#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jri n GLU 2 N 0.00 0.00 -2.15 2.12 4.71 -1.26 -4.98 120.64 119.08 2jri n GLU 2 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 57.16 56.75 2jri n GLU 2 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 31.44 30.40 2jri n GLU 2 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2jri s SER 3 N -0.14 5.59 -0.02 1.62 0.01 -1.26 -4.95 113.70 114.54 2jri s SER 3 Ca 0.00 0.38 0.02 0.00 1.31 0.00 0.00 55.95 57.67 2jri s SER 3 Cb 0.00 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2jri s SER 3 CO 0.00 -2.12 -0.08 -0.63 0.41 0.00 0.00 173.24 170.83 2jri s ILE 4 N 7.92 0.69 -1.21 1.44 1.01 -1.26 -3.40 121.20 126.39 2jri s ILE 4 Ca 0.63 -0.31 -0.21 0.00 0.00 0.00 0.00 60.65 60.76 2jri s ILE 4 Cb -0.13 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.72 2jri s ILE 4 CO 0.23 0.22 1.80 -0.36 0.00 0.00 0.00 174.94 176.83 2jri s PHE 5 N 0.20 2.38 -0.90 3.97 0.40 -1.26 -4.80 117.98 117.97 2jri s PHE 5 Ca -0.03 -0.62 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 2jri s PHE 5 Cb -0.08 -4.42 0.31 0.00 0.51 0.00 0.00 43.02 39.35 2jri s PHE 5 CO 0.00 -1.58 1.44 1.58 0.70 0.00 0.00 175.22 177.36 2jri n HIS 6 N 11.09 3.02 -1.71 0.36 -0.00 -1.26 -4.56 115.22 122.17 2jri n HIS 6 Ca 0.45 -3.05 -0.42 0.00 0.46 0.00 0.00 57.72 55.16 2jri n HIS 6 Cb 0.47 -0.99 -0.03 0.00 -0.12 0.00 0.00 29.99 29.32 2jri n HIS 6 CO 0.00 0.00 0.00 -1.21 0.46 0.00 0.00 176.34 175.59 2jri s GLU 7 N -3.60 4.14 -0.19 1.57 0.41 -1.26 -4.97 118.70 114.80 2jri s GLU 7 Ca 0.39 2.58 -0.04 0.00 -0.41 0.00 0.00 54.97 57.50 2jri s GLU 7 Cb 0.17 -4.04 -0.02 0.00 -1.78 0.00 0.00 34.13 28.46 2jri s GLU 7 CO -0.06 -0.93 -0.04 0.21 -0.49 0.00 0.00 175.26 173.95 2jri s LYS 8 N 4.11 3.48 0.10 1.61 2.47 -1.26 -4.91 119.74 125.34 2jri s LYS 8 Ca 0.86 -0.59 0.00 0.00 -1.56 0.00 0.00 55.97 54.68 2jri s LYS 8 Cb -0.43 -2.96 -0.04 0.00 -1.46 0.00 0.00 37.83 32.95 2jri s LYS 8 CO 0.40 -0.02 -0.01 1.14 0.16 0.00 0.00 175.35 177.02 2jri s GLN 9 N 1.03 0.82 0.08 4.03 0.00 -1.26 -5.17 119.66 119.18 2jri s GLN 9 Ca 0.01 -1.35 -0.07 0.00 -0.00 0.00 0.00 55.36 53.94 2jri s GLN 9 Cb -0.15 0.05 -0.01 0.00 0.00 0.00 0.00 33.01 32.91 2jri s GLN 9 CO 0.00 -0.13 0.15 -1.21 0.00 0.00 0.00 175.29 174.10 2jri s GLU 10 N -3.93 0.79 -0.29 9.60 2.02 -1.26 -4.93 118.70 120.70 2jri s GLU 10 Ca 0.15 -0.99 -0.02 0.00 0.02 0.00 0.00 54.97 54.13 2jri s GLU 10 Cb 0.07 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.62 2jri s GLU 10 CO -0.04 -0.24 0.30 0.41 0.02 0.00 0.00 175.26 175.72 2jri n GLY 11 N 0.01 -0.79 7.00 -1.39 0.00 -1.26 -4.89 105.19 103.87 2jri n GLY 11 Ca -0.15 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.09 2jri n GLY 11 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jri n SER 12 N -1.07 -4.59 -2.26 1.61 7.64 -1.26 -4.89 113.62 108.79 2jri n SER 12 Ca 0.02 0.00 -0.20 0.00 1.01 0.00 0.00 58.87 59.70 2jri n SER 12 Cb 0.41 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.59 2jri n SER 12 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2jri n LEU 13 N 0.00 -1.77 0.07 -3.43 7.99 -0.61 -4.84 117.00 114.40 2jri n LEU 13 Ca 0.00 0.10 0.09 0.00 -0.01 0.00 0.00 56.01 56.19 2jri n LEU 13 Cb 0.00 -2.83 0.39 0.00 -0.11 0.00 0.00 43.42 40.87 2jri n LEU 13 CO 0.00 -0.35 0.78 0.00 -1.51 0.00 0.00 177.39 176.31 2jri h ALA 15 N 2.35 1.43 -0.03 0.00 0.00 -1.93 -1.43 119.26 119.65 2jri h ALA 15 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2jri h ALA 15 Cb 0.28 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jri h ALA 15 CO 0.00 0.34 0.00 0.94 0.00 0.00 0.00 179.25 180.53 2jri n GLN 16 N -4.04 1.11 0.01 0.00 0.00 -1.00 -2.99 117.38 110.48 2jri n GLN 16 Ca -0.02 -0.12 -0.02 0.00 -0.00 0.00 0.00 57.00 56.85 2jri n GLN 16 Cb 0.33 -1.29 -0.01 0.00 0.00 0.00 0.00 30.24 29.28 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.06 178.64 2jri n HIS 17 N -0.18 0.00 -0.34 3.69 -0.00 -0.55 -4.20 115.22 113.63 2jri n HIS 17 Ca 0.01 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.21 2jri n HIS 17 Cb 0.16 -0.11 0.16 0.00 -0.12 0.00 0.00 29.99 30.08 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri h LEU 19 N 1.08 -0.05 -0.48 0.00 5.85 -1.83 -2.56 115.31 117.33 2jri h LEU 19 Ca 0.41 -0.59 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 2jri h LEU 19 Cb 0.18 0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2jri h LEU 19 CO -0.18 0.60 0.26 -1.13 -0.34 0.00 0.00 178.44 177.66 2jri h ASN 20 N -0.74 0.61 0.53 1.25 -0.73 -1.69 0.45 115.58 115.27 2jri h ASN 20 Ca -0.01 -0.10 -0.05 0.00 1.87 0.00 0.00 56.30 58.02 2jri h ASN 20 Cb 0.64 -0.15 -0.01 0.00 0.27 0.00 0.00 38.32 39.07 2jri h ASN 20 CO 0.01 0.53 -0.24 0.78 -0.37 0.00 0.00 177.43 178.14 2jri h ASN 21 N 0.64 0.00 0.04 1.15 -0.26 -0.65 0.13 115.58 116.63 2jri h ASN 21 Ca 0.17 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.83 2jri h ASN 21 Cb 0.06 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 37.33 2jri h ASN 21 CO -0.03 0.24 -0.33 0.25 -1.06 0.00 0.00 177.43 176.50 2jri h LEU 22 N 0.00 0.22 -1.02 1.61 7.12 -0.96 -3.31 115.31 118.98 2jri h LEU 22 Ca -0.00 -0.89 -0.10 0.00 0.13 0.00 0.00 57.88 57.01 2jri h LEU 22 Cb 0.57 -0.07 -0.01 0.00 -0.53 0.00 0.00 40.66 40.62 2jri h LEU 22 CO 0.03 1.10 -0.48 -0.07 -0.13 0.00 0.00 178.44 178.89 2jri h LEU 23 N -0.62 0.00 0.65 2.25 3.38 -0.77 -3.47 115.31 116.73 2jri h LEU 23 Ca -0.05 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.64 2jri h LEU 23 Cb 1.18 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.97 2jri h LEU 23 CO 0.06 0.48 -0.42 0.00 0.09 0.00 0.00 178.44 178.66 2jri n GLN 24 N -3.91 -3.22 0.00 1.13 1.13 0.45 -4.58 117.38 108.38 2jri n GLN 24 Ca -0.01 0.64 0.00 0.00 -1.94 0.00 0.00 57.00 55.68 2jri n GLN 24 Cb 0.51 -4.92 0.00 0.00 0.11 0.00 0.00 30.24 25.94 2jri n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jri n GLY 25 N -1.27 0.65 2.93 1.08 0.00 -1.23 -4.66 105.19 102.70 2jri n GLY 25 Ca -0.09 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.85 2jri n GLY 25 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jri n GLU 26 N -0.01 3.36 -0.09 1.61 1.02 -1.26 -4.59 120.64 120.68 2jri n GLU 26 Ca 0.00 -3.29 -0.09 0.00 -0.02 0.00 0.00 57.16 53.76 2jri n GLU 26 Cb 0.00 -3.07 -0.03 0.00 -0.02 0.00 0.00 31.44 28.32 2jri n GLU 26 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2jri n TYR 27 N 4.90 0.40 -2.53 -0.32 4.01 -1.26 -4.93 117.16 117.43 2jri n TYR 27 Ca 0.43 0.17 -0.42 0.00 -0.16 0.00 0.00 57.90 57.93 2jri n TYR 27 Cb 0.38 -0.65 -0.03 0.00 -0.31 0.00 0.00 39.34 38.73 2jri n TYR 27 CO 0.00 0.00 0.00 0.12 -0.46 0.00 0.00 176.86 176.52 2jri s PHE 28 N -2.61 3.55 0.19 -0.72 5.36 -1.26 -5.04 117.98 117.45 2jri s PHE 28 Ca -0.24 1.49 -0.18 0.00 -0.96 0.00 0.00 56.93 57.04 2jri s PHE 28 Cb 0.04 -3.30 -0.08 0.00 -0.34 0.00 0.00 43.02 39.35 2jri s PHE 28 CO 0.36 -0.74 0.67 0.45 -1.46 0.00 0.00 175.22 174.50 2jri s SER 29 N 0.72 7.01 0.54 6.13 0.15 -1.26 -4.96 113.70 122.02 2jri s SER 29 Ca 0.54 1.32 0.24 0.00 0.70 0.00 0.00 55.95 58.76 2jri s SER 29 Cb -0.27 -2.38 1.42 0.00 -1.71 0.00 0.00 66.02 63.07 2jri s SER 29 CO 0.30 0.07 2.03 -0.65 1.20 0.00 0.00 173.24 176.20 2jri h PRO 30 N 3.56 0.00 0.00 5.44 0.11 -2.00 0.34 132.00 139.44 2jri h PRO 30 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 2jri h PRO 30 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2jri h PRO 30 CO 0.65 0.00 -0.18 -0.24 -0.21 0.00 0.00 178.00 178.02 2jri h VAL 31 N 0.00 0.54 -0.04 3.15 3.04 -2.01 -2.74 116.25 118.18 2jri h VAL 31 Ca 0.19 -0.88 -0.23 0.00 -1.01 0.00 0.00 66.70 64.76 2jri h VAL 31 Cb 0.79 1.60 0.01 0.00 -2.01 0.00 0.00 31.29 31.67 2jri h VAL 31 CO -0.00 0.18 -0.91 -0.33 -1.01 0.00 0.00 177.57 175.50 2jri h GLU 32 N 0.00 0.56 -0.98 4.17 5.08 -1.31 -3.10 114.58 118.99 2jri h GLU 32 Ca -0.00 -0.55 0.13 0.00 -1.00 0.00 0.00 59.36 57.93 2jri h GLU 32 Cb 0.58 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.89 2jri h GLU 32 CO 0.02 1.17 0.61 -0.07 -1.00 0.00 0.00 179.01 179.75 2jri h LEU 33 N 0.34 0.88 -0.29 1.33 3.38 -1.46 0.37 115.31 119.87 2jri h LEU 33 Ca -0.08 0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.92 2jri h LEU 33 Cb 1.54 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 2jri h LEU 33 CO 0.17 0.46 -0.12 0.28 0.09 0.00 0.00 178.44 179.32 2jri h SER 34 N 0.95 0.00 0.36 -0.43 0.02 -1.60 -3.27 113.55 109.58 2jri h SER 34 Ca 0.50 0.00 -0.32 0.00 -0.84 0.00 0.00 61.79 61.13 2jri h SER 34 Cb 0.52 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.04 2jri h SER 34 CO -0.28 0.12 -1.73 0.28 -1.14 0.00 0.00 176.83 174.07 2jri h SER 35 N 0.00 0.27 0.56 3.07 0.02 -0.79 -3.34 113.55 113.35 2jri h SER 35 Ca -0.00 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.42 2jri h SER 35 Cb 0.99 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 2jri h SER 35 CO 0.02 1.44 -0.12 0.16 -1.14 0.00 0.00 176.83 177.19 2jri h ILE 36 N 0.05 0.44 -0.44 3.27 3.07 -0.46 -1.99 117.51 121.44 2jri h ILE 36 Ca -0.31 -0.63 -0.08 0.00 1.55 0.00 0.00 64.86 65.38 2jri h ILE 36 Cb 2.02 1.44 -0.02 0.00 -0.27 0.00 0.00 36.82 39.99 2jri h ILE 36 CO 0.11 0.12 -0.05 0.00 -1.05 0.00 0.00 178.15 177.28 2jri h ALA 37 N 1.88 1.08 0.00 0.16 0.00 -1.67 -2.35 119.26 118.35 2jri h ALA 37 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.52 2jri h ALA 37 Cb 0.43 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2jri h ALA 37 CO 0.02 0.57 -0.48 1.25 0.00 0.00 0.00 179.25 180.61 2jri h HIS 38 N 0.70 0.00 0.00 0.00 -0.00 -1.42 -2.28 115.15 112.15 2jri h HIS 38 Ca 0.13 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.42 2jri h HIS 38 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 2jri h HIS 38 CO 0.03 0.48 -0.37 0.37 -0.00 0.00 0.00 177.93 178.43 2jri h GLN 39 N 0.00 0.00 0.00 5.26 5.75 -1.28 -1.55 115.11 123.29 2jri h GLN 39 Ca -0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.42 2jri h GLN 39 Cb 0.86 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2jri h GLN 39 CO 0.06 0.37 -0.34 1.25 -2.65 0.00 0.00 178.83 177.52 2jri h LEU 40 N 0.00 0.00 -0.90 -2.39 7.12 -1.16 -2.68 115.31 115.30 2jri h LEU 40 Ca -0.00 0.00 -0.03 0.00 0.13 0.00 0.00 57.88 57.98 2jri h LEU 40 Cb 0.66 0.00 -0.04 0.00 -0.53 0.00 0.00 40.66 40.75 2jri h LEU 40 CO 0.05 0.34 0.42 -0.78 -0.13 0.00 0.00 178.44 178.34 2jri h ASP 41 N 0.00 1.09 -0.83 1.25 3.58 -1.08 0.24 116.42 120.68 2jri h ASP 41 Ca -0.00 -0.12 -0.02 0.00 0.42 0.00 0.00 57.03 57.30 2jri h ASP 41 Cb 0.89 -0.28 -0.04 0.00 1.72 0.00 0.00 39.33 41.62 2jri h ASP 41 CO 0.04 0.91 0.42 -0.08 -2.88 0.00 0.00 179.24 177.66 2jri h GLU 42 N 1.20 1.18 -0.45 0.28 4.81 -1.39 0.17 114.58 120.38 2jri h GLU 42 Ca 0.29 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.31 2jri h GLU 42 Cb 0.10 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2jri h GLU 42 CO -0.04 0.89 0.08 1.49 -0.73 0.00 0.00 179.01 180.70 2jri h GLU 43 N 1.17 0.74 -0.84 1.92 4.81 -1.16 -1.10 114.58 120.10 2jri h GLU 43 Ca 0.29 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 2jri h GLU 43 Cb 0.08 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.33 2jri h GLU 43 CO -0.04 0.75 0.46 0.93 -0.73 0.00 0.00 179.01 180.39 2jri h GLU 44 N 0.60 1.17 -0.45 1.92 4.39 0.01 0.32 114.58 122.54 2jri h GLU 44 Ca 0.14 -0.14 -0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jri h GLU 44 Cb 0.37 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2jri h GLU 44 CO 0.01 0.86 0.26 -0.09 -1.16 0.00 0.00 179.01 178.89 2jri h ARG 45 N 1.17 0.62 -0.42 2.33 2.43 -0.38 0.45 114.38 120.58 2jri h ARG 45 Ca 0.30 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.30 2jri h ARG 45 Cb 0.03 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2jri h ARG 45 CO -0.05 0.47 -0.18 0.52 -1.51 0.00 0.00 179.97 179.22 2jri h MET 46 N 0.59 0.80 -0.58 0.20 2.86 -0.71 -1.56 114.93 116.53 2jri h MET 46 Ca 0.16 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 2jri h MET 46 Cb 0.02 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 2jri h MET 46 CO -0.03 0.92 -0.05 -0.09 1.06 0.00 0.00 176.91 178.72 2jri h ARG 47 N 0.71 1.05 -0.61 1.72 1.12 0.14 -0.45 114.38 118.07 2jri h ARG 47 Ca 0.11 -0.36 -0.05 0.00 -1.11 0.00 0.00 59.98 58.57 2jri h ARG 47 Cb 0.69 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 30.54 2jri h ARG 47 CO 0.05 1.06 0.19 0.52 -3.11 0.00 0.00 179.97 178.68 2jri h MET 48 N 0.95 0.94 0.00 0.20 2.86 0.14 0.13 114.93 120.15 2jri h MET 48 Ca 0.16 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 2jri h MET 48 Cb 0.62 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 2jri h MET 48 CO 0.04 0.84 -0.33 0.00 1.06 0.00 0.00 176.91 178.52 2jri h ALA 49 N 1.06 1.36 -0.18 6.32 0.00 -1.07 0.21 119.26 126.96 2jri h ALA 49 Ca 0.20 -0.30 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2jri h ALA 49 Cb 0.29 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2jri h ALA 49 CO -0.01 0.42 -0.50 1.49 0.00 0.00 0.00 179.25 180.65 2jri h GLU 50 N 0.00 0.66 -0.10 0.00 4.81 -0.26 -3.30 114.58 116.39 2jri h GLU 50 Ca -0.00 -0.47 -0.14 0.00 -0.13 0.00 0.00 59.36 58.62 2jri h GLU 50 Cb 0.62 0.08 0.01 0.00 0.63 0.00 0.00 28.75 30.08 2jri h GLU 50 CO 0.04 1.09 -0.47 0.78 -0.73 0.00 0.00 179.01 179.72 2jri h GLY 51 N 0.35 0.55 0.00 1.92 0.00 -0.42 -3.47 103.07 102.00 2jri h GLY 51 Ca -0.01 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.55 2jri h GLY 51 CO 0.11 0.68 0.00 0.61 0.00 0.00 0.00 176.54 177.94 2jri n GLY 52 N 0.70 0.24 3.56 4.60 0.00 0.71 -5.08 105.19 109.91 2jri n GLY 52 Ca -0.08 0.70 -0.31 0.00 0.00 0.00 0.00 46.02 46.33 2jri n GLY 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jri s VAL 53 N 0.00 3.41 0.38 1.61 1.01 -1.25 -4.53 120.40 121.03 2jri s VAL 53 Ca 0.00 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.85 2jri s VAL 53 Cb 0.00 -3.96 0.07 0.00 0.00 0.00 0.00 36.38 32.49 2jri s VAL 53 CO 0.00 -0.91 0.53 0.35 0.00 0.00 0.00 175.10 175.06 2jri n THR 54 N 7.65 0.00 0.00 3.92 -2.24 -1.26 -5.07 114.28 117.29 2jri n THR 54 Ca 0.33 -1.01 -0.03 0.00 -2.27 0.00 0.00 64.05 61.07 2jri n THR 54 Cb 0.49 -0.92 -0.01 0.00 -2.10 0.00 0.00 70.33 67.79 2jri n THR 54 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2jri n SER 55 N -2.79 1.24 -0.02 3.42 3.41 -1.26 -4.33 113.62 113.29 2jri n SER 55 Ca 0.10 0.18 -0.17 0.00 -0.26 0.00 0.00 58.87 58.72 2jri n SER 55 Cb 0.35 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.78 2jri n SER 55 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2jri h GLU 56 N -0.29 0.62 -0.06 4.33 4.57 -1.99 -2.38 114.58 119.38 2jri h GLU 56 Ca 0.00 -0.52 -0.08 0.00 -1.18 0.00 0.00 59.36 57.58 2jri h GLU 56 Cb 0.29 0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2jri h GLU 56 CO 0.00 1.14 -0.32 -0.44 -1.18 0.00 0.00 179.01 178.21 2jri h ASP 57 N 0.26 0.11 -0.15 1.04 3.32 -1.99 -1.50 116.42 117.51 2jri h ASP 57 Ca -0.05 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 2jri h ASP 57 Cb 1.28 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 2jri h ASP 57 CO 0.13 0.44 -0.16 0.22 -1.72 0.00 0.00 179.24 178.15 2jri h TYR 58 N 0.10 0.45 -0.13 4.55 5.03 -1.74 -1.53 116.97 123.71 2jri h TYR 58 Ca 0.01 -0.14 -0.00 0.00 2.58 0.00 0.00 58.73 61.18 2jri h TYR 58 Cb 0.63 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.81 2jri h TYR 58 CO 0.00 0.77 0.06 -0.09 -1.32 0.00 0.00 178.16 177.59 2jri h ARG 59 N 0.00 0.18 -0.70 1.82 9.65 -1.22 -0.05 114.38 124.07 2jri h ARG 59 Ca 0.02 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2jri h ARG 59 Cb 0.69 -0.03 -0.03 0.00 -1.39 0.00 0.00 29.97 29.21 2jri h ARG 59 CO 0.04 0.23 0.40 1.79 2.80 0.00 0.00 179.97 185.23 2jri h THR 60 N 0.09 1.21 -0.15 0.20 1.35 -1.32 -2.32 112.91 111.98 2jri h THR 60 Ca 0.04 -0.51 -0.10 0.00 -0.55 0.00 0.00 66.41 65.29 2jri h THR 60 Cb 0.11 0.27 -0.01 0.00 -1.73 0.00 0.00 68.15 66.79 2jri h THR 60 CO -0.01 0.23 -0.37 -0.26 -0.25 0.00 0.00 175.52 174.86 2jri h PHE 61 N 0.96 0.36 0.00 4.73 0.04 -1.10 -1.32 116.94 120.60 2jri h PHE 61 Ca 0.25 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.92 2jri h PHE 61 Cb 0.01 -0.08 -0.00 0.00 2.20 0.00 0.00 35.95 38.08 2jri h PHE 61 CO -0.01 0.64 -0.06 -0.07 -0.60 0.00 0.00 178.31 178.22 2jri h LEU 62 N 0.27 0.00 -2.98 1.54 3.38 -0.46 -2.02 115.31 115.04 2jri h LEU 62 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2jri h LEU 62 Cb 0.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.53 2jri h LEU 62 CO 0.06 0.06 0.00 1.67 0.09 0.00 0.00 178.44 180.32 2jri n GLN 63 N -3.27 2.79 -2.25 1.13 7.27 -0.98 -4.92 117.38 117.14 2jri n GLN 63 Ca -0.01 -2.05 -0.37 0.00 0.07 0.00 0.00 57.00 54.64 2jri n GLN 63 Cb 0.24 -1.30 -0.01 0.00 2.41 0.00 0.00 30.24 31.59 2jri n GLN 63 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2jri s GLN 64 N -1.43 3.71 1.09 3.69 2.00 -0.54 -4.95 119.66 123.22 2jri s GLN 64 Ca 0.20 1.76 -0.13 0.00 -2.00 0.00 0.00 55.36 55.19 2jri s GLN 64 Cb 0.13 -2.36 0.21 0.00 0.80 0.00 0.00 33.01 31.79 2jri s GLN 64 CO 0.09 -0.59 0.86 -2.30 -0.50 0.00 0.00 175.29 172.85 2jri n PRO 65 N -0.58 -1.66 0.00 1.67 -0.02 -1.26 -3.19 135.00 129.96 2jri n PRO 65 Ca 0.08 -0.45 0.00 0.00 -2.02 0.00 0.00 63.50 61.11 2jri n PRO 65 Cb 0.48 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.83 2jri n PRO 65 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2jri n SER 66 N -4.03 0.00 0.06 2.55 7.64 -1.26 -4.61 113.62 113.97 2jri n SER 66 Ca 0.05 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.82 2jri n SER 66 Cb 0.54 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2jri n SER 66 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2jri h GLY 67 N 0.00 0.42 0.16 0.23 0.00 -1.79 -3.30 103.07 98.79 2jri h GLY 67 Ca 0.00 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.66 2jri h GLY 67 CO 0.00 0.60 -0.01 3.43 0.00 0.00 0.00 176.54 180.56 2jri h ASN 68 N 0.23 -0.02 0.00 0.19 2.35 -1.82 -3.28 115.58 113.24 2jri h ASN 68 Ca -0.06 -0.77 0.00 0.00 -0.55 0.00 0.00 56.30 54.93 2jri h ASN 68 Cb 1.46 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.84 2jri h ASN 68 CO 0.14 0.79 0.00 0.80 -1.65 0.00 0.00 177.43 177.52 2jri n MET 69 N -4.71 0.00 0.00 0.81 1.56 -1.24 -4.32 117.12 109.22 2jri n MET 69 Ca -0.09 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.34 2jri n MET 69 Cb 0.38 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.75 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jri n ASP 70 N -2.25 0.00 0.00 6.12 2.03 -1.26 -4.02 116.55 117.17 2jri n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jri n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jri n ASP 70 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jri n ASP 71 N 0.00 -0.04 0.00 1.67 2.03 -1.26 -4.31 116.55 114.64 2jri n ASP 71 Ca 0.00 0.34 0.00 0.00 0.52 0.00 0.00 54.79 55.65 2jri n ASP 71 Cb 0.00 0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.77 2jri n ASP 71 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jri n SER 72 N -2.52 0.00 -0.47 1.67 7.64 -1.26 -4.94 113.62 113.74 2jri n SER 72 Ca 0.00 0.00 0.02 0.00 1.01 0.00 0.00 58.87 59.90 2jri n SER 72 Cb 0.00 0.00 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2jri n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jri n GLY 73 N 5.00 0.55 2.42 0.23 0.00 -1.26 -4.83 105.19 107.30 2jri n GLY 73 Ca 0.00 -0.16 -0.16 0.00 0.00 0.00 0.00 46.02 45.70 2jri n GLY 73 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jri n PHE 74 N -0.00 -3.36 -3.71 1.61 3.72 -1.26 -1.58 117.46 112.88 2jri n PHE 74 Ca 0.05 -1.00 -0.12 0.00 -0.05 0.00 0.00 57.45 56.34 2jri n PHE 74 Cb 0.25 -0.51 -0.11 0.00 -0.94 0.00 0.00 39.48 38.17 2jri n PHE 74 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2jri s PHE 75 N -2.12 -0.52 0.76 1.38 0.08 -1.26 -4.74 117.98 111.57 2jri s PHE 75 Ca 0.43 1.16 -0.11 0.00 0.12 0.00 0.00 56.93 58.53 2jri s PHE 75 Cb -0.02 0.21 0.05 0.00 -0.57 0.00 0.00 43.02 42.69 2jri s PHE 75 CO 0.29 -0.28 1.10 -1.12 -0.10 0.00 0.00 175.22 175.10 2jri s SER 76 N 0.94 4.84 0.65 1.36 0.01 -1.26 -4.93 113.70 115.32 2jri s SER 76 Ca -0.06 1.23 0.43 0.00 1.31 0.00 0.00 55.95 58.86 2jri s SER 76 Cb -0.06 -1.98 2.31 0.00 0.21 0.00 0.00 66.02 66.49 2jri s SER 76 CO -0.07 -1.74 2.33 -0.29 0.41 0.00 0.00 173.24 173.88 2jri h ILE 77 N -0.93 0.03 -0.08 1.44 2.10 -1.96 -2.00 117.51 116.11 2jri h ILE 77 Ca -0.46 -0.06 0.02 0.00 1.08 0.00 0.00 64.86 65.44 2jri h ILE 77 Cb 1.26 1.05 -0.00 0.00 -1.09 0.00 0.00 36.82 38.05 2jri h ILE 77 CO 0.61 0.00 0.11 1.56 -1.08 0.00 0.00 178.15 179.35 2jri h GLN 78 N 0.00 0.00 -0.00 2.19 7.50 -1.91 0.23 115.11 123.11 2jri h GLN 78 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 2jri h GLN 78 Cb 0.05 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.58 2jri h GLN 78 CO 0.00 0.00 -0.01 1.33 -1.50 0.00 0.00 178.83 178.65 2jri n VAL 79 N -3.64 0.00 -0.09 -0.54 0.24 -0.75 -2.93 118.33 110.62 2jri n VAL 79 Ca -0.01 -0.03 -0.17 0.00 -2.04 0.00 0.00 64.34 62.09 2jri n VAL 79 Cb 0.21 -0.37 -0.06 0.00 -1.47 0.00 0.00 33.84 32.15 2jri n VAL 79 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2jri n ILE 80 N -0.91 1.14 -0.27 1.34 2.08 0.06 -3.79 119.36 119.00 2jri n ILE 80 Ca 0.22 -0.16 -0.01 0.00 0.56 0.00 0.00 62.75 63.36 2jri n ILE 80 Cb 0.16 -1.84 0.19 0.00 -0.75 0.00 0.00 39.64 37.40 2jri n ILE 80 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 2jri h SER 81 N -0.69 0.97 1.47 4.38 0.02 -1.65 -2.14 113.55 115.92 2jri h SER 81 Ca -0.38 -0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.50 2jri h SER 81 Cb 1.26 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2jri h SER 81 CO -0.23 0.72 -0.54 -1.13 -1.14 0.00 0.00 176.83 174.52 2jri h ASN 82 N 1.14 0.00 -0.82 3.07 -1.24 -1.79 -3.16 115.58 112.78 2jri h ASN 82 Ca 0.30 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.35 2jri h ASN 82 Cb -0.10 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 38.90 2jri h ASN 82 CO -0.06 0.13 0.52 0.00 -1.29 0.00 0.00 177.43 176.73 2jri h ALA 83 N 1.87 1.09 0.00 1.57 0.00 -1.48 0.43 119.26 122.74 2jri h ALA 83 Ca -0.02 -0.03 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2jri h ALA 83 Cb 1.12 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2jri h ALA 83 CO 0.01 0.32 -1.09 -0.07 0.00 0.00 0.00 179.25 178.43 2jri h LEU 84 N 1.00 0.00 -0.46 0.00 -0.00 -1.66 -3.33 115.31 110.86 2jri h LEU 84 Ca 0.34 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 58.09 2jri h LEU 84 Cb 0.05 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.70 2jri h LEU 84 CO -0.13 0.63 -0.22 0.50 -0.00 0.00 0.00 178.44 179.22 2jri h LYS 85 N 0.00 0.96 0.00 1.13 3.64 -1.35 -0.81 116.57 120.14 2jri h LYS 85 Ca -0.10 -0.42 -0.03 0.00 -1.27 0.00 0.00 60.65 58.82 2jri h LYS 85 Cb 1.57 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.36 2jri h LYS 85 CO 0.06 1.09 -0.17 -0.39 -2.27 0.00 0.00 179.45 177.77 2jri h VAL 86 N 0.80 0.70 -0.00 2.00 -1.51 -1.06 -0.63 116.25 116.55 2jri h VAL 86 Ca 0.10 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2jri h VAL 86 Cb 0.80 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.39 2jri h VAL 86 CO 0.07 0.16 -0.02 0.79 -1.23 0.00 0.00 177.57 177.34 2jri n TRP 87 N -3.73 0.00 -0.32 5.19 7.02 -1.03 -4.88 117.44 119.69 2jri n TRP 87 Ca -0.02 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.46 2jri n TRP 87 Cb 0.28 -0.42 0.00 0.00 -2.42 0.00 0.00 31.31 28.74 2jri n TRP 87 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 2jri n GLY 88 N 1.43 0.75 4.01 6.99 0.00 -0.24 -5.07 105.19 113.06 2jri n GLY 88 Ca 0.09 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.90 2jri n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jri s LEU 89 N 0.00 3.10 0.19 0.99 2.01 -0.34 -5.00 118.68 119.64 2jri s LEU 89 Ca 0.00 -0.53 0.10 0.00 0.01 0.00 0.00 54.13 53.72 2jri s LEU 89 Cb 0.00 -1.97 -0.04 0.00 0.01 0.00 0.00 46.19 44.19 2jri s LEU 89 CO 0.00 -1.52 -0.21 -0.70 1.01 0.00 0.00 176.35 174.93 2jri s GLU 90 N -4.87 1.43 -0.10 1.70 2.12 -0.69 -3.89 118.70 114.40 2jri s GLU 90 Ca 0.63 -1.51 0.02 0.00 0.36 0.00 0.00 54.97 54.47 2jri s GLU 90 Cb -0.06 -1.60 0.01 0.00 0.26 0.00 0.00 34.13 32.74 2jri s GLU 90 CO 0.41 0.33 -0.16 -1.17 -0.54 0.00 0.00 175.26 174.13 2jri s LEU 91 N -2.80 1.78 -0.10 2.70 2.96 -1.26 0.13 118.68 122.09 2jri s LEU 91 Ca 0.20 -0.43 0.04 0.00 -0.22 0.00 0.00 54.13 53.72 2jri s LEU 91 Cb -0.06 -1.11 0.00 0.00 0.50 0.00 0.00 46.19 45.52 2jri s LEU 91 CO 0.09 0.04 -0.23 -0.63 -1.32 0.00 0.00 176.35 174.30 2jri s ILE 92 N 0.84 1.96 -1.03 6.68 -1.09 0.63 -4.96 121.20 124.23 2jri s ILE 92 Ca -0.10 -0.96 -0.18 0.00 -2.23 0.00 0.00 60.65 57.18 2jri s ILE 92 Cb -0.15 -1.70 0.12 0.00 -1.58 0.00 0.00 42.46 39.15 2jri s ILE 92 CO 0.01 0.54 1.29 -0.22 -1.23 0.00 0.00 174.94 175.33 2jri s LEU 93 N 0.38 4.71 0.63 2.97 2.96 -1.26 -0.31 118.68 128.77 2jri s LEU 93 Ca -0.18 -2.19 0.41 0.00 -0.22 0.00 0.00 54.13 51.95 2jri s LEU 93 Cb -0.18 -2.44 2.12 0.00 0.50 0.00 0.00 46.19 46.20 2jri s LEU 93 CO 0.08 -1.07 2.26 0.15 -1.32 0.00 0.00 176.35 176.45 2jri h PHE 94 N 8.53 0.00 0.00 5.38 3.57 -1.23 -2.40 116.94 130.79 2jri h PHE 94 Ca 0.22 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 2jri h PHE 94 Cb 0.98 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.71 2jri h PHE 94 CO 1.19 0.00 -0.29 -0.97 -2.23 0.00 0.00 178.31 176.01 2jri h ASN 95 N 0.00 0.00 -3.58 0.41 -1.24 -1.88 -3.23 115.58 106.06 2jri h ASN 95 Ca -0.00 0.00 -0.52 0.00 0.71 0.00 0.00 56.30 56.49 2jri h ASN 95 Cb 0.15 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.18 2jri h ASN 95 CO 0.00 0.29 0.37 -0.44 -1.29 0.00 0.00 177.43 176.36 2jri s SER 96 N -6.76 7.48 0.35 1.15 0.01 -0.91 -4.86 113.70 110.17 2jri s SER 96 Ca -0.03 1.83 0.14 0.00 1.31 0.00 0.00 55.95 59.21 2jri s SER 96 Cb 0.14 -2.59 1.03 0.00 0.21 0.00 0.00 66.02 64.81 2jri s SER 96 CO 0.69 -0.07 1.70 -0.65 0.41 0.00 0.00 173.24 175.33 2jri h PRO 97 N 5.45 0.41 0.00 12.44 0.11 -1.88 0.29 132.00 148.82 2jri h PRO 97 Ca -0.43 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 2jri h PRO 97 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 2jri h PRO 97 CO 0.72 0.27 -0.06 1.05 -0.21 0.00 0.00 178.00 179.77 2jri h GLU 98 N 0.42 0.00 -0.00 1.05 9.09 -1.92 -2.44 114.58 120.78 2jri h GLU 98 Ca 0.68 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.09 2jri h GLU 98 Cb 1.53 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 2jri h GLU 98 CO -0.49 0.06 -0.33 0.66 0.05 0.00 0.00 179.01 178.96 2jri n TYR 99 N -3.91 0.00 0.28 2.06 4.01 0.71 -4.46 117.16 115.85 2jri n TYR 99 Ca -0.03 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.89 2jri n TYR 99 Cb 0.15 0.00 0.68 0.00 -0.31 0.00 0.00 39.34 39.86 2jri n TYR 99 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2jri h GLN 100 N 0.51 0.00 -1.33 -0.72 4.15 -0.15 -3.09 115.11 114.47 2jri h GLN 100 Ca 0.00 0.00 -0.70 0.00 0.77 0.00 0.00 58.65 58.72 2jri h GLN 100 Cb 0.27 0.00 -0.29 0.00 0.21 0.00 0.00 27.48 27.67 2jri h GLN 100 CO 0.00 0.00 0.82 2.89 -1.93 0.00 0.00 178.83 180.61 2jri n ARG 101 N -3.06 2.77 0.21 1.69 1.85 -1.23 -4.58 116.66 114.33 2jri n ARG 101 Ca 0.01 -3.44 0.11 0.00 -1.00 0.00 0.00 57.85 53.53 2jri n ARG 101 Cb 0.30 -2.28 0.26 0.00 -1.05 0.00 0.00 32.46 29.69 2jri n ARG 101 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2jri h LEU 102 N 2.35 0.00 -1.49 2.89 8.10 -1.86 -3.48 115.31 121.82 2jri h LEU 102 Ca 0.58 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 58.22 2jri h LEU 102 Cb 0.59 0.00 0.16 0.00 -0.44 0.00 0.00 40.66 40.97 2jri h LEU 102 CO 1.49 0.12 -0.75 0.54 -4.11 0.00 0.00 178.44 175.72 2jri n ARG 103 N -3.15 -6.82 -4.50 0.17 3.00 -1.26 -5.03 116.66 99.08 2jri n ARG 103 Ca 0.03 0.83 -0.23 0.00 -0.01 0.00 0.00 57.85 58.47 2jri n ARG 103 Cb 0.52 -5.84 -0.11 0.00 0.00 0.00 0.00 32.46 27.03 2jri n ARG 103 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2jri s ILE 104 N -3.36 1.60 -0.32 0.55 1.01 -1.26 -5.12 121.20 114.29 2jri s ILE 104 Ca 0.12 -2.05 -0.12 0.00 0.00 0.00 0.00 60.65 58.61 2jri s ILE 104 Cb -0.05 -2.75 -0.02 0.00 0.01 0.00 0.00 42.46 39.65 2jri s ILE 104 CO 0.73 -0.10 0.21 -0.62 0.00 0.00 0.00 174.94 175.17 2jri s ASP 105 N -3.54 5.94 0.58 3.58 2.15 -1.26 -4.96 116.67 119.16 2jri s ASP 105 Ca 0.34 -0.35 0.28 0.00 0.43 0.00 0.00 52.55 53.26 2jri s ASP 105 Cb 0.07 -2.11 1.73 0.00 -0.30 0.00 0.00 42.92 42.32 2jri s ASP 105 CO 0.15 -0.18 2.20 1.55 -0.17 0.00 0.00 175.17 178.72 2jri h PRO 106 N 8.43 0.00 0.00 4.34 0.13 -1.99 -0.66 132.00 142.26 2jri h PRO 106 Ca -0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.75 2jri h PRO 106 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 2jri h PRO 106 CO 0.61 0.00 -0.25 0.82 -0.23 0.00 0.00 178.00 178.95 2jri h ILE 107 N 0.00 0.50 -0.14 -3.56 2.04 -1.94 -2.84 117.51 111.58 2jri h ILE 107 Ca 0.03 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.54 2jri h ILE 107 Cb 0.15 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2jri h ILE 107 CO -0.00 0.24 0.00 -3.20 0.00 0.00 0.00 178.15 175.19 2jri n ASN 108 N -3.27 1.89 -2.79 1.72 5.15 -0.26 -4.92 115.26 112.78 2jri n ASN 108 Ca 0.01 -1.70 -0.11 0.00 -0.60 0.00 0.00 54.58 52.18 2jri n ASN 108 Cb 0.52 -0.09 0.08 0.00 -0.53 0.00 0.00 39.78 39.77 2jri n ASN 108 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2jri n GLU 109 N 0.47 -0.99 -0.03 1.20 -0.58 -1.07 -5.03 120.64 114.61 2jri n GLU 109 Ca 0.17 -0.74 -0.08 0.00 -0.42 0.00 0.00 57.16 56.09 2jri n GLU 109 Cb 0.38 -0.56 -0.03 0.00 -0.57 0.00 0.00 31.44 30.67 2jri n GLU 109 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2jri n ARG 110 N -2.33 0.24 -3.64 3.49 0.00 -1.26 -4.94 116.66 108.21 2jri n ARG 110 Ca 0.06 0.10 -0.07 0.00 -0.00 0.00 0.00 57.85 57.94 2jri n ARG 110 Cb 0.22 -0.91 -0.07 0.00 -0.00 0.00 0.00 32.46 31.71 2jri n ARG 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jri s SER 111 N -6.01 -0.69 0.00 2.89 0.01 -1.26 -2.42 113.70 106.22 2jri s SER 111 Ca -0.14 1.17 0.01 0.00 1.31 0.00 0.00 55.95 58.29 2jri s SER 111 Cb 0.04 1.25 -0.00 0.00 0.21 0.00 0.00 66.02 67.52 2jri s SER 111 CO 0.19 -0.19 -0.02 0.72 0.41 0.00 0.00 173.24 174.35 2jri s PHE 112 N 1.10 0.17 -0.15 2.43 -0.71 -0.80 -1.01 117.98 119.02 2jri s PHE 112 Ca -0.06 -0.08 0.00 0.00 -1.04 0.00 0.00 56.93 55.75 2jri s PHE 112 Cb -0.05 -0.11 -0.00 0.00 -1.21 0.00 0.00 43.02 41.65 2jri s PHE 112 CO -0.13 -0.02 -0.15 0.42 -1.34 0.00 0.00 175.22 174.00 2jri s ILE 113 N -0.19 2.69 -0.24 -4.49 1.01 0.19 -1.42 121.20 118.75 2jri s ILE 113 Ca -0.01 -0.77 -0.08 0.00 0.00 0.00 0.00 60.65 59.79 2jri s ILE 113 Cb -0.02 -2.13 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 2jri s ILE 113 CO -0.00 0.52 0.09 0.00 0.00 0.00 0.00 174.94 175.54 2jri s ASN 115 N 1.29 6.95 -0.42 0.00 2.47 -0.49 0.55 114.94 125.29 2jri s ASN 115 Ca 0.05 1.13 0.09 0.00 0.42 0.00 0.00 52.86 54.56 2jri s ASN 115 Cb -0.15 -2.36 0.42 0.00 -1.45 0.00 0.00 41.25 37.72 2jri s ASN 115 CO 0.04 0.11 1.02 0.00 -3.72 0.00 0.00 177.10 174.54 2jri n TYR 116 N 2.74 2.63 0.00 0.43 9.36 0.12 -0.76 117.16 131.67 2jri n TYR 116 Ca -0.07 -3.19 0.00 0.00 3.32 0.00 0.00 57.90 57.96 2jri n TYR 116 Cb 0.51 -0.24 0.00 0.00 -0.63 0.00 0.00 39.34 38.98 2jri n TYR 116 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 2jri n LYS 117 N -0.28 0.00 -0.05 2.98 3.00 -1.26 -3.40 118.16 119.16 2jri n LYS 117 Ca 0.28 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.53 2jri n LYS 117 Cb 0.67 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.66 2jri n LYS 117 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jri n GLU 118 N 0.00 0.65 -4.24 1.64 0.00 -1.26 -5.03 120.64 112.40 2jri n GLU 118 Ca 0.00 0.04 -0.31 0.00 0.00 0.00 0.00 57.16 56.90 2jri n GLU 118 Cb 0.00 -1.19 -0.09 0.00 0.00 0.00 0.00 31.44 30.16 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jri s HIS 119 N -2.19 2.95 0.04 4.31 3.76 -1.22 -5.12 115.29 117.83 2jri s HIS 119 Ca -0.11 -0.03 0.08 0.00 -0.15 0.00 0.00 55.06 54.85 2jri s HIS 119 Cb 0.03 -1.56 -0.03 0.00 1.11 0.00 0.00 32.58 32.13 2jri s HIS 119 CO 0.23 0.45 -0.23 -1.58 -0.85 0.00 0.00 174.74 172.76 2jri s TRP 120 N -1.19 2.42 -0.56 1.40 0.52 -1.26 0.11 118.94 120.38 2jri s TRP 120 Ca 0.22 -0.35 -0.09 0.00 0.02 0.00 0.00 56.10 55.90 2jri s TRP 120 Cb -0.11 -1.43 0.14 0.00 -1.15 0.00 0.00 33.47 30.92 2jri s TRP 120 CO 0.14 0.17 0.45 -0.06 0.02 0.00 0.00 176.95 177.66 2jri s PHE 121 N -0.84 3.47 -0.49 -1.98 0.40 0.19 -4.81 117.98 113.92 2jri s PHE 121 Ca 0.13 -2.00 -0.29 0.00 -0.60 0.00 0.00 56.93 54.17 2jri s PHE 121 Cb -0.10 -3.53 0.03 0.00 0.51 0.00 0.00 43.02 39.93 2jri s PHE 121 CO 0.03 -0.97 1.16 0.99 0.70 0.00 0.00 175.22 177.13 2jri s THR 122 N 0.92 4.17 -0.36 0.64 2.01 -1.26 -1.21 115.64 120.56 2jri s THR 122 Ca 0.10 1.18 -0.04 0.00 0.31 0.00 0.00 61.69 63.23 2jri s THR 122 Cb -0.23 -4.61 0.07 0.00 0.01 0.00 0.00 72.50 67.74 2jri s THR 122 CO -0.02 -1.05 0.12 -0.69 -0.69 0.00 0.00 174.62 172.29 2jri s VAL 123 N 4.56 3.43 -0.11 3.82 1.01 -0.51 -0.50 120.40 132.10 2jri s VAL 123 Ca 0.48 -1.53 -0.03 0.00 0.00 0.00 0.00 61.98 60.89 2jri s VAL 123 Cb -0.07 -3.10 -0.03 0.00 0.00 0.00 0.00 36.38 33.18 2jri s VAL 123 CO 0.31 -0.35 0.03 -0.60 0.00 0.00 0.00 175.10 174.49 2jri s ARG 124 N 1.28 3.24 -0.01 2.72 6.06 -0.64 -1.90 118.95 129.70 2jri s ARG 124 Ca 0.01 -0.37 -0.30 0.00 -2.50 0.00 0.00 55.73 52.57 2jri s ARG 124 Cb -0.21 -2.92 -0.05 0.00 0.06 0.00 0.00 34.95 31.84 2jri s ARG 124 CO -0.01 0.62 1.25 0.21 -2.50 0.00 0.00 175.30 174.88 2jri s LYS 125 N -0.64 4.36 -0.17 5.12 2.36 -1.02 -1.82 119.74 127.93 2jri s LYS 125 Ca 0.11 1.78 0.00 0.00 -2.55 0.00 0.00 55.97 55.31 2jri s LYS 125 Cb -0.12 -3.50 0.03 0.00 -1.05 0.00 0.00 37.83 33.20 2jri s LYS 125 CO 0.02 -0.43 -0.10 -0.51 1.55 0.00 0.00 175.35 175.89 2jri s LEU 126 N 1.91 1.80 0.00 5.43 1.02 0.57 -4.79 118.68 124.62 2jri s LEU 126 Ca 0.59 -0.64 0.00 0.00 0.02 0.00 0.00 54.13 54.09 2jri s LEU 126 Cb -0.28 -1.08 0.00 0.00 0.02 0.00 0.00 46.19 44.85 2jri s LEU 126 CO 0.25 -0.13 0.00 0.61 0.02 0.00 0.00 176.35 177.10 2jri n GLY 127 N 4.79 0.56 0.00 -3.19 0.00 -1.07 -1.24 105.19 105.05 2jri n GLY 127 Ca -0.14 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2jri n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jri n LYS 128 N 0.00 0.00 -1.79 1.61 0.00 -1.26 -4.83 118.16 111.89 2jri n LYS 128 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.06 2jri n LYS 128 Cb 0.00 -0.16 0.17 0.00 0.00 0.00 0.00 35.03 35.04 2jri n LYS 128 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2jri n GLN 129 N -0.59 -0.99 -4.26 1.64 -0.06 -0.37 -5.00 117.38 107.74 2jri n GLN 129 Ca 0.00 -1.92 -0.22 0.00 -2.00 0.00 0.00 57.00 52.86 2jri n GLN 129 Cb 0.00 -1.13 -0.12 0.00 -4.06 0.00 0.00 30.24 24.93 2jri n GLN 129 CO 0.00 0.00 0.00 -1.58 -0.20 0.00 0.00 177.06 175.28 2jri s TRP 130 N -3.47 1.54 -0.01 3.69 0.52 -0.97 -0.32 118.94 119.93 2jri s TRP 130 Ca 0.66 -0.43 0.00 0.00 0.02 0.00 0.00 56.10 56.35 2jri s TRP 130 Cb -0.02 -0.86 0.01 0.00 -1.15 0.00 0.00 33.47 31.46 2jri s TRP 130 CO 0.46 0.13 0.01 -0.06 0.02 0.00 0.00 176.95 177.51 2jri s PHE 131 N -1.17 0.04 -0.07 -1.98 0.40 -0.76 -1.35 117.98 113.09 2jri s PHE 131 Ca 0.03 0.05 -0.17 0.00 -0.60 0.00 0.00 56.93 56.24 2jri s PHE 131 Cb -0.10 -0.12 -0.05 0.00 0.51 0.00 0.00 43.02 43.26 2jri s PHE 131 CO 0.03 -0.04 0.45 1.21 0.70 0.00 0.00 175.22 177.58 2jri s ASN 132 N 0.45 6.74 -0.36 1.36 2.47 -1.21 -1.63 114.94 122.77 2jri s ASN 132 Ca -0.04 0.88 0.03 0.00 0.42 0.00 0.00 52.86 54.16 2jri s ASN 132 Cb -0.06 -2.28 0.10 0.00 -1.45 0.00 0.00 41.25 37.57 2jri s ASN 132 CO -0.01 0.13 0.09 -0.76 -3.72 0.00 0.00 177.10 172.83 2jri s LEU 133 N -0.06 4.18 0.20 3.21 1.43 0.34 -3.19 118.68 124.80 2jri s LEU 133 Ca 0.25 -2.18 0.09 0.00 -1.03 0.00 0.00 54.13 51.27 2jri s LEU 133 Cb -0.16 -1.47 -0.05 0.00 0.03 0.00 0.00 46.19 44.55 2jri s LEU 133 CO 0.12 -0.37 -0.18 0.21 0.23 0.00 0.00 176.35 176.36 2jri s ASN 134 N 0.88 2.96 0.38 2.29 2.47 -1.26 -4.32 114.94 118.35 2jri s ASN 134 Ca 0.12 -0.94 0.27 0.00 0.42 0.00 0.00 52.86 52.73 2jri s ASN 134 Cb -0.20 -0.20 0.91 0.00 -1.45 0.00 0.00 41.25 40.32 2jri s ASN 134 CO -0.10 -0.03 1.79 0.28 -3.72 0.00 0.00 177.10 175.32 2jri h SER 135 N 2.85 0.00 0.00 -4.21 0.02 -1.91 -3.34 113.55 106.96 2jri h SER 135 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 2jri h SER 135 Cb 1.22 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2jri h SER 135 CO 0.55 0.00 0.00 -0.11 -1.14 0.00 0.00 176.83 176.13 2jri n LEU 136 N -2.72 0.35 -4.67 5.07 7.94 -1.26 -4.79 117.00 116.92 2jri n LEU 136 Ca 0.03 0.62 -0.44 0.00 -1.11 0.00 0.00 56.01 55.11 2jri n LEU 136 Cb 0.37 -0.39 -0.01 0.00 0.53 0.00 0.00 43.42 43.91 2jri n LEU 136 CO 0.28 -0.39 0.87 0.00 -1.11 0.00 0.00 177.39 177.03 2jri n LEU 137 N -1.68 3.10 -2.30 -1.96 -0.00 -1.25 -4.90 117.00 108.00 2jri n LEU 137 Ca 0.00 1.18 -0.34 0.00 -0.00 0.00 0.00 56.01 56.86 2jri n LEU 137 Cb 0.00 -1.43 0.07 0.00 -0.00 0.00 0.00 43.42 42.06 2jri n LEU 137 CO 0.00 -0.66 1.31 1.07 -0.00 0.00 0.00 177.39 179.11 2jri n THR 138 N 0.75 3.51 0.00 1.47 5.66 -1.26 -4.72 114.28 119.69 2jri n THR 138 Ca 0.07 -3.10 0.00 0.00 -3.05 0.00 0.00 64.05 57.98 2jri n THR 138 Cb 0.34 -1.16 0.00 0.00 -1.55 0.00 0.00 70.33 67.96 2jri n THR 138 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jri n GLY 139 N -0.89 1.02 3.64 1.09 0.00 -1.26 -5.12 105.19 103.67 2jri n GLY 139 Ca 0.61 0.36 -0.49 0.00 0.00 0.00 0.00 46.02 46.50 2jri n GLY 139 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jri n PRO 140 N 0.00 1.92 -1.93 1.61 -0.02 -1.26 -4.88 135.00 130.44 2jri n PRO 140 Ca 0.00 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.73 2jri n PRO 140 Cb 0.00 -2.65 -0.03 0.00 -0.02 0.00 0.00 33.50 30.81 2jri n PRO 140 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 2jri s GLU 141 N 4.64 4.18 -0.55 -0.52 2.02 -1.19 -4.82 118.70 122.46 2jri s GLU 141 Ca 0.97 2.30 -0.27 0.00 0.02 0.00 0.00 54.97 57.98 2jri s GLU 141 Cb -0.71 -3.90 -0.02 0.00 0.10 0.00 0.00 34.13 29.61 2jri s GLU 141 CO 0.51 -0.83 1.82 -1.17 0.02 0.00 0.00 175.26 175.61 2jri s LEU 142 N 3.68 3.35 -0.47 1.80 2.96 -1.26 -3.34 118.68 125.40 2jri s LEU 142 Ca 0.76 0.54 -0.12 0.00 -0.22 0.00 0.00 54.13 55.09 2jri s LEU 142 Cb -0.37 -2.77 0.09 0.00 0.50 0.00 0.00 46.19 43.65 2jri s LEU 142 CO 0.32 -2.20 0.36 -0.63 -1.32 0.00 0.00 176.35 172.88 2jri s ILE 143 N 8.46 4.67 0.86 6.68 1.01 -0.46 -5.05 121.20 137.38 2jri s ILE 143 Ca 0.69 -1.40 -0.13 0.00 0.00 0.00 0.00 60.65 59.80 2jri s ILE 143 Cb -0.14 -3.91 0.12 0.00 0.01 0.00 0.00 42.46 38.54 2jri s ILE 143 CO 0.24 -0.64 1.23 -0.94 0.00 0.00 0.00 174.94 174.82 2jri s SER 144 N 2.62 4.03 0.09 3.58 1.04 -1.26 -2.28 113.70 121.51 2jri s SER 144 Ca 0.04 0.62 -0.32 0.00 0.48 0.00 0.00 55.95 56.76 2jri s SER 144 Cb -0.25 -0.97 -0.15 0.00 0.10 0.00 0.00 66.02 64.75 2jri s SER 144 CO 0.03 -2.19 1.61 0.44 0.98 0.00 0.00 173.24 174.10 2jri h ASP 145 N -1.26 -1.00 -0.85 7.02 5.19 -1.98 0.17 116.42 123.72 2jri h ASP 145 Ca -0.46 0.08 -0.02 0.00 -0.62 0.00 0.00 57.03 56.01 2jri h ASP 145 Cb 1.30 0.32 -0.04 0.00 0.18 0.00 0.00 39.33 41.09 2jri h ASP 145 CO 0.57 -0.55 0.45 0.74 -3.12 0.00 0.00 179.24 177.34 2jri h THR 146 N -0.83 1.25 -0.39 0.35 2.02 -2.01 -2.65 112.91 110.65 2jri h THR 146 Ca -0.04 -0.64 -0.12 0.00 0.77 0.00 0.00 66.41 66.38 2jri h THR 146 Cb 0.72 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2jri h THR 146 CO -0.02 0.29 -0.23 0.22 0.37 0.00 0.00 175.52 176.15 2jri h TYR 147 N 1.20 0.88 -0.64 3.16 3.20 -1.87 -2.99 116.97 119.90 2jri h TYR 147 Ca 0.30 -0.20 0.03 0.00 3.14 0.00 0.00 58.73 62.00 2jri h TYR 147 Cb 0.05 -0.21 -0.04 0.00 1.54 0.00 0.00 36.73 38.07 2jri h TYR 147 CO 0.01 0.93 0.39 1.25 -1.64 0.00 0.00 178.16 179.09 2jri h LEU 148 N 0.67 0.62 -1.24 2.82 5.85 -0.30 0.69 115.31 124.41 2jri h LEU 148 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2jri h LEU 148 Cb 0.74 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.61 2jri h LEU 148 CO 0.06 0.43 0.41 0.00 -0.34 0.00 0.00 178.44 178.99 2jri h ALA 149 N 1.29 1.43 0.05 1.25 0.00 -1.39 -0.16 119.26 121.73 2jri h ALA 149 Ca 0.26 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.92 2jri h ALA 149 Cb 0.06 -0.28 0.02 0.00 0.00 0.00 0.00 17.79 17.59 2jri h ALA 149 CO -0.12 0.49 -0.72 1.25 0.00 0.00 0.00 179.25 180.15 2jri h LEU 150 N 0.94 0.54 -0.43 0.00 5.85 -1.17 -3.23 115.31 117.82 2jri h LEU 150 Ca 0.25 -0.83 0.06 0.00 0.84 0.00 0.00 57.88 58.20 2jri h LEU 150 Cb -0.03 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2jri h LEU 150 CO -0.05 1.31 0.15 0.15 -0.34 0.00 0.00 178.44 179.66 2jri h PHE 151 N -0.15 0.26 -0.91 1.25 3.57 0.66 -0.03 116.94 121.58 2jri h PHE 151 Ca -0.11 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.47 2jri h PHE 151 Cb 1.47 -0.05 -0.06 0.00 2.79 0.00 0.00 35.95 40.10 2jri h PHE 151 CO 0.16 0.09 0.60 -0.07 -2.23 0.00 0.00 178.31 176.86 2jri h LEU 152 N 0.31 0.94 -0.24 0.59 -0.00 -1.13 -1.57 115.31 114.21 2jri h LEU 152 Ca 0.20 0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.88 2jri h LEU 152 Cb 0.20 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2jri h LEU 152 CO -0.21 0.62 -0.68 0.00 -0.00 0.00 0.00 178.44 178.18 2jri h ALA 153 N 1.49 0.40 -0.19 1.53 0.00 -1.37 -3.10 119.26 118.02 2jri h ALA 153 Ca 0.38 -0.56 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2jri h ALA 153 Cb 0.13 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2jri h ALA 153 CO -0.13 0.69 0.05 1.96 0.00 0.00 0.00 179.25 181.81 2jri h GLN 154 N 0.58 0.27 -0.40 0.00 1.08 -0.28 -1.48 115.11 114.88 2jri h GLN 154 Ca -0.02 -0.03 -0.04 0.00 -1.45 0.00 0.00 58.65 57.10 2jri h GLN 154 Cb 1.29 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 2jri h GLN 154 CO 0.14 0.26 0.08 -0.07 -0.95 0.00 0.00 178.83 178.28 2jri h LEU 155 N 0.27 0.62 -0.90 1.46 3.38 -1.24 0.12 115.31 119.01 2jri h LEU 155 Ca 0.07 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2jri h LEU 155 Cb 0.11 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2jri h LEU 155 CO -0.00 0.71 -0.29 1.56 0.09 0.00 0.00 178.44 180.50 2jri h GLN 156 N 0.50 0.46 0.05 1.13 4.20 -1.39 0.29 115.11 120.35 2jri h GLN 156 Ca 0.12 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.64 2jri h GLN 156 Cb 0.34 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.10 2jri h GLN 156 CO 0.01 0.71 -0.02 1.96 -0.67 0.00 0.00 178.83 180.81 2jri h GLN 157 N 0.40 -0.07 -0.57 1.46 4.20 -1.01 -3.30 115.11 116.23 2jri h GLN 157 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2jri h GLN 157 Cb 0.72 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.49 2jri h GLN 157 CO 0.06 0.41 0.17 1.49 -0.67 0.00 0.00 178.83 180.29 2jri h GLU 158 N -0.57 0.88 0.00 1.46 4.57 -0.73 -3.47 114.58 116.72 2jri h GLU 158 Ca -0.01 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2jri h GLU 158 Cb 0.51 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2jri h GLU 158 CO 0.01 0.80 0.00 0.41 -1.18 0.00 0.00 179.01 179.05 2jri n GLY 159 N -0.70 0.68 0.00 1.92 0.00 -0.39 -5.10 105.19 101.60 2jri n GLY 159 Ca 0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2jri n GLY 159 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2jri n TYR 160 N 0.00 -0.40 -3.18 1.61 4.02 -0.05 -4.82 117.16 114.34 2jri n TYR 160 Ca 0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.73 2jri n TYR 160 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 2jri n TYR 160 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 176.86 174.73 2jri s SER 161 N -1.00 0.33 -0.53 7.72 0.01 0.06 -4.88 113.70 115.41 2jri s SER 161 Ca 0.00 -2.14 -0.27 0.00 1.31 0.00 0.00 55.95 54.85 2jri s SER 161 Cb 0.00 0.68 -0.03 0.00 0.21 0.00 0.00 66.02 66.88 2jri s SER 161 CO 0.00 -0.16 1.91 -0.63 0.41 0.00 0.00 173.24 174.77 2jri s ILE 162 N 0.77 3.35 -0.66 1.44 1.01 -1.26 -1.39 121.20 124.45 2jri s ILE 162 Ca 0.27 0.25 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 2jri s ILE 162 Cb -0.03 -3.76 0.16 0.00 0.01 0.00 0.00 42.46 38.83 2jri s ILE 162 CO -0.10 -0.68 0.65 -0.36 0.00 0.00 0.00 174.94 174.45 2jri s PHE 163 N 8.89 3.39 -0.12 3.97 0.08 0.93 -0.77 117.98 134.36 2jri s PHE 163 Ca 0.74 -1.49 -0.18 0.00 0.12 0.00 0.00 56.93 56.12 2jri s PHE 163 Cb -0.16 -3.86 -0.04 0.00 -0.57 0.00 0.00 43.02 38.39 2jri s PHE 163 CO 0.25 -1.07 0.47 0.54 -0.10 0.00 0.00 175.22 175.30 2jri s VAL 164 N 1.30 5.19 0.23 -0.44 0.11 0.58 -0.64 120.40 126.73 2jri s VAL 164 Ca 0.11 0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 59.85 2jri s VAL 164 Cb -0.21 -3.81 -0.09 0.00 -1.53 0.00 0.00 36.38 30.74 2jri s VAL 164 CO -0.01 0.33 0.81 -0.69 -3.33 0.00 0.00 175.10 172.21 2jri s VAL 165 N 0.59 4.38 -0.04 2.04 1.01 -0.18 -0.27 120.40 127.94 2jri s VAL 165 Ca 0.25 1.61 0.07 0.00 0.00 0.00 0.00 61.98 63.91 2jri s VAL 165 Cb -0.15 -4.02 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 2jri s VAL 165 CO 0.10 0.31 -0.25 -0.54 0.00 0.00 0.00 175.10 174.73 2jri s LYS 166 N -1.67 2.30 0.00 2.72 -0.14 0.12 -4.51 119.74 118.56 2jri s LYS 166 Ca 0.42 -0.88 0.00 0.00 -1.36 0.00 0.00 55.97 54.15 2jri s LYS 166 Cb -0.20 -2.05 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 2jri s LYS 166 CO 0.24 0.44 0.00 0.41 -0.76 0.00 0.00 175.35 175.68 2jri n GLY 167 N 2.77 -0.04 3.71 -3.33 0.00 -1.26 -1.71 105.19 105.32 2jri n GLY 167 Ca -0.17 -2.28 -0.42 0.00 0.00 0.00 0.00 46.02 43.15 2jri n GLY 167 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jri s ASP 168 N -2.96 7.24 0.01 1.61 1.11 -1.26 -4.96 116.67 117.46 2jri s ASP 168 Ca 0.00 1.77 0.08 0.00 0.18 0.00 0.00 52.55 54.59 2jri s ASP 168 Cb 0.00 -2.57 -0.02 0.00 1.07 0.00 0.00 42.92 41.39 2jri s ASP 168 CO 0.00 -0.37 -0.25 -0.76 1.18 0.00 0.00 175.17 174.97 2jri s LEU 169 N 1.22 2.18 0.33 1.23 1.02 -1.26 -4.95 118.68 118.45 2jri s LEU 169 Ca 0.54 -0.49 -0.29 0.00 0.02 0.00 0.00 54.13 53.91 2jri s LEU 169 Cb -0.24 -1.35 -0.11 0.00 0.02 0.00 0.00 46.19 44.52 2jri s LEU 169 CO 0.27 0.29 1.39 -2.16 0.02 0.00 0.00 176.35 176.17 2jri s PRO 170 N -0.92 4.26 0.34 1.29 0.04 -1.26 -5.04 135.00 133.71 2jri s PRO 170 Ca 0.11 2.35 0.07 0.00 0.04 0.00 0.00 61.00 63.57 2jri s PRO 170 Cb -0.10 -3.04 -0.07 0.00 0.04 0.00 0.00 34.50 31.33 2jri s PRO 170 CO 0.01 -0.35 -0.02 0.16 0.04 0.00 0.00 177.00 176.84 2jri s ASP 171 N -0.22 3.22 0.00 6.66 -4.77 -1.26 -4.75 116.67 115.54 2jri s ASP 171 Ca 0.52 -1.29 0.00 0.00 -3.30 0.00 0.00 52.55 48.49 2jri s ASP 171 Cb -0.42 -0.26 0.00 0.00 -1.09 0.00 0.00 42.92 41.15 2jri s ASP 171 CO 0.55 -0.40 0.00 0.00 0.70 0.00 0.00 175.17 176.02 2jri h GLU 173 N 0.00 0.81 -0.03 0.00 4.57 -1.92 -1.18 114.58 116.83 2jri h GLU 173 Ca 0.00 -0.05 0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2jri h GLU 173 Cb 0.00 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.41 2jri h GLU 173 CO 0.00 0.53 0.10 0.00 -1.18 0.00 0.00 179.01 178.46 2jri h ALA 174 N 1.58 1.28 0.01 2.92 0.00 -1.96 0.26 119.26 123.34 2jri h ALA 174 Ca 0.48 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 55.06 2jri h ALA 174 Cb 0.63 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 2jri h ALA 174 CO -0.25 -0.11 -2.04 -3.47 0.00 0.00 0.00 179.25 173.38 2jri n ASP 175 N -3.28 0.62 0.02 0.00 2.03 -0.46 -3.50 116.55 111.97 2jri n ASP 175 Ca -0.02 0.21 -0.08 0.00 0.52 0.00 0.00 54.79 55.41 2jri n ASP 175 Cb 0.17 0.32 -0.13 0.00 -0.72 0.00 0.00 41.12 40.76 2jri n ASP 175 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2jri h GLN 176 N 0.00 0.01 0.00 -0.67 4.20 -1.10 -2.84 115.11 114.72 2jri h GLN 176 Ca -0.42 -0.03 -0.14 0.00 0.06 0.00 0.00 58.65 58.13 2jri h GLN 176 Cb 2.11 0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.88 2jri h GLN 176 CO 0.05 0.75 -1.12 1.37 -0.67 0.00 0.00 178.83 179.21 2jri h LEU 177 N 0.00 0.00 -1.64 1.46 8.10 -0.74 -3.33 115.31 119.16 2jri h LEU 177 Ca -0.17 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 57.82 2jri h LEU 177 Cb 1.91 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 42.13 2jri h LEU 177 CO 0.11 0.52 0.00 0.18 -4.11 0.00 0.00 178.44 175.14 2jri n LEU 178 N -2.97 2.28 -0.14 0.17 7.99 -1.23 -3.61 117.00 119.49 2jri n LEU 178 Ca -0.06 -1.14 0.12 0.00 -0.01 0.00 0.00 56.01 54.92 2jri n LEU 178 Cb 0.79 -0.50 0.24 0.00 -0.11 0.00 0.00 43.42 43.84 2jri n LEU 178 CO 0.42 0.41 0.47 0.00 -1.51 0.00 0.00 177.39 177.18 2jri n GLN 179 N 0.31 0.45 -0.96 3.23 1.13 -1.25 -3.91 117.38 116.37 2jri n GLN 179 Ca 0.00 -0.29 0.02 0.00 -1.94 0.00 0.00 57.00 54.80 2jri n GLN 179 Cb 0.41 -1.49 0.02 0.00 0.11 0.00 0.00 30.24 29.29 2jri n GLN 179 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jri n MET 180 N -1.03 0.10 -3.41 -1.09 0.00 -1.24 -5.00 117.12 105.45 2jri n MET 180 Ca 0.08 -1.60 -0.37 0.00 0.00 0.00 0.00 57.70 55.81 2jri n MET 180 Cb 0.35 -0.34 -0.06 0.00 0.00 0.00 0.00 33.22 33.17 2jri n MET 180 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 2jri s ILE 181 N -0.20 5.22 0.00 3.17 -1.09 -1.26 -5.18 121.20 121.86 2jri s ILE 181 Ca 0.18 0.79 0.00 0.00 -2.23 0.00 0.00 60.65 59.40 2jri s ILE 181 Cb 0.20 -3.74 0.00 0.00 -1.58 0.00 0.00 42.46 37.34 2jri s ILE 181 CO -0.08 0.37 0.00 -1.14 -1.23 0.00 0.00 174.94 172.86