#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jub n LEU 2 N 0.00 3.10 -4.59 4.03 4.77 -1.26 -3.56 117.00 119.49 1jub n LEU 2 Ca 0.00 -1.42 -0.51 0.00 -0.03 0.00 0.00 56.01 54.05 1jub n LEU 2 Cb 0.00 -0.29 -0.05 0.00 -2.33 0.00 0.00 43.42 40.74 1jub n LEU 2 CO 0.00 0.71 0.88 -0.46 -1.33 0.00 0.00 177.39 177.20 1jub n ASN 3 N 1.22 1.67 -4.07 -1.43 0.23 -1.10 -3.83 115.26 107.96 1jub n ASN 3 Ca 0.19 1.12 -0.19 0.00 -0.53 0.00 0.00 54.58 55.17 1jub n ASN 3 Cb 0.52 -1.21 -0.14 0.00 -2.08 0.00 0.00 39.78 36.87 1jub n ASN 3 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 1jub s THR 4 N 0.38 0.88 -0.18 5.53 2.01 -0.15 -4.77 115.64 119.33 1jub s THR 4 Ca 0.82 -0.65 -0.03 0.00 0.31 0.00 0.00 61.69 62.14 1jub s THR 4 Cb -0.92 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 70.81 1jub s THR 4 CO 0.47 0.12 -0.06 -0.89 -0.69 0.00 0.00 174.62 173.58 1jub s THR 5 N -0.49 3.44 -0.13 -0.82 2.01 -1.26 -0.47 115.64 117.92 1jub s THR 5 Ca 0.02 -0.49 -0.10 0.00 0.31 0.00 0.00 61.69 61.43 1jub s THR 5 Cb -0.05 -2.52 0.04 0.00 0.01 0.00 0.00 72.50 69.97 1jub s THR 5 CO 0.00 0.47 0.33 0.12 -0.69 0.00 0.00 174.62 174.85 1jub s PHE 6 N 0.91 -0.41 -1.46 4.92 5.36 -0.06 -4.87 117.98 122.36 1jub s PHE 6 Ca -0.01 0.96 -0.11 0.00 -0.96 0.00 0.00 56.93 56.81 1jub s PHE 6 Cb -0.15 0.14 0.06 0.00 -0.34 0.00 0.00 43.02 42.73 1jub s PHE 6 CO 0.01 -0.23 0.81 0.00 -1.46 0.00 0.00 175.22 174.35 1jub n ALA 7 N 3.50 -1.17 -1.45 11.12 0.00 -1.26 -0.46 120.51 130.79 1jub n ALA 7 Ca -0.18 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.31 1jub n ALA 7 Cb 0.56 -4.06 -0.07 0.00 0.00 0.00 0.00 19.45 15.89 1jub n ALA 7 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1jub n ASN 8 N -2.65 -5.11 -4.44 0.00 3.02 -1.26 -4.98 115.26 99.84 1jub n ASN 8 Ca -0.00 0.38 -0.24 0.00 -0.03 0.00 0.00 54.58 54.69 1jub n ASN 8 Cb 0.55 -3.97 -0.10 0.00 -0.61 0.00 0.00 39.78 35.64 1jub n ASN 8 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jub s ALA 9 N -2.49 2.56 -0.15 5.41 0.00 0.39 -5.14 121.76 122.34 1jub s ALA 9 Ca 0.00 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.12 1jub s ALA 9 Cb 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.84 1jub s ALA 9 CO 0.00 0.28 0.05 0.15 0.00 0.00 0.00 175.76 176.24 1jub s LYS 10 N -3.31 3.68 0.04 0.00 -0.14 -1.26 -0.88 119.74 117.87 1jub s LYS 10 Ca 0.26 -0.34 0.06 0.00 -1.36 0.00 0.00 55.97 54.59 1jub s LYS 10 Cb -0.05 -3.11 -0.02 0.00 -1.68 0.00 0.00 37.83 32.97 1jub s LYS 10 CO 0.12 0.43 -0.16 -0.06 -0.76 0.00 0.00 175.35 174.93 1jub s PHE 11 N -0.09 1.40 0.36 3.18 0.08 0.38 -3.89 117.98 119.40 1jub s PHE 11 Ca 0.06 -0.36 0.08 0.00 0.12 0.00 0.00 56.93 56.84 1jub s PHE 11 Cb -0.12 -0.84 0.68 0.00 -0.57 0.00 0.00 43.02 42.17 1jub s PHE 11 CO 0.01 0.05 1.86 0.00 -0.10 0.00 0.00 175.22 177.04 1jub h ALA 12 N 4.93 1.39 -2.91 5.36 0.00 -1.85 -0.38 119.26 125.80 1jub h ALA 12 Ca -0.39 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.26 1jub h ALA 12 Cb 1.17 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 1jub h ALA 12 CO 0.44 0.42 0.09 0.54 0.00 0.00 0.00 179.25 180.74 1jub s ASN 13 N -6.86 -0.29 0.00 0.00 2.20 -1.25 -2.70 114.94 106.04 1jub s ASN 13 Ca -0.06 -0.47 0.30 0.00 -0.94 0.00 0.00 52.86 51.69 1jub s ASN 13 Cb 0.15 0.62 1.36 0.00 -2.00 0.00 0.00 41.25 41.37 1jub s ASN 13 CO 0.75 -1.11 1.98 -0.81 -2.94 0.00 0.00 177.10 174.96 1jub n PRO 14 N -0.38 0.20 -2.53 3.55 -0.04 -1.25 -4.15 135.00 130.40 1jub n PRO 14 Ca -0.09 -0.00 -0.41 0.00 -0.04 0.00 0.00 63.50 62.96 1jub n PRO 14 Cb 0.62 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.54 1jub n PRO 14 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1jub s PHE 15 N -2.80 3.63 0.21 0.54 0.08 -1.26 -0.29 117.98 118.09 1jub s PHE 15 Ca 0.21 1.65 -0.07 0.00 0.12 0.00 0.00 56.93 58.84 1jub s PHE 15 Cb 0.20 -3.25 -0.02 0.00 -0.57 0.00 0.00 43.02 39.38 1jub s PHE 15 CO 0.50 -0.49 0.30 -1.64 -0.10 0.00 0.00 175.22 173.79 1jub s MET 16 N -0.70 1.34 0.55 0.44 -1.94 0.27 -0.03 119.30 119.23 1jub s MET 16 Ca 0.47 -1.41 -0.08 0.00 -1.71 0.00 0.00 55.69 52.96 1jub s MET 16 Cb -0.30 0.37 -0.04 0.00 2.01 0.00 0.00 34.83 36.88 1jub s MET 16 CO 0.36 -0.50 0.91 0.54 -0.01 0.00 0.00 175.02 176.32 1jub s ASN 17 N -3.07 6.22 0.08 3.03 4.22 -1.26 -1.19 114.94 122.96 1jub s ASN 17 Ca 0.29 1.16 -0.14 0.00 -2.14 0.00 0.00 52.86 52.03 1jub s ASN 17 Cb 0.03 -2.34 -0.06 0.00 1.28 0.00 0.00 41.25 40.16 1jub s ASN 17 CO 0.09 -0.74 0.47 0.00 -2.04 0.00 0.00 177.10 174.88 1jub s ALA 18 N -2.97 3.65 0.44 3.54 0.00 -0.31 -4.43 121.76 121.67 1jub s ALA 18 Ca 0.51 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 52.03 1jub s ALA 18 Cb -0.11 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 20.49 1jub s ALA 18 CO 0.49 0.48 1.25 0.45 0.00 0.00 0.00 175.76 178.44 1jub n SER 19 N 1.23 2.42 0.00 0.00 2.88 -1.26 -1.90 113.62 116.99 1jub n SER 19 Ca -0.09 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 1jub n SER 19 Cb 0.52 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.49 1jub n SER 19 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1jub n GLY 20 N 0.85 3.29 3.30 0.46 0.00 -1.26 -4.92 105.19 106.91 1jub n GLY 20 Ca 0.07 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.75 1jub n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1jub s VAL 21 N -2.94 3.02 -1.47 1.61 1.01 -0.80 -4.71 120.40 116.13 1jub s VAL 21 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 1jub s VAL 21 Cb 0.00 -2.32 0.06 0.00 0.00 0.00 0.00 36.38 34.12 1jub s VAL 21 CO 0.00 0.48 0.92 1.57 0.00 0.00 0.00 175.10 178.07 1jub n HIS 22 N 4.25 -2.24 -2.14 5.22 -0.00 -1.26 -4.58 115.22 114.47 1jub n HIS 22 Ca -0.19 0.90 -0.01 0.00 -0.00 0.00 0.00 57.72 58.42 1jub n HIS 22 Cb 0.51 -4.14 -0.02 0.00 -0.00 0.00 0.00 29.99 26.35 1jub n HIS 22 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1jub h MET 24 N 0.28 0.28 -5.97 0.00 4.05 -1.90 -2.50 114.93 109.17 1jub h MET 24 Ca -0.26 -0.33 -0.56 0.00 -0.28 0.00 0.00 59.70 58.27 1jub h MET 24 Cb 1.46 0.10 -0.09 0.00 -0.80 0.00 0.00 31.60 32.28 1jub h MET 24 CO -0.07 1.05 -0.52 0.95 0.23 0.00 0.00 176.91 178.55 1jub s THR 25 N -2.98 2.52 0.32 -0.77 -4.23 -1.26 -4.60 115.64 104.63 1jub s THR 25 Ca -0.15 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.63 1jub s THR 25 Cb 0.02 -2.96 0.27 0.00 1.34 0.00 0.00 72.50 71.16 1jub s THR 25 CO 0.79 -0.07 1.97 0.40 -0.54 0.00 0.00 174.62 177.16 1jub h ILE 26 N 1.51 1.16 -0.82 2.99 2.04 -1.99 -0.94 117.51 121.46 1jub h ILE 26 Ca -0.43 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.05 1jub h ILE 26 Cb 1.25 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 37.36 1jub h ILE 26 CO 0.68 0.18 0.36 -0.08 0.00 0.00 0.00 178.15 179.30 1jub h GLU 27 N 1.01 1.20 -0.09 2.37 4.81 -1.99 1.00 114.58 122.89 1jub h GLU 27 Ca 0.30 -0.20 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1jub h GLU 27 Cb -0.04 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.13 1jub h GLU 27 CO -0.08 0.95 0.04 -0.44 -0.73 0.00 0.00 179.01 178.75 1jub h ASP 28 N 1.18 0.13 -0.92 1.04 3.32 -1.60 -1.91 116.42 117.65 1jub h ASP 28 Ca 0.28 -0.16 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1jub h ASP 28 Cb 0.16 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.64 1jub h ASP 28 CO -0.03 0.25 0.57 -0.07 -1.72 0.00 0.00 179.24 178.24 1jub h LEU 29 N -0.00 1.10 -1.21 1.55 3.38 -0.85 -1.52 115.31 117.76 1jub h LEU 29 Ca 0.03 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 1jub h LEU 29 Cb 0.16 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1jub h LEU 29 CO -0.00 0.84 -0.22 -0.33 0.09 0.00 0.00 178.44 178.81 1jub h GLU 30 N 1.27 0.27 -0.20 1.13 4.39 -0.65 -0.13 114.58 120.67 1jub h GLU 30 Ca 0.33 -0.08 -0.14 0.00 0.34 0.00 0.00 59.36 59.81 1jub h GLU 30 Cb -0.07 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 1jub h GLU 30 CO -0.06 0.49 -0.45 0.93 -1.16 0.00 0.00 179.01 178.75 1jub h GLU 31 N 0.25 0.50 -0.26 2.33 5.08 -0.50 -0.78 114.58 121.19 1jub h GLU 31 Ca 0.04 -0.27 -0.15 0.00 -1.00 0.00 0.00 59.36 57.99 1jub h GLU 31 Cb 0.53 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.79 1jub h GLU 31 CO 0.04 0.85 -0.45 -0.07 -1.00 0.00 0.00 179.01 178.38 1jub h LEU 32 N 0.40 0.73 -0.83 1.33 3.38 -0.66 -1.73 115.31 117.93 1jub h LEU 32 Ca 0.03 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1jub h LEU 32 Cb 0.95 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.46 1jub h LEU 32 CO 0.08 1.07 0.18 0.50 0.09 0.00 0.00 178.44 180.36 1jub h LYS 33 N 0.54 1.05 0.00 1.13 3.64 -0.73 -2.44 116.57 119.76 1jub h LYS 33 Ca 0.04 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.17 1jub h LYS 33 Cb 0.99 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1jub h LYS 33 CO 0.09 0.92 -0.06 0.00 -2.27 0.00 0.00 179.45 178.13 1jub h ALA 34 N 1.19 0.99 -3.67 5.00 0.00 -0.94 -3.46 119.26 118.37 1jub h ALA 34 Ca 0.22 -0.05 -0.42 0.00 0.00 0.00 0.00 54.91 54.66 1jub h ALA 34 Cb 0.33 -0.01 0.18 0.00 0.00 0.00 0.00 17.79 18.29 1jub h ALA 34 CO -0.00 0.07 0.30 -1.13 0.00 0.00 0.00 179.25 178.49 1jub n SER 35 N -3.15 -0.80 -0.15 0.00 3.41 -0.67 -4.95 113.62 107.32 1jub n SER 35 Ca 0.02 -1.35 0.14 0.00 -0.26 0.00 0.00 58.87 57.42 1jub n SER 35 Cb 0.41 -1.01 0.75 0.00 -0.26 0.00 0.00 64.21 64.10 1jub n SER 35 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jub n GLN 36 N -4.23 1.21 -1.66 4.33 1.13 -1.26 -4.91 117.38 111.99 1jub n GLN 36 Ca 0.16 -0.30 -0.45 0.00 -1.94 0.00 0.00 57.00 54.47 1jub n GLN 36 Cb 0.58 -1.46 -0.02 0.00 0.11 0.00 0.00 30.24 29.45 1jub n GLN 36 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1jub n ALA 37 N -0.60 0.85 0.18 -1.58 0.00 -1.26 -4.87 120.51 113.23 1jub n ALA 37 Ca 0.21 0.40 0.03 0.00 0.00 0.00 0.00 53.44 54.08 1jub n ALA 37 Cb 0.18 -2.22 0.35 0.00 0.00 0.00 0.00 19.45 17.76 1jub n ALA 37 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1jub h GLY 38 N 3.50 0.00 -2.15 0.00 0.00 -0.60 -3.47 103.07 100.35 1jub h GLY 38 Ca -0.45 0.00 0.08 0.00 0.00 0.00 0.00 47.33 46.97 1jub h GLY 38 CO 0.70 0.00 0.28 0.00 0.00 0.00 0.00 176.54 177.52 1jub s ALA 39 N -4.01 -1.33 0.11 3.60 0.00 -0.95 -4.50 121.76 114.68 1jub s ALA 39 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 51.96 51.71 1jub s ALA 39 Cb 0.13 0.81 -0.01 0.00 0.00 0.00 0.00 23.12 24.05 1jub s ALA 39 CO 0.71 -1.02 0.19 1.52 0.00 0.00 0.00 175.76 177.16 1jub s TYR 40 N -3.78 0.31 0.03 0.00 1.13 -1.26 -3.99 117.35 109.79 1jub s TYR 40 Ca 0.10 -0.73 0.04 0.00 -1.41 0.00 0.00 57.07 55.07 1jub s TYR 40 Cb -0.05 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.67 1jub s TYR 40 CO 0.05 -0.58 -0.12 -1.50 -2.51 0.00 0.00 175.55 170.88 1jub s ILE 41 N -3.91 0.96 0.68 -3.49 2.07 -1.26 -1.60 121.20 114.65 1jub s ILE 41 Ca 0.10 -0.90 -0.11 0.00 -1.41 0.00 0.00 60.65 58.33 1jub s ILE 41 Cb 0.05 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.76 1jub s ILE 41 CO -0.07 -0.02 1.06 0.42 -1.91 0.00 0.00 174.94 174.42 1jub s THR 42 N -0.81 4.10 0.33 4.00 -4.23 -0.62 -4.76 115.64 113.65 1jub s THR 42 Ca 0.00 0.68 -0.29 0.00 -1.18 0.00 0.00 61.69 60.91 1jub s THR 42 Cb -0.07 -3.51 -0.11 0.00 1.34 0.00 0.00 72.50 70.15 1jub s THR 42 CO 0.01 -0.89 1.39 -0.75 -0.54 0.00 0.00 174.62 173.84 1jub s LYS 43 N -5.12 4.26 0.07 3.99 2.47 -0.94 -4.00 119.74 120.47 1jub s LYS 43 Ca 0.57 2.35 -0.35 0.00 -1.56 0.00 0.00 55.97 56.98 1jub s LYS 43 Cb -0.13 -3.04 -0.14 0.00 -1.46 0.00 0.00 37.83 33.06 1jub s LYS 43 CO 0.54 -0.34 1.59 0.43 0.16 0.00 0.00 175.35 177.73 1jub n SER 44 N 0.93 2.78 -4.67 1.43 7.64 -1.26 -4.60 113.62 115.86 1jub n SER 44 Ca 0.01 1.07 -0.23 0.00 1.01 0.00 0.00 58.87 60.74 1jub n SER 44 Cb 0.41 -1.34 -0.07 0.00 -1.01 0.00 0.00 64.21 62.19 1jub n SER 44 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1jub s SER 45 N 1.54 4.62 0.33 6.43 1.04 -0.78 -4.75 113.70 122.13 1jub s SER 45 Ca 0.84 -0.65 0.08 0.00 0.48 0.00 0.00 55.95 56.69 1jub s SER 45 Cb -0.77 -0.85 -0.06 0.00 0.10 0.00 0.00 66.02 64.43 1jub s SER 45 CO 0.44 -0.06 -0.06 0.42 0.98 0.00 0.00 173.24 174.96 1jub s THR 46 N -2.34 1.96 0.23 2.02 -4.23 -1.26 -1.23 115.64 110.80 1jub s THR 46 Ca 0.33 -2.15 -0.06 0.00 -1.18 0.00 0.00 61.69 58.63 1jub s THR 46 Cb -0.06 -2.63 0.19 0.00 1.34 0.00 0.00 72.50 71.35 1jub s THR 46 CO 0.21 -0.20 1.82 -0.07 -0.54 0.00 0.00 174.62 175.83 1jub h LEU 47 N 2.08 0.66 -9.81 4.79 3.38 -1.93 0.99 115.31 115.47 1jub h LEU 47 Ca -0.41 0.04 -0.57 0.00 0.09 0.00 0.00 57.88 57.03 1jub h LEU 47 Cb 1.24 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.84 1jub h LEU 47 CO 0.70 0.40 -0.55 -1.61 0.09 0.00 0.00 178.44 177.47 1jub s GLU 48 N -6.06 2.97 0.50 1.13 2.02 -1.26 -3.77 118.70 114.23 1jub s GLU 48 Ca -0.13 -0.85 -0.22 0.00 0.02 0.00 0.00 54.97 53.80 1jub s GLU 48 Cb 0.18 -2.68 -0.06 0.00 0.10 0.00 0.00 34.13 31.67 1jub s GLU 48 CO 0.78 0.48 1.26 0.21 0.02 0.00 0.00 175.26 178.01 1jub s LYS 49 N -3.15 3.45 -0.02 1.61 2.20 -1.26 -4.35 119.74 118.21 1jub s LYS 49 Ca 0.31 1.99 0.03 0.00 -0.36 0.00 0.00 55.97 57.95 1jub s LYS 49 Cb -0.10 -2.32 -0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1jub s LYS 49 CO 0.24 -0.87 -0.11 1.03 -0.36 0.00 0.00 175.35 175.29 1jub s ARG 50 N -2.81 1.00 0.24 4.03 0.52 -0.06 -4.91 118.95 116.96 1jub s ARG 50 Ca 0.68 -0.37 0.14 0.00 -0.52 0.00 0.00 55.73 55.66 1jub s ARG 50 Cb -0.34 -0.94 0.02 0.00 0.52 0.00 0.00 34.95 34.20 1jub s ARG 50 CO 0.41 0.19 1.36 1.49 0.02 0.00 0.00 175.30 178.77 1jub h GLU 51 N 6.12 0.00 0.00 3.54 4.81 -1.87 -2.08 114.58 125.10 1jub h GLU 51 Ca -0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 1jub h GLU 51 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1jub h GLU 51 CO 0.49 0.53 0.00 0.41 -0.73 0.00 0.00 179.01 179.71 1jub n GLY 52 N 1.26 -1.88 3.90 1.92 0.00 -1.26 -4.66 105.19 104.46 1jub n GLY 52 Ca 0.01 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 43.99 1jub n GLY 52 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jub s ASN 53 N -4.00 5.34 0.67 1.61 0.01 0.48 -4.94 114.94 114.10 1jub s ASN 53 Ca 0.00 0.96 -0.16 0.00 -0.71 0.00 0.00 52.86 52.96 1jub s ASN 53 Cb 0.00 -1.76 0.01 0.00 0.41 0.00 0.00 41.25 39.90 1jub s ASN 53 CO 0.00 -1.36 1.16 -2.84 -1.51 0.00 0.00 177.10 172.55 1jub s PRO 54 N -5.30 2.60 0.25 -0.60 0.02 -1.26 -4.92 135.00 125.78 1jub s PRO 54 Ca 0.58 1.60 -0.04 0.00 0.02 0.00 0.00 61.00 63.16 1jub s PRO 54 Cb -0.11 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.45 1jub s PRO 54 CO 0.50 -1.45 0.49 -0.51 -0.33 0.00 0.00 177.00 175.70 1jub s LEU 55 N -4.81 4.13 0.31 -5.54 1.02 -1.26 -4.01 118.68 108.52 1jub s LEU 55 Ca 0.71 0.63 -0.28 0.00 0.02 0.00 0.00 54.13 55.21 1jub s LEU 55 Cb -0.25 -3.42 -0.09 0.00 0.02 0.00 0.00 46.19 42.44 1jub s LEU 55 CO 0.41 -0.12 1.12 -2.16 0.02 0.00 0.00 176.35 175.61 1jub s PRO 56 N -3.34 4.52 0.00 1.29 0.04 -1.26 -4.71 135.00 131.55 1jub s PRO 56 Ca 0.42 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.27 1jub s PRO 56 Cb -0.11 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1jub s PRO 56 CO 0.28 0.10 0.34 2.89 0.04 0.00 0.00 177.00 180.65 1jub n ARG 57 N 0.94 -0.23 -3.75 4.56 1.85 -1.26 -0.26 116.66 118.52 1jub n ARG 57 Ca -0.00 -0.37 -0.13 0.00 -1.00 0.00 0.00 57.85 56.35 1jub n ARG 57 Cb 0.45 -0.76 -0.13 0.00 -1.05 0.00 0.00 32.46 30.97 1jub n ARG 57 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 1jub s TYR 58 N -0.08 -0.30 -0.02 2.89 6.14 -1.26 -0.58 117.35 124.14 1jub s TYR 58 Ca 0.00 0.72 0.00 0.00 0.64 0.00 0.00 57.07 58.43 1jub s TYR 58 Cb 0.00 0.05 0.02 0.00 0.42 0.00 0.00 41.96 42.45 1jub s TYR 58 CO 0.00 -0.20 0.02 0.08 0.64 0.00 0.00 175.55 176.08 1jub s VAL 59 N 0.98 0.02 0.12 3.14 1.01 -0.52 -5.02 120.40 120.13 1jub s VAL 59 Ca -0.07 0.14 -0.30 0.00 0.00 0.00 0.00 61.98 61.75 1jub s VAL 59 Cb -0.08 -0.13 -0.06 0.00 0.00 0.00 0.00 36.38 36.11 1jub s VAL 59 CO -0.06 0.09 1.08 -1.81 0.00 0.00 0.00 175.10 174.40 1jub s ASP 60 N 0.88 7.29 0.22 3.32 1.01 -1.26 -2.18 116.67 125.95 1jub s ASP 60 Ca -0.08 1.97 0.11 0.00 0.71 0.00 0.00 52.55 55.26 1jub s ASP 60 Cb -0.11 -2.59 -0.05 0.00 1.01 0.00 0.00 42.92 41.18 1jub s ASP 60 CO -0.02 -0.24 -0.21 -0.76 0.21 0.00 0.00 175.17 174.14 1jub s LEU 61 N 0.13 2.50 0.26 1.23 1.43 0.14 -4.96 118.68 119.41 1jub s LEU 61 Ca 0.51 -0.93 -0.01 0.00 -1.03 0.00 0.00 54.13 52.66 1jub s LEU 61 Cb -0.27 -1.08 0.48 0.00 0.03 0.00 0.00 46.19 45.35 1jub s LEU 61 CO 0.32 0.06 1.82 -0.08 0.23 0.00 0.00 176.35 178.70 1jub h GLU 62 N 2.83 0.85 -0.60 1.70 4.81 -2.01 -2.17 114.58 119.99 1jub h GLU 62 Ca -0.43 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1jub h GLU 62 Cb 1.23 -0.19 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1jub h GLU 62 CO 0.53 0.56 0.00 1.28 -0.73 0.00 0.00 179.01 180.66 1jub n LEU 63 N -4.69 4.71 0.00 1.64 4.77 -1.26 -4.99 117.00 117.18 1jub n LEU 63 Ca 0.16 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.63 1jub n LEU 63 Cb 0.32 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1jub n LEU 63 CO 0.27 0.78 0.00 0.61 -1.33 0.00 0.00 177.39 177.72 1jub n GLY 64 N 0.93 -0.15 3.54 -0.72 0.00 -0.82 -1.33 105.19 106.64 1jub n GLY 64 Ca 0.25 -0.28 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 1jub n GLY 64 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jub s SER 65 N -4.00 -0.47 -0.00 1.61 1.04 -0.66 -0.68 113.70 110.53 1jub s SER 65 Ca 0.00 -0.15 0.02 0.00 0.48 0.00 0.00 55.95 56.30 1jub s SER 65 Cb 0.00 0.61 -0.00 0.00 0.10 0.00 0.00 66.02 66.73 1jub s SER 65 CO 0.00 -1.03 -0.05 -0.51 0.98 0.00 0.00 173.24 172.63 1jub s ILE 66 N -3.73 0.41 0.07 -1.02 2.07 -0.93 -1.64 121.20 116.44 1jub s ILE 66 Ca 0.04 -0.23 -0.20 0.00 -1.41 0.00 0.00 60.65 58.85 1jub s ILE 66 Cb -0.02 -0.35 0.05 0.00 0.13 0.00 0.00 42.46 42.26 1jub s ILE 66 CO -0.08 0.11 0.48 0.54 -1.91 0.00 0.00 174.94 174.09 1jub s ASN 67 N -0.13 -0.38 -0.41 4.50 2.20 -0.67 -1.44 114.94 118.60 1jub s ASN 67 Ca 0.02 0.02 0.09 0.00 -0.94 0.00 0.00 52.86 52.05 1jub s ASN 67 Cb -0.02 0.49 0.30 0.00 -2.00 0.00 0.00 41.25 40.01 1jub s ASN 67 CO -0.00 -0.76 0.78 -0.24 -2.94 0.00 0.00 177.10 173.93 1jub n SER 68 N 0.21 -0.64 -0.33 3.54 2.88 0.25 -0.03 113.62 119.50 1jub n SER 68 Ca -0.18 -3.11 0.02 0.00 -1.33 0.00 0.00 58.87 54.28 1jub n SER 68 Cb 0.61 0.31 0.17 0.00 -0.75 0.00 0.00 64.21 64.56 1jub n SER 68 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 1jub h MET 69 N 3.46 0.99 0.00 -1.46 2.86 -1.86 -3.41 114.93 115.50 1jub h MET 69 Ca 0.01 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1jub h MET 69 Cb 0.98 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.42 1jub h MET 69 CO 0.38 0.65 0.00 0.41 1.06 0.00 0.00 176.91 179.42 1jub n GLY 70 N -1.34 0.74 3.60 8.32 0.00 -1.25 -0.39 105.19 114.87 1jub n GLY 70 Ca 0.14 -0.68 -0.20 0.00 0.00 0.00 0.00 46.02 45.28 1jub n GLY 70 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1jub n LEU 71 N 0.00 -3.46 -4.72 0.99 7.94 -1.26 -4.24 117.00 112.25 1jub n LEU 71 Ca 0.00 -0.76 -0.42 0.00 -1.11 0.00 0.00 56.01 53.72 1jub n LEU 71 Cb 0.22 -2.82 -0.03 0.00 0.53 0.00 0.00 43.42 41.32 1jub n LEU 71 CO 0.00 0.39 0.90 -2.16 -1.11 0.00 0.00 177.39 175.41 1jub s PRO 72 N -5.74 4.44 0.09 1.96 0.04 -1.26 -4.64 135.00 129.90 1jub s PRO 72 Ca 0.02 1.83 -0.25 0.00 0.04 0.00 0.00 61.00 62.64 1jub s PRO 72 Cb -0.01 -3.30 0.08 0.00 0.04 0.00 0.00 34.50 31.31 1jub s PRO 72 CO 0.79 -0.21 0.71 0.54 0.04 0.00 0.00 177.00 178.86 1jub s ASN 73 N 0.75 -0.49 0.00 6.66 2.20 -0.78 -4.94 114.94 118.34 1jub s ASN 73 Ca 0.57 0.01 0.10 0.00 -0.94 0.00 0.00 52.86 52.61 1jub s ASN 73 Cb -0.31 0.52 0.41 0.00 -2.00 0.00 0.00 41.25 39.87 1jub s ASN 73 CO 0.32 -0.83 1.29 0.18 -2.94 0.00 0.00 177.10 175.12 1jub n LEU 74 N -0.30 0.87 0.00 3.54 4.77 -1.26 -0.88 117.00 123.73 1jub n LEU 74 Ca -0.14 -0.41 0.00 0.00 -0.03 0.00 0.00 56.01 55.43 1jub n LEU 74 Cb 0.64 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 1jub n LEU 74 CO 0.12 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 1jub n GLY 75 N 0.83 0.98 0.29 -0.72 0.00 -1.26 -4.47 105.19 100.85 1jub n GLY 75 Ca 0.09 -1.58 -0.05 0.00 0.00 0.00 0.00 46.02 44.48 1jub n GLY 75 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jub h PHE 76 N 0.00 -0.65 -0.79 1.61 3.57 -0.88 -2.10 116.94 117.69 1jub h PHE 76 Ca 0.00 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1jub h PHE 76 Cb 0.00 0.36 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 1jub h PHE 76 CO 0.00 -0.33 0.52 -0.44 -2.23 0.00 0.00 178.31 175.83 1jub h ASP 77 N -0.15 0.65 0.12 0.41 3.32 -1.86 -0.32 116.42 118.59 1jub h ASP 77 Ca 0.21 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 1jub h ASP 77 Cb 0.49 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.92 1jub h ASP 77 CO -0.56 0.38 -0.06 0.22 -1.72 0.00 0.00 179.24 177.51 1jub h TYR 78 N 0.72 -0.15 -0.44 4.55 3.20 -1.60 -1.18 116.97 122.07 1jub h TYR 78 Ca 0.37 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 62.10 1jub h TYR 78 Cb 0.47 0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1jub h TYR 78 CO -0.00 -0.03 -0.25 1.88 -1.64 0.00 0.00 178.16 178.13 1jub h TYR 79 N -0.24 1.05 -0.61 -3.82 0.05 -1.31 -2.42 116.97 109.68 1jub h TYR 79 Ca -0.02 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 1jub h TYR 79 Cb 0.19 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 37.66 1jub h TYR 79 CO -0.05 1.06 0.31 1.25 -1.05 0.00 0.00 178.16 179.68 1jub h LEU 80 N 0.78 0.78 -0.83 3.88 5.85 -1.01 -1.59 115.31 123.18 1jub h LEU 80 Ca 0.10 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 1jub h LEU 80 Cb 0.81 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1jub h LEU 80 CO 0.07 0.68 0.31 -0.78 -0.34 0.00 0.00 178.44 178.37 1jub h ASP 81 N 0.83 1.08 0.46 1.25 1.82 -1.11 -1.15 116.42 119.60 1jub h ASP 81 Ca 0.21 -0.17 -0.02 0.00 -0.39 0.00 0.00 57.03 56.66 1jub h ASP 81 Cb 0.09 -0.28 0.00 0.00 0.68 0.00 0.00 39.33 39.83 1jub h ASP 81 CO -0.03 0.96 -0.22 0.22 -1.61 0.00 0.00 179.24 178.56 1jub h TYR 82 N 1.14 -0.57 -0.47 0.28 3.20 -1.02 -1.95 116.97 117.58 1jub h TYR 82 Ca 0.26 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.10 1jub h TYR 82 Cb 0.22 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.66 1jub h TYR 82 CO 0.02 -0.31 0.21 -0.39 -1.64 0.00 0.00 178.16 176.04 1jub h VAL 83 N -0.70 1.17 -0.26 1.81 -1.51 -1.21 -1.16 116.25 114.38 1jub h VAL 83 Ca -0.06 -0.50 -0.12 0.00 -1.23 0.00 0.00 66.70 64.79 1jub h VAL 83 Cb 0.51 0.59 -0.01 0.00 -2.13 0.00 0.00 31.29 30.25 1jub h VAL 83 CO 0.10 0.20 -0.33 -0.07 -1.23 0.00 0.00 177.57 176.24 1jub h LEU 84 N 0.66 0.58 -0.08 4.19 3.38 -1.13 -1.21 115.31 121.70 1jub h LEU 84 Ca 0.16 -0.23 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 1jub h LEU 84 Cb 0.10 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 40.70 1jub h LEU 84 CO -0.02 0.87 -0.64 0.11 0.09 0.00 0.00 178.44 178.85 1jub h LYS 85 N 0.48 0.57 0.00 1.13 1.57 -0.88 -3.21 116.57 116.23 1jub h LYS 85 Ca 0.06 -0.51 -0.09 0.00 -1.87 0.00 0.00 60.65 58.23 1jub h LYS 85 Cb 0.80 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.22 1jub h LYS 85 CO 0.07 1.14 -0.44 -0.91 -0.57 0.00 0.00 179.45 178.74 1jub h ASN 86 N 0.19 0.00 -0.68 0.86 2.35 -1.20 -2.94 115.58 114.15 1jub h ASN 86 Ca -0.06 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.72 1jub h ASN 86 Cb 1.30 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.63 1jub h ASN 86 CO 0.13 0.44 0.43 -0.61 -1.65 0.00 0.00 177.43 176.16 1jub h GLN 87 N 0.00 0.81 0.00 0.81 4.15 -1.23 -2.30 115.11 117.35 1jub h GLN 87 Ca -0.00 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.31 1jub h GLN 87 Cb 0.79 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.29 1jub h GLN 87 CO 0.06 0.54 -0.25 0.87 -1.93 0.00 0.00 178.83 178.11 1jub h LYS 88 N 0.84 0.00 0.00 1.69 1.57 -1.53 -2.93 116.57 116.21 1jub h LYS 88 Ca 0.27 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1jub h LYS 88 Cb 0.01 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 1jub h LYS 88 CO -0.10 0.25 -0.18 0.93 -0.57 0.00 0.00 179.45 179.78 1jub h GLU 89 N 0.00 0.00 -6.04 3.15 5.08 -1.41 -3.46 114.58 111.90 1jub h GLU 89 Ca -0.00 0.00 -0.45 0.00 -1.00 0.00 0.00 59.36 57.91 1jub h GLU 89 Cb 0.53 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.66 1jub h GLU 89 CO 0.03 0.18 -0.68 0.09 -1.00 0.00 0.00 179.01 177.63 1jub n ASN 90 N -3.43 -3.76 -1.83 1.42 3.02 -1.11 -4.83 115.26 104.75 1jub n ASN 90 Ca -0.00 -0.67 -0.17 0.00 -0.03 0.00 0.00 54.58 53.71 1jub n ASN 90 Cb 0.36 -3.08 0.18 0.00 -0.61 0.00 0.00 39.78 36.63 1jub n ASN 90 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jub n ALA 91 N -4.01 5.17 -3.51 5.41 0.00 -1.26 -4.95 120.51 117.36 1jub n ALA 91 Ca 0.03 -3.06 -0.12 0.00 0.00 0.00 0.00 53.44 50.29 1jub n ALA 91 Cb 0.52 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 18.70 1jub n ALA 91 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 1jub s GLN 92 N -3.33 0.52 -0.58 0.00 0.74 -1.26 -5.11 119.66 110.64 1jub s GLN 92 Ca 0.53 0.77 -0.23 0.00 0.05 0.00 0.00 55.36 56.48 1jub s GLN 92 Cb 0.45 0.16 0.05 0.00 1.10 0.00 0.00 33.01 34.78 1jub s GLN 92 CO 0.06 -0.11 0.89 -1.21 -0.55 0.00 0.00 175.29 174.37 1jub s GLU 93 N 0.77 3.22 0.00 1.67 2.02 -1.26 -4.80 118.70 120.32 1jub s GLU 93 Ca -0.04 -0.56 0.00 0.00 0.02 0.00 0.00 54.97 54.38 1jub s GLU 93 Cb -0.05 -4.12 0.00 0.00 0.10 0.00 0.00 34.13 30.06 1jub s GLU 93 CO -0.06 -1.55 0.00 0.41 0.02 0.00 0.00 175.26 174.09 1jub n GLY 94 N 5.20 2.52 3.74 -1.39 0.00 -1.25 -4.73 105.19 109.28 1jub n GLY 94 Ca -0.02 -1.50 -0.34 0.00 0.00 0.00 0.00 46.02 44.17 1jub n GLY 94 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1jub s PRO 95 N -5.09 2.46 0.36 1.61 0.04 -1.26 -5.02 135.00 128.10 1jub s PRO 95 Ca 0.00 1.59 -0.16 0.00 0.04 0.00 0.00 61.00 62.47 1jub s PRO 95 Cb 0.00 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.56 1jub s PRO 95 CO 0.00 -1.55 0.80 0.42 0.04 0.00 0.00 177.00 176.71 1jub s ILE 96 N -2.14 4.62 -0.10 0.56 1.01 -1.26 -4.71 121.20 119.18 1jub s ILE 96 Ca 0.71 1.04 -0.05 0.00 0.00 0.00 0.00 60.65 62.35 1jub s ILE 96 Cb -0.25 -3.63 -0.04 0.00 0.01 0.00 0.00 42.46 38.56 1jub s ILE 96 CO 0.43 -0.28 0.09 -0.36 0.00 0.00 0.00 174.94 174.82 1jub s PHE 97 N -2.10 3.43 -0.23 3.97 0.40 -0.63 -1.87 117.98 120.94 1jub s PHE 97 Ca 0.56 0.39 0.02 0.00 -0.60 0.00 0.00 56.93 57.30 1jub s PHE 97 Cb -0.10 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.61 1jub s PHE 97 CO 0.19 0.63 -0.12 0.12 0.70 0.00 0.00 175.22 176.74 1jub s PHE 98 N -0.99 2.90 -0.06 0.36 2.19 0.96 -1.60 117.98 121.74 1jub s PHE 98 Ca 0.15 -1.97 -0.14 0.00 0.33 0.00 0.00 56.93 55.30 1jub s PHE 98 Cb -0.12 -1.83 -0.05 0.00 -1.31 0.00 0.00 43.02 39.71 1jub s PHE 98 CO 0.04 -0.82 0.36 0.45 1.83 0.00 0.00 175.22 177.07 1jub s SER 99 N 1.23 6.67 -0.01 6.13 0.15 -1.26 -0.47 113.70 126.15 1jub s SER 99 Ca -0.04 0.80 0.05 0.00 0.70 0.00 0.00 55.95 57.45 1jub s SER 99 Cb -0.18 -2.22 -0.01 0.00 -1.71 0.00 0.00 66.02 61.91 1jub s SER 99 CO -0.07 0.27 -0.15 0.27 1.20 0.00 0.00 173.24 174.75 1jub s ILE 100 N -0.62 1.21 -0.40 6.45 -4.36 -0.34 -1.87 121.20 121.28 1jub s ILE 100 Ca 0.21 -0.67 0.08 0.00 -0.26 0.00 0.00 60.65 60.02 1jub s ILE 100 Cb -0.15 -1.01 0.26 0.00 1.25 0.00 0.00 42.46 42.81 1jub s ILE 100 CO 0.10 0.33 0.58 0.00 0.24 0.00 0.00 174.94 176.20 1jub n ALA 101 N 2.68 2.03 -1.24 2.27 0.00 -0.36 -0.91 120.51 124.97 1jub n ALA 101 Ca -0.14 -3.22 -0.34 0.00 0.00 0.00 0.00 53.44 49.74 1jub n ALA 101 Cb 0.55 -0.87 0.11 0.00 0.00 0.00 0.00 19.45 19.24 1jub n ALA 101 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1jub s GLY 102 N -1.38 2.32 0.00 0.00 0.00 -1.26 -4.63 107.32 102.37 1jub s GLY 102 Ca 0.35 0.93 0.22 0.00 0.00 0.00 0.00 44.72 46.23 1jub s GLY 102 CO -0.12 1.36 1.54 1.03 0.00 0.00 0.00 173.10 176.91 1jub n MET 103 N -3.00 1.88 -3.72 2.90 2.81 -1.26 -4.81 117.12 111.92 1jub n MET 103 Ca 0.14 -1.31 -0.11 0.00 -1.81 0.00 0.00 57.70 54.61 1jub n MET 103 Cb 0.50 -1.43 -0.06 0.00 -0.71 0.00 0.00 33.22 31.52 1jub n MET 103 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1jub s SER 104 N -1.64 -0.14 0.14 7.83 1.04 -1.26 -5.02 113.70 114.65 1jub s SER 104 Ca 0.34 -0.26 -0.18 0.00 0.48 0.00 0.00 55.95 56.33 1jub s SER 104 Cb 0.19 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 1jub s SER 104 CO 0.28 -0.70 1.77 0.00 0.98 0.00 0.00 173.24 175.58 1jub h ALA 105 N 2.90 0.35 -1.00 5.32 0.00 -2.00 -0.81 119.26 124.02 1jub h ALA 105 Ca -0.33 0.00 0.21 0.00 0.00 0.00 0.00 54.91 54.79 1jub h ALA 105 Cb 1.21 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 18.84 1jub h ALA 105 CO 0.47 -0.24 0.62 0.00 0.00 0.00 0.00 179.25 180.10 1jub h ALA 106 N 1.14 1.80 -0.36 0.00 0.00 -1.99 0.96 119.26 120.82 1jub h ALA 106 Ca 0.12 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 1jub h ALA 106 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1jub h ALA 106 CO -0.07 -0.18 -0.18 1.49 0.00 0.00 0.00 179.25 180.30 1jub h GLU 107 N 0.67 0.76 -0.60 0.00 4.81 -1.57 -1.72 114.58 116.92 1jub h GLU 107 Ca 0.58 -0.34 -0.06 0.00 -0.13 0.00 0.00 59.36 59.41 1jub h GLU 107 Cb 1.03 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.37 1jub h GLU 107 CO -0.36 0.95 0.13 -0.91 -0.73 0.00 0.00 179.01 178.09 1jub h ASN 108 N 0.54 0.93 -0.71 1.04 2.35 -0.28 -1.52 115.58 117.93 1jub h ASN 108 Ca 0.08 -0.24 -0.04 0.00 -0.55 0.00 0.00 56.30 55.54 1jub h ASN 108 Cb 0.73 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1jub h ASN 108 CO 0.05 0.93 0.28 0.40 -1.65 0.00 0.00 177.43 177.44 1jub h ILE 109 N 0.88 1.25 -0.46 2.81 1.08 -0.85 -0.28 117.51 121.95 1jub h ILE 109 Ca 0.19 -0.80 -0.01 0.00 -0.39 0.00 0.00 64.86 63.85 1jub h ILE 109 Cb 0.37 0.43 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 1jub h ILE 109 CO 0.00 0.32 0.24 0.00 -0.69 0.00 0.00 178.15 178.02 1jub h ALA 110 N 1.13 0.59 -0.51 1.87 0.00 -0.94 -0.26 119.26 121.13 1jub h ALA 110 Ca 0.24 -0.10 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 1jub h ALA 110 Cb 0.23 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jub h ALA 110 CO -0.02 0.12 -0.17 0.52 0.00 0.00 0.00 179.25 179.70 1jub h MET 111 N 0.60 1.01 -0.41 0.00 2.86 -1.03 -1.97 114.93 115.99 1jub h MET 111 Ca 0.16 -0.41 -0.06 0.00 -2.06 0.00 0.00 59.70 57.33 1jub h MET 111 Cb 0.07 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 1jub h MET 111 CO -0.02 1.09 -0.00 -0.07 1.06 0.00 0.00 176.91 178.96 1jub h LEU 112 N 0.89 0.63 -0.50 1.22 3.38 -0.84 -0.69 115.31 119.39 1jub h LEU 112 Ca 0.12 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 1jub h LEU 112 Cb 0.75 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1jub h LEU 112 CO 0.06 0.70 0.11 0.11 0.09 0.00 0.00 178.44 179.51 1jub h LYS 113 N 0.62 0.81 -0.60 1.13 1.79 -0.81 0.03 116.57 119.55 1jub h LYS 113 Ca 0.13 -0.20 -0.05 0.00 -2.18 0.00 0.00 60.65 58.35 1jub h LYS 113 Cb 0.40 -0.10 -0.03 0.00 -1.58 0.00 0.00 32.23 30.92 1jub h LYS 113 CO 0.02 0.79 0.19 0.87 -1.08 0.00 0.00 179.45 180.24 1jub h LYS 114 N 0.70 0.93 -0.28 3.15 1.57 -0.91 -0.62 116.57 121.11 1jub h LYS 114 Ca 0.16 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1jub h LYS 114 Cb 0.35 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1jub h LYS 114 CO 0.00 0.82 0.10 0.82 -0.57 0.00 0.00 179.45 180.63 1jub h ILE 115 N 0.85 1.18 -0.63 1.86 2.04 -0.92 -0.44 117.51 121.45 1jub h ILE 115 Ca 0.19 -0.56 0.05 0.00 1.00 0.00 0.00 64.86 65.54 1jub h ILE 115 Cb 0.28 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.34 1jub h ILE 115 CO -0.01 0.19 0.35 -0.61 0.00 0.00 0.00 178.15 178.07 1jub h GLN 116 N 0.29 0.64 0.00 2.37 5.75 -0.75 -2.47 115.11 120.95 1jub h GLN 116 Ca 0.09 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 1jub h GLN 116 Cb 0.20 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.59 1jub h GLN 116 CO -0.01 0.43 -0.42 0.93 -2.65 0.00 0.00 178.83 177.11 1jub h GLU 117 N 0.66 0.00 -7.52 1.69 3.07 -0.93 -3.46 114.58 108.10 1jub h GLU 117 Ca 0.28 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.71 1jub h GLU 117 Cb 0.15 0.00 0.18 0.00 -0.84 0.00 0.00 28.75 28.24 1jub h GLU 117 CO -0.17 0.42 0.23 -1.54 -1.40 0.00 0.00 179.01 176.55 1jub s SER 118 N -6.43 1.75 -0.00 1.42 1.04 -0.19 -4.94 113.70 106.34 1jub s SER 118 Ca 0.01 0.58 0.12 0.00 0.48 0.00 0.00 55.95 57.14 1jub s SER 118 Cb 0.10 -0.81 0.36 0.00 0.10 0.00 0.00 66.02 65.77 1jub s SER 118 CO 0.70 -3.61 1.29 0.47 0.98 0.00 0.00 173.24 173.08 1jub n ASP 119 N -4.40 2.21 -4.68 7.02 8.00 -1.26 -4.94 116.55 118.50 1jub n ASP 119 Ca 0.13 -2.02 -0.49 0.00 0.71 0.00 0.00 54.79 53.12 1jub n ASP 119 Cb 0.59 -0.28 -0.05 0.00 -0.02 0.00 0.00 41.12 41.36 1jub n ASP 119 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1jub n PHE 120 N 0.67 2.24 0.11 1.24 7.35 -1.26 -4.85 117.46 122.96 1jub n PHE 120 Ca 0.14 0.16 0.06 0.00 -0.76 0.00 0.00 57.45 57.05 1jub n PHE 120 Cb 0.36 -2.59 0.12 0.00 0.35 0.00 0.00 39.48 37.71 1jub n PHE 120 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1jub n SER 121 N 5.48 2.61 -2.06 -2.13 3.41 -1.26 -5.00 113.62 114.67 1jub n SER 121 Ca 0.21 -1.79 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1jub n SER 121 Cb 0.27 -0.15 0.00 0.00 -0.26 0.00 0.00 64.21 64.07 1jub n SER 121 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jub n GLY 122 N 0.66 0.06 3.66 5.00 0.00 -1.26 -4.99 105.19 108.32 1jub n GLY 122 Ca 0.10 -1.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.02 1jub n GLY 122 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jub s ILE 123 N 0.56 4.19 -0.06 -0.61 1.01 -0.78 -4.48 121.20 121.03 1jub s ILE 123 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 60.65 60.37 1jub s ILE 123 Cb 0.00 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.68 1jub s ILE 123 CO 0.00 0.60 -0.06 -0.89 0.00 0.00 0.00 174.94 174.59 1jub s THR 124 N -0.82 3.76 -0.19 2.92 2.01 -0.55 -0.03 115.64 122.75 1jub s THR 124 Ca 0.12 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.64 1jub s THR 124 Cb -0.11 -2.56 0.03 0.00 0.01 0.00 0.00 72.50 69.87 1jub s THR 124 CO 0.02 0.57 -0.16 -0.70 -0.69 0.00 0.00 174.62 173.66 1jub s GLU 125 N -0.91 2.61 -0.34 4.92 2.12 0.39 -0.76 118.70 126.73 1jub s GLU 125 Ca 0.13 -0.84 -0.19 0.00 0.36 0.00 0.00 54.97 54.43 1jub s GLU 125 Cb -0.11 -2.49 -0.00 0.00 0.26 0.00 0.00 34.13 31.79 1jub s GLU 125 CO 0.02 -0.29 0.58 -1.17 -0.54 0.00 0.00 175.26 173.86 1jub s LEU 126 N 1.32 4.26 -0.54 2.70 2.96 0.31 -1.19 118.68 128.50 1jub s LEU 126 Ca 0.02 0.14 -0.27 0.00 -0.22 0.00 0.00 54.13 53.80 1jub s LEU 126 Cb -0.14 -2.70 0.03 0.00 0.50 0.00 0.00 46.19 43.88 1jub s LEU 126 CO -0.11 -0.52 1.07 0.21 -1.32 0.00 0.00 176.35 175.69 1jub s ASN 127 N 1.75 6.45 -0.32 3.68 3.84 -0.09 -1.06 114.94 129.19 1jub s ASN 127 Ca 0.22 0.04 0.09 0.00 0.21 0.00 0.00 52.86 53.41 1jub s ASN 127 Cb -0.15 -2.50 0.57 0.00 -0.55 0.00 0.00 41.25 38.62 1jub s ASN 127 CO 0.13 -1.31 1.60 0.18 -2.79 0.00 0.00 177.10 174.92 1jub n LEU 128 N 7.87 4.91 -0.36 3.21 4.77 -0.83 -4.66 117.00 131.92 1jub n LEU 128 Ca 0.07 -3.61 0.00 0.00 -0.03 0.00 0.00 56.01 52.44 1jub n LEU 128 Cb 0.48 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1jub n LEU 128 CO 0.68 1.11 0.22 -1.54 -1.33 0.00 0.00 177.39 176.53 1jub n SER 129 N -0.98 0.00 -4.64 -1.43 3.41 -1.24 -1.30 113.62 107.44 1jub n SER 129 Ca 0.39 -1.41 -0.42 0.00 -0.26 0.00 0.00 58.87 57.16 1jub n SER 129 Cb 1.21 -0.08 -0.03 0.00 -0.26 0.00 0.00 64.21 65.05 1jub n SER 129 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jub n PRO 131 N 7.88 3.63 -0.09 0.00 -0.04 -1.26 -4.37 135.00 140.75 1jub n PRO 131 Ca 0.22 -2.51 0.09 0.00 -0.04 0.00 0.00 63.50 61.26 1jub n PRO 131 Cb 0.43 -1.91 0.13 0.00 -0.04 0.00 0.00 33.50 32.10 1jub n PRO 131 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1jub n ASN 132 N 0.82 2.21 -4.39 3.54 3.02 -1.26 -4.62 115.26 114.58 1jub n ASN 132 Ca 0.22 -2.97 -0.43 0.00 -0.03 0.00 0.00 54.58 51.37 1jub n ASN 132 Cb 0.86 -0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 39.55 1jub n ASN 132 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1jub s VAL 133 N -2.63 5.00 -0.10 2.41 -7.23 -1.26 -3.97 120.40 112.63 1jub s VAL 133 Ca 0.29 -0.96 -0.38 0.00 -1.81 0.00 0.00 61.98 59.11 1jub s VAL 133 Cb 0.25 -3.91 -0.16 0.00 0.56 0.00 0.00 36.38 33.12 1jub s VAL 133 CO 0.03 -0.44 1.58 -2.65 -0.31 0.00 0.00 175.10 173.30 1jub n PRO 134 N 5.12 1.25 -0.97 4.82 -0.02 -1.26 -0.54 135.00 143.40 1jub n PRO 134 Ca -0.12 0.46 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1jub n PRO 134 Cb 0.45 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 1jub n PRO 134 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jub n GLY 135 N 3.48 0.90 3.00 -1.23 0.00 -1.26 -4.98 105.19 105.09 1jub n GLY 135 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 1jub n GLY 135 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1jub s GLU 136 N -0.07 1.65 0.90 1.61 2.12 0.30 -5.11 118.70 120.10 1jub s GLU 136 Ca 0.00 -2.12 -0.11 0.00 0.36 0.00 0.00 54.97 53.10 1jub s GLU 136 Cb 0.00 -3.25 0.13 0.00 0.26 0.00 0.00 34.13 31.27 1jub s GLU 136 CO 0.00 -1.00 1.09 -1.25 -0.54 0.00 0.00 175.26 173.57 1jub s PRO 137 N 0.52 1.24 -0.37 4.30 0.04 -1.26 -4.52 135.00 134.95 1jub s PRO 137 Ca 0.13 0.88 -0.28 0.00 0.04 0.00 0.00 61.00 61.77 1jub s PRO 137 Cb -0.21 -1.80 -0.01 0.00 0.04 0.00 0.00 34.50 32.52 1jub s PRO 137 CO -0.05 -2.27 1.65 -0.65 0.04 0.00 0.00 177.00 175.71 1jub s GLN 138 N -4.90 3.41 0.32 4.56 -0.21 -1.26 -4.90 119.66 116.68 1jub s GLN 138 Ca 0.64 1.20 0.11 0.00 0.02 0.00 0.00 55.36 57.32 1jub s GLN 138 Cb -0.18 -4.14 0.96 0.00 1.00 0.00 0.00 33.01 30.65 1jub s GLN 138 CO 0.57 -1.77 1.68 1.25 -2.12 0.00 0.00 175.29 174.90 1jub h LEU 139 N 13.17 0.45 0.00 2.90 5.85 -1.91 -1.11 115.31 134.67 1jub h LEU 139 Ca -0.31 0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.59 1jub h LEU 139 Cb 1.14 0.14 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1jub h LEU 139 CO 1.06 -0.08 0.00 0.00 -0.34 0.00 0.00 178.44 179.08 1jub n ALA 140 N -2.38 1.97 1.03 1.25 0.00 -0.42 -0.84 120.51 121.12 1jub n ALA 140 Ca 0.28 -0.08 0.12 0.00 0.00 0.00 0.00 53.44 53.76 1jub n ALA 140 Cb 0.86 -1.21 0.08 0.00 0.00 0.00 0.00 19.45 19.18 1jub n ALA 140 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1jub n TYR 141 N -1.01 0.00 -3.74 0.00 4.01 -0.42 -4.59 117.16 111.42 1jub n TYR 141 Ca 0.10 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.48 1jub n TYR 141 Cb 0.05 -0.01 -0.10 0.00 -0.31 0.00 0.00 39.34 38.97 1jub n TYR 141 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1jub s ASP 142 N -2.25 5.19 0.27 7.72 -1.08 -0.02 -4.96 116.67 121.53 1jub s ASP 142 Ca 0.24 -2.79 -0.02 0.00 -0.52 0.00 0.00 52.55 49.46 1jub s ASP 142 Cb 0.19 -1.84 0.42 0.00 -1.46 0.00 0.00 42.92 40.23 1jub s ASP 142 CO 0.44 -0.38 1.87 -0.26 0.52 0.00 0.00 175.17 177.36 1jub h PHE 143 N 7.09 1.17 0.02 -5.34 0.04 -1.81 -0.37 116.94 117.75 1jub h PHE 143 Ca -0.03 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.77 1jub h PHE 143 Cb 0.96 -0.38 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1jub h PHE 143 CO 0.68 0.58 -0.01 1.49 -0.60 0.00 0.00 178.31 180.46 1jub h GLU 144 N 1.13 -0.02 -0.48 1.51 4.81 -1.93 -1.64 114.58 117.94 1jub h GLU 144 Ca 0.44 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.61 1jub h GLU 144 Cb 0.22 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.59 1jub h GLU 144 CO -0.19 0.14 0.07 0.00 -0.73 0.00 0.00 179.01 178.30 1jub h ALA 145 N 0.80 1.22 -0.22 2.92 0.00 -1.82 -1.71 119.26 120.44 1jub h ALA 145 Ca -0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1jub h ALA 145 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jub h ALA 145 CO 0.00 0.53 0.03 1.15 0.00 0.00 0.00 179.25 180.96 1jub h THR 146 N 0.72 1.23 -0.75 0.00 2.02 -0.92 -1.55 112.91 113.67 1jub h THR 146 Ca 0.15 -0.79 -0.06 0.00 0.77 0.00 0.00 66.41 66.49 1jub h THR 146 Cb 0.34 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.04 1jub h THR 146 CO 0.01 0.25 0.25 -0.08 0.37 0.00 0.00 175.52 176.31 1jub h GLU 147 N 0.17 1.16 -0.52 6.66 4.81 -1.14 -1.46 114.58 124.25 1jub h GLU 147 Ca 0.07 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.04 1jub h GLU 147 Cb 0.34 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1jub h GLU 147 CO 0.01 0.97 0.27 -0.22 -0.73 0.00 0.00 179.01 179.31 1jub h LYS 148 N 1.11 0.74 -0.10 1.92 3.64 -1.19 -1.15 116.57 121.55 1jub h LYS 148 Ca 0.24 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 1jub h LYS 148 Cb 0.29 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1jub h LYS 148 CO -0.01 0.60 0.02 1.25 -2.27 0.00 0.00 179.45 179.04 1jub h LEU 149 N 0.70 0.15 -1.29 5.20 5.85 -1.04 -2.82 115.31 122.06 1jub h LEU 149 Ca 0.18 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 1jub h LEU 149 Cb 0.09 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.05 1jub h LEU 149 CO -0.03 0.35 0.29 -0.07 -0.34 0.00 0.00 178.44 178.64 1jub h LEU 150 N -0.06 0.69 -0.62 2.25 3.38 -1.15 -0.53 115.31 119.27 1jub h LEU 150 Ca 0.03 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1jub h LEU 150 Cb 0.26 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 1jub h LEU 150 CO 0.00 0.57 0.32 0.11 0.09 0.00 0.00 178.44 179.53 1jub h LYS 151 N 0.78 0.88 -0.46 1.13 1.57 -1.11 -1.30 116.57 118.06 1jub h LYS 151 Ca 0.20 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.78 1jub h LYS 151 Cb 0.05 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 1jub h LYS 151 CO -0.03 0.69 -0.04 1.49 -0.57 0.00 0.00 179.45 180.99 1jub h GLU 152 N 0.85 0.84 -0.39 3.15 4.81 -1.15 -3.12 114.58 119.58 1jub h GLU 152 Ca 0.22 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 59.20 1jub h GLU 152 Cb 0.08 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 1jub h GLU 152 CO -0.03 0.91 0.13 0.28 -0.73 0.00 0.00 179.01 179.58 1jub h VAL 153 N 0.69 0.89 0.00 0.32 2.07 -0.73 -2.28 116.25 117.20 1jub h VAL 153 Ca 0.13 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.55 1jub h VAL 153 Cb 0.56 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1jub h VAL 153 CO 0.03 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.16 1jub n PHE 154 N -5.01 0.00 1.00 1.57 3.72 -0.52 -0.86 117.46 117.35 1jub n PHE 154 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 1jub n PHE 154 Cb 0.14 0.00 0.45 0.00 -0.94 0.00 0.00 39.48 39.13 1jub n PHE 154 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1jub n THR 155 N -0.73 0.00 0.00 4.37 -2.24 -0.86 -4.50 114.28 110.32 1jub n THR 155 Ca 0.09 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 1jub n THR 155 Cb 0.04 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1jub n THR 155 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1jub n PHE 156 N -1.49 0.00 -2.72 4.78 1.16 -1.00 -5.07 117.46 113.12 1jub n PHE 156 Ca 0.06 0.00 -0.43 0.00 -1.87 0.00 0.00 57.45 55.22 1jub n PHE 156 Cb 0.34 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.18 1jub n PHE 156 CO 0.00 0.00 0.00 0.12 -1.87 0.00 0.00 176.76 175.01 1jub s PHE 157 N -0.71 3.03 -0.94 2.97 5.36 -0.04 -4.87 117.98 122.78 1jub s PHE 157 Ca 0.00 0.85 0.14 0.00 -0.96 0.00 0.00 56.93 56.96 1jub s PHE 157 Cb 0.00 -3.85 -0.09 0.00 -0.34 0.00 0.00 43.02 38.73 1jub s PHE 157 CO 0.00 -0.93 0.68 0.25 -1.46 0.00 0.00 175.22 173.76 1jub n THR 158 N 6.17 0.00 -2.11 0.12 -2.24 -1.26 -4.72 114.28 110.24 1jub n THR 158 Ca 0.09 -0.24 -0.29 0.00 -2.27 0.00 0.00 64.05 61.34 1jub n THR 158 Cb 0.48 1.07 0.03 0.00 -2.10 0.00 0.00 70.33 69.81 1jub n THR 158 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1jub s LYS 159 N -2.10 3.10 0.01 -0.78 1.02 -1.26 -4.97 119.74 114.76 1jub s LYS 159 Ca 0.08 0.36 -0.35 0.00 0.02 0.00 0.00 55.97 56.09 1jub s LYS 159 Cb 0.11 -2.14 -0.13 0.00 -0.52 0.00 0.00 37.83 35.15 1jub s LYS 159 CO 0.49 -0.76 1.71 -2.30 -0.92 0.00 0.00 175.35 173.58 1jub n PRO 160 N -2.75 2.04 -4.06 -1.68 -0.02 -1.26 -4.94 135.00 122.32 1jub n PRO 160 Ca 0.05 0.74 -0.17 0.00 -2.02 0.00 0.00 63.50 62.11 1jub n PRO 160 Cb 0.56 -2.54 -0.15 0.00 -0.02 0.00 0.00 33.50 31.35 1jub n PRO 160 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1jub s LEU 161 N 2.51 1.56 0.27 2.45 2.96 -1.26 -1.49 118.68 125.69 1jub s LEU 161 Ca 0.87 -0.07 0.07 0.00 -0.22 0.00 0.00 54.13 54.78 1jub s LEU 161 Cb -0.73 -0.27 -0.06 0.00 0.50 0.00 0.00 46.19 45.64 1jub s LEU 161 CO 0.46 -0.02 -0.08 -0.83 -1.32 0.00 0.00 176.35 174.56 1jub s GLY 162 N 0.51 1.77 -0.05 7.98 0.00 0.06 -0.26 107.32 117.33 1jub s GLY 162 Ca -0.06 -1.87 0.05 0.00 0.00 0.00 0.00 44.72 42.85 1jub s GLY 162 CO -0.01 -1.83 -0.21 -1.34 0.00 0.00 0.00 173.10 169.71 1jub s VAL 163 N -2.98 1.72 -0.32 1.40 -7.23 -0.77 -0.53 120.40 111.68 1jub s VAL 163 Ca 0.28 -0.87 -0.19 0.00 -1.81 0.00 0.00 61.98 59.39 1jub s VAL 163 Cb 0.03 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.49 1jub s VAL 163 CO 0.11 0.48 0.58 -0.75 -0.31 0.00 0.00 175.10 175.22 1jub s LYS 164 N 0.01 3.80 0.12 4.82 2.47 -0.22 -0.33 119.74 130.42 1jub s LYS 164 Ca -0.06 0.12 0.05 0.00 -1.56 0.00 0.00 55.97 54.52 1jub s LYS 164 Cb -0.13 -3.76 -0.04 0.00 -1.46 0.00 0.00 37.83 32.44 1jub s LYS 164 CO 0.03 -0.59 0.06 -0.51 0.16 0.00 0.00 175.35 174.50 1jub s LEU 165 N 2.52 3.62 0.73 5.43 1.43 0.01 -1.97 118.68 130.45 1jub s LEU 165 Ca 0.22 -0.16 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1jub s LEU 165 Cb -0.15 -2.29 0.03 0.00 0.03 0.00 0.00 46.19 43.81 1jub s LEU 165 CO 0.12 0.13 1.11 -2.16 0.23 0.00 0.00 176.35 175.78 1jub s PRO 166 N -2.66 2.63 0.38 1.29 0.04 -1.26 -1.11 135.00 134.31 1jub s PRO 166 Ca 0.28 0.35 -0.25 0.00 0.04 0.00 0.00 61.00 61.42 1jub s PRO 166 Cb -0.11 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.32 1jub s PRO 166 CO 0.21 -1.16 1.05 -1.25 0.04 0.00 0.00 177.00 175.88 1jub s PRO 167 N -5.40 4.26 0.14 0.56 0.04 -1.26 -4.77 135.00 128.58 1jub s PRO 167 Ca 0.59 1.54 0.07 0.00 0.04 0.00 0.00 61.00 63.24 1jub s PRO 167 Cb -0.11 -2.66 -0.04 0.00 0.04 0.00 0.00 34.50 31.73 1jub s PRO 167 CO 0.51 -0.06 -0.03 0.71 0.04 0.00 0.00 177.00 178.17 1jub s TYR 168 N -1.58 2.84 -0.00 0.56 2.02 -1.26 -5.05 117.35 114.88 1jub s TYR 168 Ca 0.55 -0.12 0.00 0.00 -0.37 0.00 0.00 57.07 57.13 1jub s TYR 168 Cb -0.23 -1.42 0.00 0.00 -0.40 0.00 0.00 41.96 39.91 1jub s TYR 168 CO 0.29 0.49 0.78 1.19 -1.57 0.00 0.00 175.55 176.73 1jub n PHE 169 N 0.23 0.00 -4.03 2.71 3.01 -1.26 -4.85 117.46 113.27 1jub n PHE 169 Ca -0.11 -0.28 -0.18 0.00 1.01 0.00 0.00 57.45 57.90 1jub n PHE 169 Cb 0.54 -0.03 -0.16 0.00 -0.01 0.00 0.00 39.48 39.82 1jub n PHE 169 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jub s ASP 170 N -0.57 0.60 0.40 4.37 3.68 -1.26 -5.05 116.67 118.84 1jub s ASP 170 Ca 0.00 -0.07 0.12 0.00 2.13 0.00 0.00 52.55 54.73 1jub s ASP 170 Cb 0.00 -0.30 0.93 0.00 -1.45 0.00 0.00 42.92 42.10 1jub s ASP 170 CO 0.00 -0.08 1.93 -0.07 0.13 0.00 0.00 175.17 177.08 1jub h LEU 171 N 7.16 0.50 -1.24 -1.34 3.38 -2.00 -0.69 115.31 121.08 1jub h LEU 171 Ca -0.41 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 1jub h LEU 171 Cb 1.14 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1jub h LEU 171 CO 0.48 0.28 0.02 1.62 0.09 0.00 0.00 178.44 180.94 1jub h VAL 172 N 0.55 1.19 -0.43 1.22 3.04 -1.99 -1.59 116.25 118.24 1jub h VAL 172 Ca 0.36 -0.75 -0.08 0.00 -1.01 0.00 0.00 66.70 65.22 1jub h VAL 172 Cb 0.63 0.90 -0.02 0.00 -2.01 0.00 0.00 31.29 30.79 1jub h VAL 172 CO -0.13 0.26 -0.06 0.45 -1.01 0.00 0.00 177.57 177.08 1jub h HIS 173 N 0.52 0.79 -0.58 3.17 3.86 -1.55 0.39 115.15 121.75 1jub h HIS 173 Ca 0.11 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 1jub h HIS 173 Cb 0.30 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 1jub h HIS 173 CO 0.01 0.77 -0.01 0.74 0.86 0.00 0.00 177.93 180.31 1jub h PHE 174 N 0.68 1.11 -0.30 2.45 0.04 -1.21 -0.37 116.94 119.35 1jub h PHE 174 Ca 0.13 -0.19 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 1jub h PHE 174 Cb 0.51 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.35 1jub h PHE 174 CO 0.02 0.99 0.10 -0.44 -0.60 0.00 0.00 178.31 178.39 1jub h ASP 175 N 0.94 0.42 -0.02 2.17 3.32 -0.70 -0.01 116.42 122.54 1jub h ASP 175 Ca 0.17 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1jub h ASP 175 Cb 0.55 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 39.99 1jub h ASP 175 CO 0.03 0.50 0.01 0.40 -1.72 0.00 0.00 179.24 178.46 1jub h ILE 176 N 0.33 1.08 -0.73 0.35 2.04 -0.76 -1.43 117.51 118.39 1jub h ILE 176 Ca 0.10 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.67 1jub h ILE 176 Cb 0.22 1.21 -0.03 0.00 -0.74 0.00 0.00 36.82 37.47 1jub h ILE 176 CO -0.01 0.07 0.30 0.24 0.00 0.00 0.00 178.15 178.75 1jub h MET 177 N -0.06 1.10 -0.66 2.37 2.86 -1.00 -1.94 114.93 117.60 1jub h MET 177 Ca 0.01 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 1jub h MET 177 Cb 0.10 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1jub h MET 177 CO -0.00 0.90 0.34 0.00 1.06 0.00 0.00 176.91 179.20 1jub h ALA 178 N 1.15 0.84 -0.79 6.32 0.00 -0.87 0.70 119.26 126.61 1jub h ALA 178 Ca 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1jub h ALA 178 Cb 0.21 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1jub h ALA 178 CO -0.02 0.38 0.46 1.49 0.00 0.00 0.00 179.25 181.56 1jub h GLU 179 N 0.90 1.09 0.06 0.00 4.81 -0.96 0.48 114.58 120.95 1jub h GLU 179 Ca 0.23 -0.11 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1jub h GLU 179 Cb 0.08 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.24 1jub h GLU 179 CO -0.03 0.79 -0.03 0.82 -0.73 0.00 0.00 179.01 179.83 1jub h ILE 180 N 1.09 1.15 -0.37 2.32 2.04 -0.85 -3.27 117.51 119.62 1jub h ILE 180 Ca 0.28 -0.69 -0.08 0.00 1.00 0.00 0.00 64.86 65.37 1jub h ILE 180 Cb -0.00 1.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.66 1jub h ILE 180 CO -0.05 0.17 -0.10 -0.07 0.00 0.00 0.00 178.15 178.10 1jub h LEU 181 N -0.38 0.62 -1.11 1.44 3.38 -0.70 -3.09 115.31 115.47 1jub h LEU 181 Ca -0.01 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1jub h LEU 181 Cb 0.34 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jub h LEU 181 CO 0.01 0.76 0.00 0.59 0.09 0.00 0.00 178.44 179.89 1jub n ASN 182 N -4.19 0.57 -0.11 -0.43 3.02 0.14 -1.92 115.26 112.35 1jub n ASN 182 Ca 0.01 0.72 0.14 0.00 -0.03 0.00 0.00 54.58 55.42 1jub n ASN 182 Cb 0.34 -0.81 0.53 0.00 -0.61 0.00 0.00 39.78 39.22 1jub n ASN 182 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1jub n GLN 183 N -2.22 0.55 -4.22 3.52 10.64 -1.17 -4.89 117.38 119.60 1jub n GLN 183 Ca -0.00 -0.22 -0.25 0.00 -1.83 0.00 0.00 57.00 54.70 1jub n GLN 183 Cb 0.10 -1.50 -0.07 0.00 -0.86 0.00 0.00 30.24 27.91 1jub n GLN 183 CO 0.00 0.00 0.00 -0.06 -1.83 0.00 0.00 177.06 175.17 1jub s PHE 184 N -2.60 2.82 -0.22 2.61 0.08 -0.81 -5.01 117.98 114.84 1jub s PHE 184 Ca 0.24 -0.16 -0.05 0.00 0.12 0.00 0.00 56.93 57.08 1jub s PHE 184 Cb 0.19 -1.33 -0.15 0.00 -0.57 0.00 0.00 43.02 41.16 1jub s PHE 184 CO 0.52 0.54 3.31 -0.35 -0.10 0.00 0.00 175.22 179.13 1jub n PRO 185 N -0.36 2.23 -2.32 0.24 -0.04 -1.26 -4.93 135.00 128.56 1jub n PRO 185 Ca -0.09 -1.52 -0.39 0.00 -0.04 0.00 0.00 63.50 61.46 1jub n PRO 185 Cb 0.56 -2.08 -0.02 0.00 -0.04 0.00 0.00 33.50 31.91 1jub n PRO 185 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1jub s LEU 186 N -0.75 4.26 0.01 1.53 1.43 -1.26 -4.83 118.68 119.06 1jub s LEU 186 Ca 0.64 2.35 -0.13 0.00 -1.03 0.00 0.00 54.13 55.96 1jub s LEU 186 Cb 0.33 -3.95 -0.33 0.00 0.03 0.00 0.00 46.19 42.27 1jub s LEU 186 CO -0.08 -0.58 0.90 0.74 0.23 0.00 0.00 176.35 177.56 1jub h THR 187 N 2.48 1.18 -2.59 5.49 2.02 -0.92 -3.38 112.91 117.18 1jub h THR 187 Ca -0.48 -2.67 0.13 0.00 0.77 0.00 0.00 66.41 64.16 1jub h THR 187 Cb 1.23 2.94 -0.07 0.00 -1.74 0.00 0.00 68.15 70.51 1jub h THR 187 CO 0.63 0.83 0.39 -0.72 0.37 0.00 0.00 175.52 177.02 1jub s TYR 188 N -2.60 -0.16 -0.05 3.16 -0.85 -1.19 -1.75 117.35 113.91 1jub s TYR 188 Ca -0.11 -0.20 0.05 0.00 -0.52 0.00 0.00 57.07 56.29 1jub s TYR 188 Cb 0.05 0.66 -0.01 0.00 0.38 0.00 0.00 41.96 43.04 1jub s TYR 188 CO 0.91 -0.98 -0.19 0.08 -1.52 0.00 0.00 175.55 173.85 1jub s VAL 189 N -3.52 1.60 -0.30 -3.49 1.01 -0.55 -1.85 120.40 113.29 1jub s VAL 189 Ca 0.11 -0.81 -0.02 0.00 0.00 0.00 0.00 61.98 61.26 1jub s VAL 189 Cb -0.03 -1.36 0.05 0.00 0.00 0.00 0.00 36.38 35.03 1jub s VAL 189 CO 0.04 0.45 -0.00 0.21 0.00 0.00 0.00 175.10 175.80 1jub s ASN 190 N -0.03 4.85 -0.12 3.32 3.84 0.55 -0.78 114.94 126.58 1jub s ASN 190 Ca -0.03 -1.22 0.03 0.00 0.21 0.00 0.00 52.86 51.84 1jub s ASN 190 Cb -0.12 -1.71 0.00 0.00 -0.55 0.00 0.00 41.25 38.87 1jub s ASN 190 CO 0.02 -0.25 -0.22 -0.44 -2.79 0.00 0.00 177.10 173.43 1jub s SER 191 N 1.27 3.24 0.16 -4.21 0.01 -0.69 -0.81 113.70 112.67 1jub s SER 191 Ca -0.05 -0.54 0.02 0.00 1.31 0.00 0.00 55.95 56.69 1jub s SER 191 Cb -0.19 -1.45 -0.05 0.00 0.21 0.00 0.00 66.02 64.54 1jub s SER 191 CO -0.01 0.13 -0.02 0.68 0.41 0.00 0.00 173.24 174.43 1jub s VAL 192 N 0.51 0.71 0.99 3.43 -7.23 0.33 -0.21 120.40 118.93 1jub s VAL 192 Ca -0.14 -1.98 -0.16 0.00 -1.81 0.00 0.00 61.98 57.89 1jub s VAL 192 Cb -0.17 -2.02 0.22 0.00 0.56 0.00 0.00 36.38 34.98 1jub s VAL 192 CO 0.05 -0.57 1.35 0.21 -0.31 0.00 0.00 175.10 175.83 1jub s ASN 193 N -3.15 2.86 0.76 4.85 3.84 -0.26 -4.49 114.94 119.35 1jub s ASN 193 Ca 0.21 0.15 -0.15 0.00 0.21 0.00 0.00 52.86 53.28 1jub s ASN 193 Cb 0.06 -0.11 0.03 0.00 -0.55 0.00 0.00 41.25 40.68 1jub s ASN 193 CO 0.02 -2.88 1.03 -1.20 -2.79 0.00 0.00 177.10 171.27 1jub n SER 194 N -3.84 0.58 -4.64 -4.21 7.64 -1.26 -4.46 113.62 103.44 1jub n SER 194 Ca 0.17 0.63 -0.43 0.00 1.01 0.00 0.00 58.87 60.25 1jub n SER 194 Cb 0.59 -1.43 -0.02 0.00 -1.01 0.00 0.00 64.21 62.33 1jub n SER 194 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1jub s ILE 195 N -1.92 4.01 0.52 0.44 1.01 -0.61 -4.60 121.20 120.05 1jub s ILE 195 Ca 0.73 1.16 -0.20 0.00 0.00 0.00 0.00 60.65 62.34 1jub s ILE 195 Cb -0.32 -3.95 -0.06 0.00 0.01 0.00 0.00 42.46 38.14 1jub s ILE 195 CO 0.51 -0.32 1.15 -0.83 0.00 0.00 0.00 174.94 175.45 1jub s GLY 196 N 3.06 2.70 -1.31 6.18 0.00 -1.26 -0.66 107.32 116.01 1jub s GLY 196 Ca 0.61 0.89 -0.14 0.00 0.00 0.00 0.00 44.72 46.09 1jub s GLY 196 CO 0.23 1.28 0.51 0.70 0.00 0.00 0.00 173.10 175.83 1jub n ASN 197 N -1.09 -2.31 -4.82 1.64 3.02 -1.19 -4.88 115.26 105.64 1jub n ASN 197 Ca 0.11 -1.12 -0.23 0.00 -0.03 0.00 0.00 54.58 53.30 1jub n ASN 197 Cb 0.50 -2.57 0.08 0.00 -0.61 0.00 0.00 39.78 37.17 1jub n ASN 197 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jub s GLY 198 N -3.94 1.78 -0.00 7.41 0.00 0.96 -4.71 107.32 108.82 1jub s GLY 198 Ca 0.24 -1.51 0.01 0.00 0.00 0.00 0.00 44.72 43.46 1jub s GLY 198 CO 0.92 -1.07 -0.03 -2.27 0.00 0.00 0.00 173.10 170.65 1jub s LEU 199 N -5.00 2.00 -0.03 0.66 2.96 -1.26 -1.12 118.68 116.89 1jub s LEU 199 Ca 0.62 -0.06 0.04 0.00 -0.22 0.00 0.00 54.13 54.51 1jub s LEU 199 Cb -0.08 -0.17 -0.00 0.00 0.50 0.00 0.00 46.19 46.44 1jub s LEU 199 CO 0.42 0.04 -0.15 0.12 -1.32 0.00 0.00 176.35 175.46 1jub s PHE 200 N -0.07 1.47 0.01 5.38 5.36 -1.26 -5.07 117.98 123.80 1jub s PHE 200 Ca 0.01 -0.39 0.07 0.00 -0.96 0.00 0.00 56.93 55.67 1jub s PHE 200 Cb -0.01 -0.99 -0.02 0.00 -0.34 0.00 0.00 43.02 41.65 1jub s PHE 200 CO -0.00 -0.12 -0.23 0.42 -1.46 0.00 0.00 175.22 173.83 1jub s ILE 201 N 0.01 1.80 -0.53 3.12 1.01 -1.26 -3.40 121.20 121.95 1jub s ILE 201 Ca -0.02 -1.10 -0.18 0.00 0.00 0.00 0.00 60.65 59.35 1jub s ILE 201 Cb -0.10 -1.52 0.08 0.00 0.01 0.00 0.00 42.46 40.93 1jub s ILE 201 CO 0.01 0.40 0.61 -0.62 0.00 0.00 0.00 174.94 175.34 1jub s ASP 202 N -0.83 6.20 0.46 3.58 -1.08 0.32 -4.94 116.67 120.38 1jub s ASP 202 Ca 0.09 -1.18 0.12 0.00 -0.52 0.00 0.00 52.55 51.05 1jub s ASP 202 Cb -0.09 -2.27 1.06 0.00 -1.46 0.00 0.00 42.92 40.15 1jub s ASP 202 CO 0.00 -0.93 2.10 1.55 0.52 0.00 0.00 175.17 178.41 1jub h PRO 203 N 9.02 0.29 -0.00 4.34 0.13 -1.96 0.29 132.00 144.10 1jub h PRO 203 Ca -0.28 -0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1jub h PRO 203 Cb 1.09 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1jub h PRO 203 CO 1.00 0.19 0.00 1.49 -0.23 0.00 0.00 178.00 180.45 1jub h GLU 204 N 0.30 0.00 -0.00 0.86 4.57 -1.96 -2.99 114.58 115.36 1jub h GLU 204 Ca 0.09 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1jub h GLU 204 Cb 0.00 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1jub h GLU 204 CO -0.02 0.28 -0.19 0.00 -1.18 0.00 0.00 179.01 177.90 1jub n ALA 205 N -2.23 2.84 -3.84 2.92 0.00 -1.11 -4.93 120.51 114.17 1jub n ALA 205 Ca -0.08 -0.23 -0.28 0.00 0.00 0.00 0.00 53.44 52.85 1jub n ALA 205 Cb 0.15 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.32 1jub n ALA 205 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1jub n GLU 206 N -1.32 -5.94 -4.10 0.00 1.02 0.99 -4.96 120.64 106.32 1jub n GLU 206 Ca 0.09 0.64 -0.09 0.00 -0.02 0.00 0.00 57.16 57.79 1jub n GLU 206 Cb 0.32 -5.54 -0.10 0.00 -0.02 0.00 0.00 31.44 26.10 1jub n GLU 206 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1jub s SER 207 N -3.41 0.35 0.93 1.62 0.01 -1.02 -4.98 113.70 107.20 1jub s SER 207 Ca 0.59 -1.09 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 1jub s SER 207 Cb -0.29 0.27 0.15 0.00 0.21 0.00 0.00 66.02 66.36 1jub s SER 207 CO 0.81 -0.69 1.16 0.68 0.41 0.00 0.00 173.24 175.60 1jub s VAL 208 N -3.99 1.97 -0.99 3.43 -7.23 -1.26 -0.52 120.40 111.81 1jub s VAL 208 Ca 0.17 0.00 0.09 0.00 -1.81 0.00 0.00 61.98 60.43 1jub s VAL 208 Cb 0.07 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.26 1jub s VAL 208 CO -0.03 0.00 0.68 1.33 -0.31 0.00 0.00 175.10 176.78 1jub n VAL 209 N -3.79 0.00 -4.57 1.32 0.24 -1.22 -4.73 118.33 105.58 1jub n VAL 209 Ca 0.08 -0.45 -0.24 0.00 -2.04 0.00 0.00 64.34 61.69 1jub n VAL 209 Cb 0.59 1.15 -0.14 0.00 -1.47 0.00 0.00 33.84 33.97 1jub n VAL 209 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1jub s ILE 210 N -1.07 1.54 -0.01 1.34 -4.36 -1.26 -4.81 121.20 112.56 1jub s ILE 210 Ca 0.09 -1.15 -0.23 0.00 -0.26 0.00 0.00 60.65 59.10 1jub s ILE 210 Cb 0.08 -1.35 -0.19 0.00 1.25 0.00 0.00 42.46 42.25 1jub s ILE 210 CO 0.18 0.16 1.20 0.50 0.24 0.00 0.00 174.94 177.22 1jub h LYS 211 N 4.88 0.21 -7.27 0.37 1.63 -0.89 -3.17 116.57 112.33 1jub h LYS 211 Ca -0.41 -0.14 -0.52 0.00 -0.85 0.00 0.00 60.65 58.72 1jub h LYS 211 Cb 1.16 0.02 0.15 0.00 -0.60 0.00 0.00 32.23 32.96 1jub h LYS 211 CO 0.44 0.76 0.31 -1.25 -3.45 0.00 0.00 179.45 176.26 1jub s PRO 212 N -3.83 2.02 -1.67 1.90 0.05 -1.26 -3.85 135.00 128.36 1jub s PRO 212 Ca -0.15 1.36 -0.15 0.00 0.05 0.00 0.00 61.00 62.10 1jub s PRO 212 Cb 0.03 -1.86 0.13 0.00 0.05 0.00 0.00 34.50 32.85 1jub s PRO 212 CO 0.73 -1.85 0.65 1.63 0.05 0.00 0.00 177.00 178.22 1jub n LYS 213 N -3.45 -2.71 -2.68 4.56 5.02 -1.26 -1.32 118.16 116.33 1jub n LYS 213 Ca 0.10 0.33 -0.16 0.00 -2.02 0.00 0.00 58.31 56.56 1jub n LYS 213 Cb 0.52 -4.86 -0.00 0.00 -0.02 0.00 0.00 35.03 30.67 1jub n LYS 213 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1jub n ASP 214 N -2.70 -4.12 0.00 4.39 8.00 -1.25 -1.69 116.55 119.18 1jub n ASP 214 Ca -0.00 0.03 0.00 0.00 0.71 0.00 0.00 54.79 55.52 1jub n ASP 214 Cb 0.53 -3.46 0.00 0.00 -0.02 0.00 0.00 41.12 38.17 1jub n ASP 214 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1jub n GLY 215 N -0.95 0.90 3.72 0.44 0.00 -0.43 -4.91 105.19 103.96 1jub n GLY 215 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 1jub n GLY 215 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jub s PHE 216 N -2.44 3.67 0.27 1.61 0.40 -0.68 -4.42 117.98 116.39 1jub s PHE 216 Ca 0.00 1.65 -0.16 0.00 -0.60 0.00 0.00 56.93 57.82 1jub s PHE 216 Cb 0.00 -3.17 0.01 0.00 0.51 0.00 0.00 43.02 40.37 1jub s PHE 216 CO 0.00 -0.25 0.59 0.20 0.70 0.00 0.00 175.22 176.47 1jub s GLY 217 N 0.47 0.30 0.20 4.36 0.00 -0.28 -4.70 107.32 107.67 1jub s GLY 217 Ca 0.51 -0.66 -0.30 0.00 0.00 0.00 0.00 44.72 44.27 1jub s GLY 217 CO 0.30 -0.40 1.20 -0.32 0.00 0.00 0.00 173.10 173.88 1jub s GLY 218 N -2.99 2.71 -0.17 0.20 0.00 0.95 -0.03 107.32 108.00 1jub s GLY 218 Ca 0.18 0.97 -0.09 0.00 0.00 0.00 0.00 44.72 45.78 1jub s GLY 218 CO 0.09 1.83 0.13 -0.42 0.00 0.00 0.00 173.10 174.73 1jub s ILE 219 N -0.21 5.38 0.31 0.90 -1.09 0.16 -1.67 121.20 124.99 1jub s ILE 219 Ca 0.52 0.18 0.03 0.00 -2.23 0.00 0.00 60.65 59.15 1jub s ILE 219 Cb -0.33 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1jub s ILE 219 CO 0.38 0.50 0.16 -0.83 -1.23 0.00 0.00 174.94 173.91 1jub s GLY 220 N -0.08 2.10 0.00 6.18 0.00 -0.65 -1.57 107.32 113.29 1jub s GLY 220 Ca 0.10 -1.74 0.00 0.00 0.00 0.00 0.00 44.72 43.08 1jub s GLY 220 CO 0.00 -1.61 0.00 0.61 0.00 0.00 0.00 173.10 172.10 1jub n GLY 221 N -0.61 -1.33 0.36 0.20 0.00 -1.26 -1.65 105.19 100.90 1jub n GLY 221 Ca 0.01 -1.79 0.15 0.00 0.00 0.00 0.00 46.02 44.39 1jub n GLY 221 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jub h ALA 222 N 0.00 2.23 -0.94 4.61 0.00 -1.50 -1.60 119.26 122.07 1jub h ALA 222 Ca 0.00 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 55.06 1jub h ALA 222 Cb 0.00 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.69 1jub h ALA 222 CO 0.00 -0.36 0.60 1.88 0.00 0.00 0.00 179.25 181.37 1jub h TYR 223 N 0.19 0.86 -0.11 0.00 0.05 -1.58 -3.03 116.97 113.35 1jub h TYR 223 Ca 0.24 0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.05 1jub h TYR 223 Cb 0.70 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.17 1jub h TYR 223 CO -0.00 0.27 0.00 0.44 -1.05 0.00 0.00 178.16 177.82 1jub n ILE 224 N -4.60 0.12 -0.26 -2.88 -5.35 -0.60 -4.61 119.36 101.18 1jub n ILE 224 Ca 0.19 -0.56 -0.02 0.00 -0.27 0.00 0.00 62.75 62.09 1jub n ILE 224 Cb 0.53 1.33 0.10 0.00 -1.74 0.00 0.00 39.64 39.86 1jub n ILE 224 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 1jub h LYS 225 N 4.20 0.82 -0.93 6.28 3.64 -1.55 0.88 116.57 129.91 1jub h LYS 225 Ca 0.00 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.40 1jub h LYS 225 Cb 0.91 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.47 1jub h LYS 225 CO 0.00 0.54 0.58 -1.35 -2.27 0.00 0.00 179.45 176.96 1jub h PRO 226 N 0.85 1.01 -0.30 1.90 0.11 -1.82 0.77 132.00 134.51 1jub h PRO 226 Ca 0.31 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 66.26 1jub h PRO 226 Cb 0.10 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 1jub h PRO 226 CO -0.15 0.67 -0.19 1.15 -0.21 0.00 0.00 178.00 179.27 1jub h THR 227 N 1.04 1.30 -0.03 -1.15 2.02 -1.67 -2.08 112.91 112.33 1jub h THR 227 Ca 0.41 -1.32 -0.00 0.00 0.77 0.00 0.00 66.41 66.27 1jub h THR 227 Cb 0.21 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1jub h THR 227 CO -0.19 0.42 0.02 0.00 0.37 0.00 0.00 175.52 176.14 1jub h ALA 228 N 0.74 0.04 -0.77 6.16 0.00 -0.16 -1.20 119.26 124.07 1jub h ALA 228 Ca 0.06 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1jub h ALA 228 Cb 0.73 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.47 1jub h ALA 228 CO 0.05 -0.43 0.51 -0.07 0.00 0.00 0.00 179.25 179.32 1jub h LEU 229 N -0.02 0.88 -0.78 0.00 3.38 -0.90 -1.30 115.31 116.58 1jub h LEU 229 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1jub h LEU 229 Cb 0.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1jub h LEU 229 CO -0.00 0.63 0.44 0.00 0.09 0.00 0.00 178.44 179.60 1jub h ALA 230 N 1.29 0.99 -0.37 1.53 0.00 -1.13 -0.09 119.26 121.48 1jub h ALA 230 Ca 0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1jub h ALA 230 Cb -0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 1jub h ALA 230 CO -0.07 0.49 -0.03 -0.91 0.00 0.00 0.00 179.25 178.74 1jub h ASN 231 N 1.07 0.66 -0.18 0.00 2.35 -0.75 0.18 115.58 118.91 1jub h ASN 231 Ca 0.27 -0.33 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1jub h ASN 231 Cb 0.02 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1jub h ASN 231 CO -0.05 0.83 0.12 0.58 -1.65 0.00 0.00 177.43 177.26 1jub h VAL 232 N 0.48 1.06 -0.32 2.81 2.07 -1.00 -1.90 116.25 119.45 1jub h VAL 232 Ca 0.10 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1jub h VAL 232 Cb 0.51 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1jub h VAL 232 CO 0.03 0.06 0.04 -0.09 0.02 0.00 0.00 177.57 177.62 1jub h ARG 233 N 0.23 0.54 -0.90 1.57 9.65 -0.89 -0.50 114.38 124.07 1jub h ARG 233 Ca 0.07 -0.15 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 1jub h ARG 233 Cb -0.00 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.48 1jub h ARG 233 CO -0.01 0.64 0.57 0.00 2.80 0.00 0.00 179.97 183.97 1jub h ALA 234 N 0.87 1.31 0.01 2.80 0.00 -0.56 -2.13 119.26 121.57 1jub h ALA 234 Ca 0.10 -0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 1jub h ALA 234 Cb 0.38 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1jub h ALA 234 CO 0.01 0.62 -0.91 0.74 0.00 0.00 0.00 179.25 179.71 1jub h PHE 235 N 1.23 0.39 -0.71 0.00 0.04 -1.25 -3.11 116.94 113.53 1jub h PHE 235 Ca 0.33 -0.22 0.02 0.00 2.80 0.00 0.00 57.97 60.90 1jub h PHE 235 Cb -0.10 -0.04 -0.04 0.00 2.20 0.00 0.00 35.95 37.97 1jub h PHE 235 CO 0.00 1.04 0.47 -0.92 -0.60 0.00 0.00 178.31 178.30 1jub h TYR 236 N 0.14 0.87 -0.01 -0.55 3.20 -0.46 0.23 116.97 120.40 1jub h TYR 236 Ca -0.06 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1jub h TYR 236 Cb 1.54 -0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.52 1jub h TYR 236 CO 0.04 0.53 -0.08 0.25 -1.64 0.00 0.00 178.16 177.26 1jub n THR 237 N -4.44 0.00 -0.01 1.81 -2.24 -0.89 -4.21 114.28 104.31 1jub n THR 237 Ca 0.08 -0.14 -0.01 0.00 -2.27 0.00 0.00 64.05 61.72 1jub n THR 237 Cb 0.07 0.17 -0.02 0.00 -2.10 0.00 0.00 70.33 68.45 1jub n THR 237 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jub n ARG 238 N -0.46 2.91 -2.67 -0.78 1.74 -0.59 -5.05 116.66 111.75 1jub n ARG 238 Ca 0.17 -0.01 -0.36 0.00 -0.77 0.00 0.00 57.85 56.89 1jub n ARG 238 Cb 0.30 -1.06 -0.05 0.00 -1.02 0.00 0.00 32.46 30.62 1jub n ARG 238 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1jub s LEU 239 N -3.98 4.13 0.54 0.55 1.43 0.72 -4.92 118.68 117.16 1jub s LEU 239 Ca -0.01 1.89 -0.21 0.00 -1.03 0.00 0.00 54.13 54.78 1jub s LEU 239 Cb 0.01 -4.25 -0.05 0.00 0.03 0.00 0.00 46.19 41.93 1jub s LEU 239 CO 0.10 -0.37 1.22 -1.59 0.23 0.00 0.00 176.35 175.95 1jub s LYS 240 N -2.58 3.24 0.63 1.70 -2.85 -1.26 -4.87 119.74 113.75 1jub s LYS 240 Ca 0.57 1.88 0.31 0.00 -1.00 0.00 0.00 55.97 57.74 1jub s LYS 240 Cb -0.18 -2.13 1.70 0.00 -2.06 0.00 0.00 37.83 35.17 1jub s LYS 240 CO 0.23 -1.00 2.02 -1.00 0.10 0.00 0.00 175.35 175.69 1jub h PRO 241 N 1.34 0.00 0.00 1.78 0.13 -1.95 -1.23 132.00 132.07 1jub h PRO 241 Ca -0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 1jub h PRO 241 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.41 1jub h PRO 241 CO 0.57 0.00 -0.13 0.93 -0.23 0.00 0.00 178.00 179.14 1jub h GLU 242 N 0.00 0.00 -4.46 0.86 3.07 -1.93 -3.38 114.58 108.73 1jub h GLU 242 Ca 0.07 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.20 1jub h GLU 242 Cb 0.65 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.34 1jub h GLU 242 CO -0.00 0.13 -0.41 0.42 -1.40 0.00 0.00 179.01 177.75 1jub s ILE 243 N -4.22 5.21 0.85 3.13 1.01 -0.47 -4.73 121.20 121.99 1jub s ILE 243 Ca -0.03 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 1jub s ILE 243 Cb 0.13 -3.95 0.15 0.00 0.01 0.00 0.00 42.46 38.81 1jub s ILE 243 CO 0.60 -0.36 1.19 -1.10 0.00 0.00 0.00 174.94 175.26 1jub s GLN 244 N 1.66 1.24 0.01 2.79 -0.21 -0.72 -4.76 119.66 119.67 1jub s GLN 244 Ca 0.05 -0.50 0.05 0.00 0.02 0.00 0.00 55.36 54.97 1jub s GLN 244 Cb -0.20 -2.02 -0.02 0.00 1.00 0.00 0.00 33.01 31.78 1jub s GLN 244 CO 0.09 -1.94 -0.15 0.42 -2.12 0.00 0.00 175.29 171.59 1jub s ILE 245 N -3.59 1.21 -0.17 1.08 1.01 -1.26 -1.49 121.20 117.99 1jub s ILE 245 Ca 0.69 -0.79 -0.03 0.00 0.00 0.00 0.00 60.65 60.52 1jub s ILE 245 Cb -0.06 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.35 1jub s ILE 245 CO 0.49 0.24 -0.05 -0.63 0.00 0.00 0.00 174.94 174.99 1jub s ILE 246 N -0.52 3.60 -0.18 2.92 1.01 0.04 -0.25 121.20 127.82 1jub s ILE 246 Ca 0.05 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 60.12 1jub s ILE 246 Cb -0.07 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.77 1jub s ILE 246 CO 0.00 0.47 0.29 -0.83 0.00 0.00 0.00 174.94 174.87 1jub s GLY 247 N 0.72 2.16 -0.02 6.18 0.00 0.07 -1.71 107.32 114.72 1jub s GLY 247 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 44.72 44.18 1jub s GLY 247 CO 0.02 0.47 0.01 -1.59 0.00 0.00 0.00 173.10 172.01 1jub s THR 248 N 0.66 0.06 0.00 0.90 2.01 0.71 -1.01 115.64 118.97 1jub s THR 248 Ca 0.15 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.24 1jub s THR 248 Cb -0.13 -0.14 0.00 0.00 0.01 0.00 0.00 72.50 72.24 1jub s THR 248 CO 0.04 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.66 1jub n GLY 249 N 3.77 3.16 2.33 4.40 0.00 -1.26 -0.51 105.19 117.09 1jub n GLY 249 Ca -0.22 -0.58 -0.12 0.00 0.00 0.00 0.00 46.02 45.10 1jub n GLY 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jub n GLY 250 N 0.00 1.24 3.58 -0.02 0.00 -1.23 -4.49 105.19 104.26 1jub n GLY 250 Ca 0.00 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1jub n GLY 250 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jub s ILE 251 N -2.43 4.74 0.00 -0.61 1.01 -1.26 -4.74 121.20 117.90 1jub s ILE 251 Ca 0.00 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1jub s ILE 251 Cb 0.00 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.26 1jub s ILE 251 CO 0.00 -0.47 0.00 1.21 0.00 0.00 0.00 174.94 175.68 1jub n GLU 252 N 6.42 0.82 -4.44 2.79 2.13 -1.26 -4.56 120.64 122.55 1jub n GLU 252 Ca 0.02 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.58 1jub n GLU 252 Cb 0.48 -0.71 -0.10 0.00 0.27 0.00 0.00 31.44 31.39 1jub n GLU 252 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1jub s THR 253 N -1.41 2.22 0.46 6.31 -4.23 -1.26 -4.86 115.64 112.87 1jub s THR 253 Ca 0.00 -1.95 0.12 0.00 -1.18 0.00 0.00 61.69 58.68 1jub s THR 253 Cb 0.00 -2.91 0.25 0.00 1.34 0.00 0.00 72.50 71.18 1jub s THR 253 CO 0.00 -0.07 2.08 1.23 -0.54 0.00 0.00 174.62 177.32 1jub h GLY 254 N 1.73 0.23 1.03 3.99 0.00 -1.85 -1.55 103.07 106.64 1jub h GLY 254 Ca -0.43 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 46.73 1jub h GLY 254 CO 0.74 0.09 0.06 -1.61 0.00 0.00 0.00 176.54 175.82 1jub h GLN 255 N 0.22 0.95 -0.68 4.80 4.15 -1.94 0.82 115.11 123.43 1jub h GLN 255 Ca 0.06 -0.27 -0.03 0.00 0.77 0.00 0.00 58.65 59.18 1jub h GLN 255 Cb 0.05 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 1jub h GLN 255 CO -0.01 0.93 0.33 -0.44 -1.93 0.00 0.00 178.83 177.70 1jub h ASP 256 N 0.83 0.90 -0.27 -0.69 3.32 -1.66 -0.90 116.42 117.96 1jub h ASP 256 Ca 0.17 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.07 1jub h ASP 256 Cb 0.46 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1jub h ASP 256 CO 0.02 0.78 0.12 0.00 -1.72 0.00 0.00 179.24 178.44 1jub h ALA 257 N 1.15 0.35 -0.68 3.45 0.00 -1.09 -2.10 119.26 120.35 1jub h ALA 257 Ca 0.23 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.12 1jub h ALA 257 Cb 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1jub h ALA 257 CO -0.03 -0.08 0.34 0.35 0.00 0.00 0.00 179.25 179.84 1jub h PHE 258 N 0.29 0.61 -0.52 0.00 3.57 -0.49 -0.98 116.94 119.44 1jub h PHE 258 Ca 0.09 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 1jub h PHE 258 Cb 0.15 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.69 1jub h PHE 258 CO -0.01 0.24 0.26 0.93 -2.23 0.00 0.00 178.31 177.49 1jub h GLU 259 N 0.60 0.74 -0.65 1.11 5.08 -0.87 0.33 114.58 120.91 1jub h GLU 259 Ca 0.32 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.56 1jub h GLU 259 Cb 0.31 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 1jub h GLU 259 CO -0.24 0.60 0.33 0.45 -1.00 0.00 0.00 179.01 179.15 1jub h HIS 260 N 0.69 0.91 -0.63 4.33 3.86 -0.76 -1.73 115.15 121.83 1jub h HIS 260 Ca 0.18 -0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 59.27 1jub h HIS 260 Cb 0.10 -0.29 -0.02 0.00 1.06 0.00 0.00 27.41 28.26 1jub h HIS 260 CO -0.01 0.68 0.06 -0.07 0.86 0.00 0.00 177.93 179.45 1jub h LEU 261 N 0.89 1.02 -1.56 2.43 3.38 -0.89 -2.07 115.31 118.51 1jub h LEU 261 Ca 0.22 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1jub h LEU 261 Cb 0.09 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1jub h LEU 261 CO -0.03 1.03 0.19 -0.07 0.09 0.00 0.00 178.44 179.65 1jub h LEU 262 N 0.98 0.43 -0.91 1.67 3.38 -0.58 0.48 115.31 120.76 1jub h LEU 262 Ca 0.19 -0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 1jub h LEU 262 Cb 0.47 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 1jub h LEU 262 CO 0.02 0.35 -0.47 0.00 0.09 0.00 0.00 178.44 178.44 1jub n GLY 264 N 0.17 -0.06 3.76 0.00 0.00 -0.73 -4.32 105.19 104.01 1jub n GLY 264 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1jub n GLY 264 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jub s ALA 265 N -0.73 2.94 -0.20 4.61 0.00 -0.86 -4.58 121.76 122.94 1jub s ALA 265 Ca 0.00 1.07 -0.08 0.00 0.00 0.00 0.00 51.96 52.95 1jub s ALA 265 Cb 0.00 -3.44 -0.10 0.00 0.00 0.00 0.00 23.12 19.58 1jub s ALA 265 CO 0.00 -0.88 -0.24 2.41 0.00 0.00 0.00 175.76 177.05 1jub n THR 266 N -0.62 1.13 -4.12 0.00 -1.04 0.66 -4.48 114.28 105.80 1jub n THR 266 Ca 0.08 -0.32 -0.23 0.00 -2.04 0.00 0.00 64.05 61.54 1jub n THR 266 Cb 0.47 -1.64 -0.05 0.00 -1.82 0.00 0.00 70.33 67.29 1jub n THR 266 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1jub s MET 267 N -2.38 2.85 -0.04 -2.82 -1.94 -1.16 -4.71 119.30 109.10 1jub s MET 267 Ca -0.28 -1.03 0.02 0.00 -1.71 0.00 0.00 55.69 52.68 1jub s MET 267 Cb 0.10 -2.55 0.01 0.00 2.01 0.00 0.00 34.83 34.40 1jub s MET 267 CO 0.38 0.42 -0.08 -0.51 -0.01 0.00 0.00 175.02 175.23 1jub s LEU 268 N -3.60 1.59 -0.01 -0.03 1.43 0.60 -0.75 118.68 117.91 1jub s LEU 268 Ca 0.32 -0.19 0.05 0.00 -1.03 0.00 0.00 54.13 53.28 1jub s LEU 268 Cb -0.08 -0.58 -0.03 0.00 0.03 0.00 0.00 46.19 45.53 1jub s LEU 268 CO 0.24 0.01 -0.16 -1.10 0.23 0.00 0.00 176.35 175.58 1jub s GLN 269 N 0.56 2.33 -0.18 1.70 -0.21 -0.18 -0.57 119.66 123.11 1jub s GLN 269 Ca -0.09 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 54.47 1jub s GLN 269 Cb -0.12 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.59 1jub s GLN 269 CO 0.01 0.59 -0.14 0.42 -2.12 0.00 0.00 175.29 174.05 1jub s ILE 270 N -0.81 2.69 0.00 1.08 1.01 -0.34 -4.14 121.20 120.70 1jub s ILE 270 Ca 0.13 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1jub s ILE 270 Cb -0.11 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.20 1jub s ILE 270 CO 0.03 0.50 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1jub n GLY 271 N 4.40 0.01 0.26 6.18 0.00 -1.26 -1.16 105.19 113.63 1jub n GLY 271 Ca -0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.83 1jub n GLY 271 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jub h THR 272 N 0.00 0.30 -0.57 2.61 2.02 -1.95 -0.44 112.91 114.87 1jub h THR 272 Ca 0.00 -0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1jub h THR 272 Cb 0.00 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.68 1jub h THR 272 CO 0.00 0.00 0.29 0.00 0.37 0.00 0.00 175.52 176.18 1jub h ALA 273 N 1.70 1.45 -0.15 6.16 0.00 -1.89 -1.51 119.26 125.02 1jub h ALA 273 Ca 0.34 -0.10 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 1jub h ALA 273 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1jub h ALA 273 CO -0.72 0.45 -0.56 1.25 0.00 0.00 0.00 179.25 179.67 1jub h LEU 274 N 0.80 0.52 -0.82 0.00 5.85 -1.39 -0.65 115.31 119.61 1jub h LEU 274 Ca 0.20 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 1jub h LEU 274 Cb 0.05 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1jub h LEU 274 CO -0.03 0.97 0.38 -0.74 -0.34 0.00 0.00 178.44 178.68 1jub h HIS 275 N 0.36 1.20 0.16 1.25 2.76 -0.35 0.12 115.15 120.65 1jub h HIS 275 Ca 0.00 -0.06 -0.30 0.00 -2.20 0.00 0.00 60.37 57.81 1jub h HIS 275 Cb 1.08 -0.37 0.02 0.00 1.55 0.00 0.00 27.41 29.70 1jub h HIS 275 CO 0.04 0.87 -1.31 0.87 -1.30 0.00 0.00 177.93 177.11 1jub h LYS 276 N 1.17 0.49 0.00 5.26 1.57 -1.16 -3.39 116.57 120.52 1jub h LYS 276 Ca 0.28 -0.75 -0.16 0.00 -1.87 0.00 0.00 60.65 58.16 1jub h LYS 276 Cb 0.14 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 32.68 1jub h LYS 276 CO -0.03 1.34 -2.04 -1.91 -0.57 0.00 0.00 179.45 176.24 1jub n GLU 277 N -3.70 0.66 0.00 3.15 2.13 -0.27 -5.11 120.64 117.51 1jub n GLU 277 Ca -0.13 -0.07 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1jub n GLU 277 Cb 1.03 -1.56 0.00 0.00 0.27 0.00 0.00 31.44 31.17 1jub n GLU 277 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1jub n GLY 278 N 1.45 -0.74 0.26 8.31 0.00 0.42 -4.42 105.19 110.47 1jub n GLY 278 Ca -0.15 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.29 1jub n GLY 278 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1jub h PRO 279 N 0.00 0.00 0.00 1.61 0.11 -1.94 -1.77 132.00 130.01 1jub h PRO 279 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1jub h PRO 279 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1jub h PRO 279 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1jub h ALA 280 N 1.37 1.00 -0.52 -0.75 0.00 -1.97 -2.64 119.26 115.75 1jub h ALA 280 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.95 1jub h ALA 280 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 1jub h ALA 280 CO 0.00 0.00 0.35 0.97 0.00 0.00 0.00 179.25 180.57 1jub h ILE 281 N 0.00 1.03 -0.48 0.00 2.10 -1.57 -2.74 117.51 115.85 1jub h ILE 281 Ca 0.00 -0.19 -0.00 0.00 1.08 0.00 0.00 64.86 65.75 1jub h ILE 281 Cb 0.17 0.43 -0.02 0.00 -1.09 0.00 0.00 36.82 36.30 1jub h ILE 281 CO 0.00 0.10 0.29 -0.26 -1.08 0.00 0.00 178.15 177.21 1jub h PHE 282 N 0.55 0.63 -0.71 2.19 0.04 -1.73 0.51 116.94 118.43 1jub h PHE 282 Ca 0.22 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 1jub h PHE 282 Cb 0.17 -0.21 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 1jub h PHE 282 CO -0.00 0.43 0.25 0.22 -0.60 0.00 0.00 178.31 178.62 1jub h ASP 283 N 0.64 1.01 0.14 2.17 3.58 -1.69 -1.28 116.42 121.00 1jub h ASP 283 Ca 0.17 -0.19 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 1jub h ASP 283 Cb -0.02 -0.26 0.00 0.00 1.72 0.00 0.00 39.33 40.77 1jub h ASP 283 CO -0.03 0.93 -0.07 -0.09 -2.88 0.00 0.00 179.24 177.10 1jub h ARG 284 N 1.03 -0.19 -0.05 0.28 2.43 -1.28 -2.60 114.38 114.00 1jub h ARG 284 Ca 0.23 0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.33 1jub h ARG 284 Cb 0.26 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1jub h ARG 284 CO -0.01 0.02 -0.36 0.97 -1.51 0.00 0.00 179.97 179.07 1jub h ILE 285 N -0.36 1.28 -0.34 1.20 2.10 -0.85 -1.55 117.51 118.98 1jub h ILE 285 Ca -0.02 -1.33 -0.02 0.00 1.08 0.00 0.00 64.86 64.57 1jub h ILE 285 Cb 0.29 1.65 -0.01 0.00 -1.09 0.00 0.00 36.82 37.65 1jub h ILE 285 CO 0.03 0.39 0.12 0.40 -1.08 0.00 0.00 178.15 178.01 1jub h ILE 286 N 0.09 1.20 -0.51 2.19 2.04 -1.20 -0.80 117.51 120.53 1jub h ILE 286 Ca 0.01 -0.62 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 1jub h ILE 286 Cb 0.69 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1jub h ILE 286 CO 0.05 0.22 0.02 0.11 0.00 0.00 0.00 178.15 178.54 1jub h LYS 287 N 0.40 0.84 -0.48 2.37 1.57 -1.15 -0.61 116.57 119.51 1jub h LYS 287 Ca 0.11 -0.22 -0.05 0.00 -1.87 0.00 0.00 60.65 58.61 1jub h LYS 287 Cb 0.22 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1jub h LYS 287 CO -0.01 0.83 0.08 0.93 -0.57 0.00 0.00 179.45 180.72 1jub h GLU 288 N 0.78 0.79 -0.57 3.15 5.08 -1.01 -0.63 114.58 122.17 1jub h GLU 288 Ca 0.15 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.20 1jub h GLU 288 Cb 0.45 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1jub h GLU 288 CO 0.02 0.79 -0.07 1.25 -1.00 0.00 0.00 179.01 180.00 1jub h LEU 289 N 0.66 1.06 -1.08 1.33 5.85 -0.91 -2.15 115.31 120.07 1jub h LEU 289 Ca 0.15 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1jub h LEU 289 Cb 0.38 -0.29 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1jub h LEU 289 CO 0.01 1.14 0.17 -0.33 -0.34 0.00 0.00 178.44 179.09 1jub h GLU 290 N 0.95 0.83 -0.61 1.25 5.08 -0.90 -1.29 114.58 119.89 1jub h GLU 290 Ca 0.15 -0.15 -0.07 0.00 -1.00 0.00 0.00 59.36 58.30 1jub h GLU 290 Cb 0.64 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1jub h GLU 290 CO 0.04 0.72 0.12 1.49 -1.00 0.00 0.00 179.01 180.39 1jub h GLU 291 N 0.81 1.00 -0.46 2.33 4.57 -0.81 0.79 114.58 122.81 1jub h GLU 291 Ca 0.19 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1jub h GLU 291 Cb 0.24 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.68 1jub h GLU 291 CO -0.01 0.92 0.23 0.82 -1.18 0.00 0.00 179.01 179.79 1jub h ILE 292 N 0.90 1.18 -0.43 2.32 2.04 -0.93 -1.49 117.51 121.09 1jub h ILE 292 Ca 0.19 -0.48 -0.04 0.00 1.00 0.00 0.00 64.86 65.53 1jub h ILE 292 Cb 0.39 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 1jub h ILE 292 CO 0.01 0.19 0.12 0.24 0.00 0.00 0.00 178.15 178.71 1jub h MET 293 N 0.59 0.68 -0.80 2.37 2.86 -0.97 -2.46 114.93 117.21 1jub h MET 293 Ca 0.16 -0.15 0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1jub h MET 293 Cb 0.09 -0.10 -0.05 0.00 0.06 0.00 0.00 31.60 31.61 1jub h MET 293 CO -0.02 0.68 0.51 -0.91 1.06 0.00 0.00 176.91 178.23 1jub h ASN 294 N 0.56 0.85 -0.24 1.22 2.35 -0.61 0.21 115.58 119.93 1jub h ASN 294 Ca 0.14 -0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.85 1jub h ASN 294 Cb 0.29 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 1jub h ASN 294 CO -0.00 0.59 0.07 1.56 -1.65 0.00 0.00 177.43 178.00 1jub h GLN 295 N 1.00 0.47 -0.01 0.81 1.08 -1.07 -2.04 115.11 115.35 1jub h GLN 295 Ca 0.32 -0.07 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 1jub h GLN 295 Cb 0.01 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.35 1jub h GLN 295 CO -0.11 0.44 -0.19 1.63 -0.95 0.00 0.00 178.83 179.65 1jub n LYS 296 N -4.35 1.14 -1.31 1.46 5.02 -0.72 -4.94 118.16 114.46 1jub n LYS 296 Ca 0.02 -0.70 -0.03 0.00 -2.02 0.00 0.00 58.31 55.58 1jub n LYS 296 Cb 0.18 -1.49 -0.01 0.00 -0.02 0.00 0.00 35.03 33.70 1jub n LYS 296 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1jub n GLY 297 N 1.30 0.51 3.80 0.72 0.00 0.13 -5.03 105.19 106.62 1jub n GLY 297 Ca 0.14 -0.91 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 1jub n GLY 297 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jub s TYR 298 N -2.11 3.64 -0.55 1.61 2.02 0.52 -4.97 117.35 117.51 1jub s TYR 298 Ca 0.00 0.91 0.06 0.00 -0.37 0.00 0.00 57.07 57.67 1jub s TYR 298 Cb 0.00 -2.35 -0.00 0.00 -0.40 0.00 0.00 41.96 39.21 1jub s TYR 298 CO 0.00 0.48 0.49 1.04 -1.57 0.00 0.00 175.55 175.99 1jub n GLN 299 N 2.48 2.33 -3.80 -0.62 6.02 -1.26 -4.16 117.38 118.37 1jub n GLN 299 Ca -0.12 -0.47 -0.12 0.00 -0.01 0.00 0.00 57.00 56.27 1jub n GLN 299 Cb 0.52 -0.96 -0.09 0.00 1.02 0.00 0.00 30.24 30.73 1jub n GLN 299 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1jub s SER 300 N -1.00 -0.12 0.55 1.08 0.15 -1.26 -4.32 113.70 108.77 1jub s SER 300 Ca 0.05 0.02 0.26 0.00 0.70 0.00 0.00 55.95 56.98 1jub s SER 300 Cb 0.05 0.29 1.57 0.00 -1.71 0.00 0.00 66.02 66.22 1jub s SER 300 CO 0.15 -0.39 2.16 0.40 1.20 0.00 0.00 173.24 176.76 1jub h ILE 301 N 4.08 0.64 0.00 6.45 2.04 -1.86 -0.92 117.51 127.94 1jub h ILE 301 Ca -0.30 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 1jub h ILE 301 Cb 1.18 1.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.42 1jub h ILE 301 CO 0.40 0.06 -0.02 0.00 0.00 0.00 0.00 178.15 178.59 1jub h ALA 302 N 1.94 1.24 0.00 1.87 0.00 -1.93 0.17 119.26 122.55 1jub h ALA 302 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jub h ALA 302 Cb 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1jub h ALA 302 CO 0.01 0.02 0.00 -0.44 0.00 0.00 0.00 179.25 178.84 1jub h ASP 303 N 0.00 0.00 0.00 0.00 3.32 -1.58 -3.32 116.42 114.84 1jub h ASP 303 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1jub h ASP 303 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 1jub h ASP 303 CO 0.00 0.00 0.00 2.22 -1.72 0.00 0.00 179.24 179.74 1jub n PHE 304 N -2.81 0.00 -1.68 4.55 -1.74 -0.67 -5.01 117.46 110.09 1jub n PHE 304 Ca -0.01 0.00 -0.51 0.00 -0.56 0.00 0.00 57.45 56.38 1jub n PHE 304 Cb 0.18 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 41.13 1jub n PHE 304 CO 0.00 0.00 0.00 1.58 -0.56 0.00 0.00 176.76 177.78 1jub n HIS 305 N 0.00 2.17 -1.02 2.97 -0.00 0.52 -1.39 115.22 118.47 1jub n HIS 305 Ca 0.00 0.24 -0.01 0.00 0.46 0.00 0.00 57.72 58.41 1jub n HIS 305 Cb 0.12 -2.56 -0.00 0.00 -0.12 0.00 0.00 29.99 27.43 1jub n HIS 305 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1jub n GLY 306 N 3.98 0.21 1.17 1.57 0.00 0.08 -4.88 105.19 107.32 1jub n GLY 306 Ca 0.22 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.24 1jub n GLY 306 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1jub n LYS 307 N -0.25 2.53 -1.65 1.61 5.02 -0.48 -4.78 118.16 120.16 1jub n LYS 307 Ca -0.01 -1.36 -0.47 0.00 -2.02 0.00 0.00 58.31 54.45 1jub n LYS 307 Cb 0.37 -1.79 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 1jub n LYS 307 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 1jub n LEU 308 N 0.20 2.73 -4.86 -0.35 7.94 -0.81 -4.93 117.00 116.91 1jub n LEU 308 Ca 0.14 1.10 -0.37 0.00 -1.11 0.00 0.00 56.01 55.77 1jub n LEU 308 Cb 0.71 -1.37 -0.06 0.00 0.53 0.00 0.00 43.42 43.24 1jub n LEU 308 CO 0.16 -0.52 -0.07 -0.54 -1.11 0.00 0.00 177.39 175.31 1jub s LYS 309 N 0.56 3.62 0.46 1.96 1.02 -1.26 -5.06 119.74 121.04 1jub s LYS 309 Ca 0.78 0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.83 1jub s LYS 309 Cb -0.74 -3.20 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 1jub s LYS 309 CO 0.42 0.74 0.69 -1.12 -0.92 0.00 0.00 175.35 175.16 1jub s SER 310 N -1.03 5.88 0.00 2.83 0.01 -1.26 -5.24 113.70 114.89 1jub s SER 310 Ca 0.18 0.38 0.28 0.00 1.31 0.00 0.00 55.95 58.10 1jub s SER 310 Cb -0.14 -1.64 0.99 0.00 0.21 0.00 0.00 66.02 65.44 1jub s SER 310 CO 0.07 -0.69 1.71 0.18 0.41 0.00 0.00 173.24 174.92