20 116.42 117.58 1jrb h ASP 256 Ca 0.20 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.22 1jrb h ASP 256 Cb -0.08 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 1jrb h ASP 256 CO -0.04 0.66 0.04 0.00 -1.72 0.00 0.00 179.24 178.18 1jrb h ALA 257 N 1.43 0.38 -0.83 3.45 0.00 -1.01 -1.53 119.26 121.16 1jrb h ALA 257 Ca 0.42 -0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.29 1jrb h ALA 257 Cb 0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.71 1jrb h ALA 257 CO -0.16 0.08 0.37 0.35 0.00 0.00 0.00 179.25 179.89 1jrb h PHE 258 N 0.29 0.64 -0.20 0.00 3.57 -0.19 -1.51 116.94 119.53 1jrb h PHE 258 Ca 0.09 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1jrb h PHE 258 Cb 0.35 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1jrb h PHE 258 CO 0.02 0.08 0.08 0.93 -2.23 0.00 0.00 178.31 177.20 1jrb h GLU 259 N 0.50 0.30 -0.65 1.11 5.08 -0.91 0.19 114.58 120.20 1jrb h GLU 259 Ca 0.47 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.83 1jrb h GLU 259 Cb 0.74 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1jrb h GLU 259 CO -0.42 0.35 0.43 0.45 -1.00 0.00 0.00 179.01 178.82 1jrb h HIS 260 N 0.17 0.67 -0.28 4.33 3.86 -0.69 -2.24 115.15 120.96 1jrb h HIS 260 Ca 0.07 0.02 -0.18 0.00 -1.16 0.00 0.00 60.37 59.12 1jrb h HIS 260 Cb 0.16 -0.22 -0.00 0.00 1.06 0.00 0.00 27.41 28.41 1jrb h HIS 260 CO -0.01 0.36 -0.53 -0.07 0.86 0.00 0.00 177.93 178.54 1jrb h LEU 261 N 0.67 0.91 -1.50 2.43 3.38 -0.72 -2.09 115.31 118.40 1jrb h LEU 261 Ca 0.28 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.80 1jrb h LEU 261 Cb 0.23 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1jrb h LEU 261 CO -0.08 1.26 0.37 0.25 0.09 0.00 0.00 178.44 180.32 1jrb h LEU 262 N 0.64 0.57 -1.31 1.67 5.85 -0.42 0.28 115.31 122.58 1jrb h LEU 262 Ca 0.02 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1jrb h LEU 262 Cb 1.12 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.01 1jrb h LEU 262 CO 0.11 0.40 -0.10 0.00 -0.34 0.00 0.00 178.44 178.51 1jrb n GLY 264 N 0.07 0.18 3.76 0.00 0.00 -0.17 -4.37 105.19 104.67 1jrb n GLY 264 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jrb n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jrb s ALA 265 N -1.11 3.05 -0.19 4.61 0.00 -0.84 -4.63 121.76 122.65 1jrb s ALA 265 Ca 0.00 1.15 -0.03 0.00 0.00 0.00 0.00 51.96 53.08 1jrb s ALA 265 Cb 0.00 -3.47 -0.10 0.00 0.00 0.00 0.00 23.12 19.55 1jrb s ALA 265 CO 0.00 -0.90 -0.20 2.41 0.00 0.00 0.00 175.76 177.07 1jrb n THR 266 N -0.37 1.06 -4.08 0.00 -1.04 0.65 -4.49 114.28 106.01 1jrb n THR 266 Ca 0.07 -0.35 -0.23 0.00 -2.04 0.00 0.00 64.05 61.50 1jrb n THR 266 Cb 0.45 -1.41 -0.06 0.00 -1.82 0.00 0.00 70.33 67.50 1jrb n THR 266 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1jrb s MET 267 N -2.36 2.49 -0.03 -2.82 -1.94 -1.15 -4.76 119.30 108.72 1jrb s MET 267 Ca -0.26 -1.42 0.03 0.00 -1.71 0.00 0.00 55.69 52.33 1jrb s MET 267 Cb 0.08 -2.27 0.00 0.00 2.01 0.00 0.00 34.83 34.65 1jrb s MET 267 CO 0.39 0.19 -0.11 -0.51 -0.01 0.00 0.00 175.02 174.97 1jrb s LEU 268 N -3.84 1.80 0.05 -0.03 1.43 -0.07 -1.41 118.68 116.61 1jrb s LEU 268 Ca 0.37 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 1jrb s LEU 268 Cb -0.04 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.51 1jrb s LEU 268 CO 0.23 0.08 -0.26 -1.10 0.23 0.00 0.00 176.35 175.53 1jrb s GLN 269 N 0.20 1.78 -0.20 1.70 -0.21 0.30 -0.79 119.66 122.45 1jrb s GLN 269 Ca -0.04 -1.13 -0.02 0.00 0.02 0.00 0.00 55.36 54.20 1jrb s GLN 269 Cb -0.09 -1.99 0.00 0.00 1.00 0.00 0.00 33.01 31.93 1jrb s GLN 269 CO 0.01 0.51 -0.10 0.42 -2.12 0.00 0.00 175.29 174.00 1jrb s ILE 270 N -0.85 2.89 0.00 1.08 1.01 -0.46 -4.19 121.20 120.69 1jrb s ILE 270 Ca 0.12 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1jrb s ILE 270 Cb -0.10 -2.28 0.00 0.00 0.01 0.00 0.00 42.46 40.09 1jrb s ILE 270 CO 0.03 0.47 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1jrb n GLY 271 N 4.63 0.02 0.32 6.18 0.00 -1.26 -1.27 105.19 113.81 1jrb n GLY 271 Ca -0.19 0.00 0.13 0.00 0.00 0.00 0.00 46.02 45.95 1jrb n GLY 271 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jrb h THR 272 N 0.00 0.14 0.00 2.61 2.02 -1.95 0.75 112.91 116.48 1jrb h THR 272 Ca 0.00 -0.02 -0.11 0.00 0.77 0.00 0.00 66.41 67.05 1jrb h THR 272 Cb 0.00 0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.46 1jrb h THR 272 CO 0.00 0.01 -0.52 0.00 0.37 0.00 0.00 175.52 175.38 1jrb h ALA 273 N 1.89 1.04 -0.04 6.16 0.00 -1.88 -2.27 119.26 124.16 1jrb h ALA 273 Ca 0.56 -0.48 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 1jrb h ALA 273 Cb 1.12 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 1jrb h ALA 273 CO -0.82 0.65 -0.84 1.25 0.00 0.00 0.00 179.25 179.49 1jrb h LEU 274 N 0.00 0.49 -0.49 0.00 5.85 -1.12 -1.05 115.31 118.99 1jrb h LEU 274 Ca -0.01 -0.36 0.08 0.00 0.84 0.00 0.00 57.88 58.43 1jrb h LEU 274 Cb 0.98 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.80 1jrb h LEU 274 CO 0.07 1.13 0.13 -0.74 -0.34 0.00 0.00 178.44 178.69 1jrb h HIS 275 N 0.24 0.22 -0.07 1.25 2.76 -0.91 0.52 115.15 119.16 1jrb h HIS 275 Ca -0.05 0.03 -0.24 0.00 -2.20 0.00 0.00 60.37 57.91 1jrb h HIS 275 Cb 1.45 -0.02 0.01 0.00 1.55 0.00 0.00 27.41 30.40 1jrb h HIS 275 CO 0.05 0.04 -0.90 0.87 -1.30 0.00 0.00 177.93 176.69 1jrb h LYS 276 N 0.28 0.67 0.00 5.26 1.57 -1.27 -3.38 116.57 119.70 1jrb h LYS 276 Ca 0.24 -0.63 -0.19 0.00 -1.87 0.00 0.00 60.65 58.21 1jrb h LYS 276 Cb 0.30 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1jrb h LYS 276 CO -0.29 1.23 -1.98 -1.91 -0.57 0.00 0.00 179.45 175.94 1jrb n GLU 277 N -3.87 1.09 0.00 3.15 2.13 -0.41 -5.10 120.64 117.63 1jrb n GLU 277 Ca -0.08 -0.06 0.00 0.00 0.66 0.00 0.00 57.16 57.68 1jrb n GLU 277 Cb 0.81 -1.41 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1jrb n GLU 277 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jrb n GLY 278 N 1.85 -0.49 0.00 8.31 0.00 0.18 -4.49 105.19 110.55 1jrb n GLY 278 Ca -0.18 -1.74 0.05 0.00 0.00 0.00 0.00 46.02 44.16 1jrb n GLY 278 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jrb n PRO 279 N -0.51 0.03 0.24 1.61 -0.02 -1.26 -1.10 135.00 133.98 1jrb n PRO 279 Ca 0.00 0.30 0.16 0.00 -2.02 0.00 0.00 63.50 61.94 1jrb n PRO 279 Cb 0.00 -1.50 0.84 0.00 -0.02 0.00 0.00 33.50 32.82 1jrb n PRO 279 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1jrb h ALA 280 N 2.37 1.00 -0.85 3.55 0.00 -1.97 -2.50 119.26 120.86 1jrb h ALA 280 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 54.91 55.04 1jrb h ALA 280 Cb 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.88 1jrb h ALA 280 CO 0.00 0.00 0.55 0.97 0.00 0.00 0.00 179.25 180.77 1jrb h ILE 281 N 0.00 0.87 -0.51 0.00 2.10 -1.37 -2.64 117.51 115.96 1jrb h ILE 281 Ca 0.00 -0.24 -0.10 0.00 1.08 0.00 0.00 64.86 65.60 1jrb h ILE 281 Cb 0.04 0.12 -0.02 0.00 -1.09 0.00 0.00 36.82 35.87 1jrb h ILE 281 CO 0.00 0.13 -0.10 -0.26 -1.08 0.00 0.00 178.15 176.84 1jrb h PHE 282 N 0.69 1.03 -0.35 2.19 0.04 -1.71 -0.62 116.94 118.22 1jrb h PHE 282 Ca 0.42 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.91 1jrb h PHE 282 Cb 0.63 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.51 1jrb h PHE 282 CO -0.00 0.97 -0.08 0.22 -0.60 0.00 0.00 178.31 178.82 1jrb h ASP 283 N 0.84 0.68 -0.01 2.17 3.58 -1.68 -1.38 116.42 120.62 1jrb h ASP 283 Ca 0.14 -0.36 0.01 0.00 0.42 0.00 0.00 57.03 57.24 1jrb h ASP 283 Cb 0.63 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.49 1jrb h ASP 283 CO 0.04 0.88 -0.03 -0.09 -2.88 0.00 0.00 179.24 177.16 1jrb h ARG 284 N 0.47 -0.05 -0.01 0.28 2.43 -1.18 -2.61 114.38 113.70 1jrb h ARG 284 Ca 0.09 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.09 1jrb h ARG 284 Cb 0.58 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.13 1jrb h ARG 284 CO 0.03 -0.04 -0.77 0.97 -1.51 0.00 0.00 179.97 178.66 1jrb h ILE 285 N -0.05 1.48 -0.37 1.20 2.10 -1.07 -0.54 117.51 120.27 1jrb h ILE 285 Ca 0.02 -2.45 -0.01 0.00 1.08 0.00 0.00 64.86 63.49 1jrb h ILE 285 Cb 0.08 2.33 -0.02 0.00 -1.09 0.00 0.00 36.82 38.12 1jrb h ILE 285 CO -0.04 0.71 0.17 0.40 -1.08 0.00 0.00 178.15 178.31 1jrb h ILE 286 N 0.08 1.17 -0.65 2.19 2.04 -1.24 -1.00 117.51 120.10 1jrb h ILE 286 Ca -0.02 -0.49 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1jrb h ILE 286 Cb 1.35 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1jrb h ILE 286 CO 0.11 0.18 0.28 0.11 0.00 0.00 0.00 178.15 178.83 1jrb h LYS 287 N 0.45 0.96 -0.49 2.37 1.57 -1.16 0.38 116.57 120.66 1jrb h LYS 287 Ca 0.13 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 1jrb h LYS 287 Cb 0.13 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 1jrb h LYS 287 CO -0.02 0.79 0.29 0.93 -0.57 0.00 0.00 179.45 180.88 1jrb h GLU 288 N 0.91 0.57 -0.37 3.15 5.08 -0.87 -0.44 114.58 122.62 1jrb h GLU 288 Ca 0.22 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.51 1jrb h GLU 288 Cb 0.17 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1jrb h GLU 288 CO -0.02 0.38 0.08 1.25 -1.00 0.00 0.00 179.01 179.70 1jrb h LEU 289 N 0.59 0.56 -1.25 1.33 5.85 -0.87 -2.30 115.31 119.22 1jrb h LEU 289 Ca 0.20 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.68 1jrb h LEU 289 Cb 0.01 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1jrb h LEU 289 CO -0.09 0.66 0.51 -0.33 -0.34 0.00 0.00 178.44 178.85 1jrb h GLU 290 N 0.44 1.01 -0.53 1.25 5.08 -0.67 0.05 114.58 121.21 1jrb h GLU 290 Ca 0.11 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.32 1jrb h GLU 290 Cb 0.32 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1jrb h GLU 290 CO 0.00 0.67 -0.04 1.49 -1.00 0.00 0.00 179.01 180.13 1jrb h GLU 291 N 1.04 0.94 0.00 2.33 4.57 -0.87 0.23 114.58 122.82 1jrb h GLU 291 Ca 0.28 -0.30 -0.00 0.00 -1.18 0.00 0.00 59.36 58.17 1jrb h GLU 291 Cb -0.12 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.38 1jrb h GLU 291 CO -0.06 0.95 -0.00 0.82 -1.18 0.00 0.00 179.01 179.54 1jrb h ILE 292 N 0.85 1.07 -0.95 2.32 2.04 -0.83 -1.36 117.51 120.66 1jrb h ILE 292 Ca 0.15 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 65.80 1jrb h ILE 292 Cb 0.56 1.22 -0.05 0.00 -0.74 0.00 0.00 36.82 37.81 1jrb h ILE 292 CO 0.03 0.06 0.63 0.24 0.00 0.00 0.00 178.15 179.11 1jrb h MET 293 N -0.10 1.23 -0.72 2.37 2.86 -0.69 -2.33 114.93 117.56 1jrb h MET 293 Ca -0.00 -0.07 -0.05 0.00 -2.06 0.00 0.00 59.70 57.52 1jrb h MET 293 Cb 0.10 -0.28 -0.03 0.00 0.06 0.00 0.00 31.60 31.45 1jrb h MET 293 CO 0.00 0.82 0.26 -0.91 1.06 0.00 0.00 176.91 178.13 1jrb h ASN 294 N 1.27 1.01 0.01 1.22 2.35 -0.17 0.49 115.58 121.76 1jrb h ASN 294 Ca 0.36 -0.19 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1jrb h ASN 294 Cb -0.12 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 37.98 1jrb h ASN 294 CO -0.09 0.93 -0.06 1.56 -1.65 0.00 0.00 177.43 178.12 1jrb h GLN 295 N 1.04 0.14 -0.01 0.81 1.08 -0.93 -1.62 115.11 115.61 1jrb h GLN 295 Ca 0.23 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.41 1jrb h GLN 295 Cb 0.25 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 1jrb h GLN 295 CO -0.01 0.22 -0.07 1.63 -0.95 0.00 0.00 178.83 179.65 1jrb n LYS 296 N -4.38 1.48 -1.02 1.46 5.02 -0.66 -4.94 118.16 115.11 1jrb n LYS 296 Ca -0.01 -0.88 -0.01 0.00 -2.02 0.00 0.00 58.31 55.39 1jrb n LYS 296 Cb 0.19 -1.48 -0.00 0.00 -0.02 0.00 0.00 35.03 33.71 1jrb n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jrb n GLY 297 N 1.22 0.44 3.82 0.72 0.00 -0.61 -5.03 105.19 105.75 1jrb n GLY 297 Ca 0.17 -0.92 -0.37 0.00 0.00 0.00 0.00 46.02 44.90 1jrb n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jrb s TYR 298 N -2.02 3.59 -0.26 1.61 2.02 0.08 -4.95 117.35 117.42 1jrb s TYR 298 Ca 0.00 0.69 0.08 0.00 -0.37 0.00 0.00 57.07 57.47 1jrb s TYR 298 Cb 0.00 -2.18 -0.10 0.00 -0.40 0.00 0.00 41.96 39.29 1jrb s TYR 298 CO 0.00 0.54 0.29 1.04 -1.57 0.00 0.00 175.55 175.85 1jrb n GLN 299 N 2.46 3.20 -3.96 -0.62 6.02 -1.26 -4.20 117.38 119.02 1jrb n GLN 299 Ca -0.16 -0.02 -0.08 0.00 -0.01 0.00 0.00 57.00 56.73 1jrb n GLN 299 Cb 0.53 -0.96 -0.09 0.00 1.02 0.00 0.00 30.24 30.74 1jrb n GLN 299 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1jrb s SER 300 N -2.08 0.28 0.40 1.08 1.04 -1.26 -4.49 113.70 108.67 1jrb s SER 300 Ca 0.01 -0.79 0.14 0.00 0.48 0.00 0.00 55.95 55.80 1jrb s SER 300 Cb 0.06 0.27 0.85 0.00 0.10 0.00 0.00 66.02 67.30 1jrb s SER 300 CO 0.32 -0.66 1.89 0.40 0.98 0.00 0.00 173.24 176.18 1jrb h ILE 301 N 2.99 1.17 0.00 -1.02 2.04 -1.86 -0.70 117.51 120.14 1jrb h ILE 301 Ca -0.34 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.49 1jrb h ILE 301 Cb 1.17 1.56 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1jrb h ILE 301 CO 0.60 0.29 0.05 0.00 0.00 0.00 0.00 178.15 179.09 1jrb h ALA 302 N 1.70 1.04 0.00 1.87 0.00 -1.92 0.41 119.26 122.36 1jrb h ALA 302 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1jrb h ALA 302 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1jrb h ALA 302 CO 0.04 -0.04 -0.06 -0.44 0.00 0.00 0.00 179.25 178.74 1jrb h ASP 303 N 0.00 0.00 0.00 0.00 3.32 -1.54 -3.34 116.42 114.86 1jrb h ASP 303 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jrb h ASP 303 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1jrb h ASP 303 CO 0.00 0.06 0.00 2.22 -1.72 0.00 0.00 179.24 179.80 1jrb n PHE 304 N -3.35 0.00 -1.69 4.55 -1.74 -0.71 -5.02 117.46 109.50 1jrb n PHE 304 Ca -0.01 0.00 -0.52 0.00 -0.56 0.00 0.00 57.45 56.36 1jrb n PHE 304 Cb 0.22 0.01 -0.06 0.00 1.52 0.00 0.00 39.48 41.18 1jrb n PHE 304 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1jrb n HIS 305 N 0.00 2.21 -0.97 2.97 -0.00 0.05 -1.48 115.22 118.01 1jrb n HIS 305 Ca 0.00 0.20 0.00 0.00 0.46 0.00 0.00 57.72 58.38 1jrb n HIS 305 Cb 0.22 -2.59 0.00 0.00 -0.12 0.00 0.00 29.99 27.50 1jrb n HIS 305 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jrb n GLY 306 N 4.41 0.77 1.85 1.57 0.00 -0.09 -4.91 105.19 108.78 1jrb n GLY 306 Ca 0.25 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.27 1jrb n GLY 306 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jrb n LYS 307 N -2.21 4.13 -1.61 1.61 5.02 -0.55 -4.77 118.16 119.79 1jrb n LYS 307 Ca 0.00 -3.11 -0.54 0.00 -2.02 0.00 0.00 58.31 52.64 1jrb n LYS 307 Cb 0.01 -2.20 -0.06 0.00 -0.02 0.00 0.00 35.03 32.76 1jrb n LYS 307 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1jrb n LEU 308 N 0.12 1.62 -4.76 -0.35 7.94 -0.96 -4.94 117.00 115.67 1jrb n LEU 308 Ca 0.34 1.12 -0.37 0.00 -1.11 0.00 0.00 56.01 55.99 1jrb n LEU 308 Cb 1.27 -1.15 -0.07 0.00 0.53 0.00 0.00 43.42 43.99 1jrb n LEU 308 CO 0.36 -1.01 0.01 -0.54 -1.11 0.00 0.00 177.39 175.10 1jrb s LYS 309 N 1.00 4.14 0.75 1.96 1.02 -1.26 -5.05 119.74 122.30 1jrb s LYS 309 Ca 0.88 0.16 -0.11 0.00 0.02 0.00 0.00 55.97 56.92 1jrb s LYS 309 Cb -1.01 -3.37 0.04 0.00 -0.52 0.00 0.00 37.83 32.97 1jrb s LYS 309 CO 0.51 0.35 1.09 -1.12 -0.92 0.00 0.00 175.35 175.26 1jrb s SER 310 N 0.11 4.91 0.00 2.83 0.01 -1.26 -5.24 113.70 115.06 1jrb s SER 310 Ca 0.19 1.34 0.27 0.00 1.31 0.00 0.00 55.95 59.05 1jrb s SER 310 Cb -0.14 -2.12 0.75 0.00 0.21 0.00 0.00 66.02 64.72 1jrb s SER 310 CO 0.06 -1.71 1.58 0.18 0.41 0.00 0.00 173.24 173.76