#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 -2.51 2.12 4.71 -1.26 -4.88 120.64 118.81 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 -1.00 6.26 -0.03 1.62 0.01 -1.26 -4.96 113.70 114.34 2jri s SER 3 Ca 0.00 -0.97 0.05 0.00 1.31 0.00 0.00 55.95 56.34 2jri s SER 3 Cb 0.00 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.66 2jri s SER 3 CO 0.00 -1.73 -0.17 -0.63 0.41 0.00 0.00 173.24 171.12 2jri s ILE 4 N 5.68 1.38 -1.10 1.44 1.01 -1.26 -3.33 121.20 125.01 2jri s ILE 4 Ca 0.44 -0.71 -0.20 0.00 0.00 0.00 0.00 60.65 60.18 2jri s ILE 4 Cb -0.04 -1.17 0.07 0.00 0.01 0.00 0.00 42.46 41.33 2jri s ILE 4 CO 0.01 0.40 1.48 -0.36 0.00 0.00 0.00 174.94 176.47 2jri s PHE 5 N -0.10 2.74 -0.90 3.97 0.08 -1.26 -4.86 117.98 117.65 2jri s PHE 5 Ca -0.00 -1.21 -0.00 0.00 0.12 0.00 0.00 56.93 55.83 2jri s PHE 5 Cb -0.10 -4.64 0.27 0.00 -0.57 0.00 0.00 43.02 37.99 2jri s PHE 5 CO 0.01 -1.81 1.08 1.58 -0.10 0.00 0.00 175.22 175.98 2jri n HIS 6 N 8.24 3.26 -1.99 0.36 -0.00 -1.26 -4.74 115.22 119.10 2jri n HIS 6 Ca 0.36 -3.49 -0.42 0.00 -0.00 0.00 0.00 57.72 54.17 2jri n HIS 6 Cb 0.49 -1.01 -0.03 0.00 -0.00 0.00 0.00 29.99 29.44 2jri n HIS 6 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.34 175.13 2jri s GLU 7 N -2.34 4.22 -0.16 1.57 0.41 -1.26 -5.00 118.70 116.14 2jri s GLU 7 Ca 0.33 2.28 0.01 0.00 -0.41 0.00 0.00 54.97 57.18 2jri s GLU 7 Cb 0.05 -3.42 0.01 0.00 -1.78 0.00 0.00 34.13 28.99 2jri s GLU 7 CO 0.01 -0.65 -0.17 0.21 -0.49 0.00 0.00 175.26 174.17 2jri s LYS 8 N 1.98 3.13 0.13 1.61 2.47 -1.26 -4.85 119.74 122.95 2jri s LYS 8 Ca 0.71 -0.79 0.01 0.00 -1.56 0.00 0.00 55.97 54.34 2jri s LYS 8 Cb -0.40 -2.58 -0.04 0.00 -1.46 0.00 0.00 37.83 33.35 2jri s LYS 8 CO 0.31 -0.04 -0.01 1.14 0.16 0.00 0.00 175.35 176.91 2jri s GLN 9 N 0.93 0.94 0.06 4.03 0.00 -1.26 -5.15 119.66 119.21 2jri s GLN 9 Ca -0.03 -1.43 -0.03 0.00 -0.00 0.00 0.00 55.36 53.87 2jri s GLN 9 Cb -0.15 -0.10 -0.03 0.00 0.00 0.00 0.00 33.01 32.73 2jri s GLN 9 CO -0.03 -0.12 0.02 -1.21 0.00 0.00 0.00 175.29 173.95 2jri s GLU 10 N -3.92 0.64 -0.28 9.60 2.02 -1.26 -4.94 118.70 120.56 2jri s GLU 10 Ca 0.19 -1.11 -0.04 0.00 0.02 0.00 0.00 54.97 54.03 2jri s GLU 10 Cb 0.06 0.23 0.00 0.00 0.10 0.00 0.00 34.13 34.53 2jri s GLU 10 CO -0.00 -0.14 0.31 0.41 0.02 0.00 0.00 175.26 175.86 2jri n GLY 11 N 0.19 -0.87 7.00 -1.39 0.00 -1.26 -4.86 105.19 104.00 2jri n GLY 11 Ca -0.15 0.34 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.89 -1.92 -1.92 1.61 7.64 -1.26 -4.88 113.62 111.99 2jri n SER 12 Ca 0.03 0.00 -0.19 0.00 1.01 0.00 0.00 58.87 59.72 2jri n SER 12 Cb 0.36 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 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 -1.54 0.24 -3.43 7.99 -1.22 -4.83 117.00 114.21 2jri n LEU 13 Ca 0.00 0.28 0.17 0.00 -0.01 0.00 0.00 56.01 56.44 2jri n LEU 13 Cb 0.00 -2.69 0.79 0.00 -0.11 0.00 0.00 43.42 41.40 2jri n LEU 13 CO 0.00 -0.64 0.99 0.00 -1.51 0.00 0.00 177.39 176.23 2jri h ALA 15 N 2.06 1.23 -0.14 0.00 0.00 -1.95 -1.39 119.26 119.06 2jri h ALA 15 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2jri h ALA 15 Cb 0.23 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2jri h ALA 15 CO 0.00 0.46 0.00 0.94 0.00 0.00 0.00 179.25 180.65 2jri n GLN 16 N -3.87 1.58 0.02 0.00 7.27 -0.55 -3.31 117.38 118.52 2jri n GLN 16 Ca -0.01 -0.61 -0.01 0.00 0.07 0.00 0.00 57.00 56.44 2jri n GLN 16 Cb 0.43 -1.37 -0.00 0.00 2.41 0.00 0.00 30.24 31.71 2jri n GLN 16 CO 0.00 0.00 0.00 1.58 0.07 0.00 0.00 177.06 178.71 2jri n HIS 17 N 0.04 0.00 0.00 3.69 -0.00 -0.59 -4.41 115.22 113.95 2jri n HIS 17 Ca 0.06 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.14 2jri n HIS 17 Cb 0.28 -0.04 -0.03 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 -0.21 0.06 -1.73 0.00 6.46 -1.83 0.36 115.31 118.42 2jri h LEU 19 Ca 0.09 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.51 2jri h LEU 19 Cb 0.34 -0.01 -0.01 0.00 -0.73 0.00 0.00 40.66 40.25 2jri h LEU 19 CO -0.24 0.35 -0.17 0.78 -0.62 0.00 0.00 178.44 178.53 2jri h ASN 20 N -0.24 0.00 0.43 1.25 2.35 -1.71 0.15 115.58 117.82 2jri h ASN 20 Ca 0.01 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.45 2jri h ASN 20 Cb 0.32 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.68 2jri h ASN 20 CO 0.00 0.17 -1.58 0.78 -1.65 0.00 0.00 177.43 175.16 2jri h ASN 21 N 0.00 0.36 -0.06 5.81 -0.26 -0.16 0.30 115.58 121.56 2jri h ASN 21 Ca -0.00 -0.53 -0.02 0.00 -0.56 0.00 0.00 56.30 55.19 2jri h ASN 21 Cb 0.40 -0.12 -0.00 0.00 -1.06 0.00 0.00 38.32 37.54 2jri h ASN 21 CO 0.02 1.44 -0.04 0.25 -1.06 0.00 0.00 177.43 178.05 2jri h LEU 22 N 0.06 0.13 -0.05 1.61 7.12 -0.48 -3.04 115.31 120.67 2jri h LEU 22 Ca -0.26 -0.45 0.00 0.00 0.13 0.00 0.00 57.88 57.30 2jri h LEU 22 Cb 2.01 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 42.11 2jri h LEU 22 CO 0.15 0.55 0.00 0.18 -0.13 0.00 0.00 178.44 179.19 2jri n LEU 23 N -4.77 0.80 -2.38 2.25 4.77 0.50 -4.93 117.00 113.24 2jri n LEU 23 Ca -0.07 0.58 -0.03 0.00 -0.03 0.00 0.00 56.01 56.46 2jri n LEU 23 Cb 0.27 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2jri n LEU 23 CO 0.35 -0.20 0.10 0.00 -1.33 0.00 0.00 177.39 176.30 2jri n GLN 24 N -2.26 -1.24 0.00 3.23 1.13 -0.75 -4.75 117.38 112.75 2jri n GLN 24 Ca 0.05 1.37 0.00 0.00 -1.94 0.00 0.00 57.00 56.48 2jri n GLN 24 Cb 0.42 -4.10 0.00 0.00 0.11 0.00 0.00 30.24 26.66 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 -0.76 1.60 3.52 1.08 0.00 0.98 -4.82 105.19 106.78 2jri n GLY 25 Ca 0.05 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.63 2jri n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2jri s GLU 26 N -1.30 3.32 0.00 1.61 2.12 -1.26 -4.34 118.70 118.85 2jri s GLU 26 Ca 0.00 -0.31 -0.05 0.00 0.36 0.00 0.00 54.97 54.98 2jri s GLU 26 Cb 0.00 -4.04 -0.02 0.00 0.26 0.00 0.00 34.13 30.33 2jri s GLU 26 CO 0.00 -1.39 -0.09 0.66 -0.54 0.00 0.00 175.26 173.90 2jri n TYR 27 N 7.17 0.00 -3.80 5.30 4.02 -1.26 -5.05 117.16 123.54 2jri n TYR 27 Ca 0.01 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.54 2jri n TYR 27 Cb 0.47 -0.16 -0.06 0.00 -0.02 0.00 0.00 39.34 39.58 2jri n TYR 27 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 176.86 175.79 2jri s PHE 28 N -2.22 3.61 0.34 -0.72 0.40 -1.26 -5.11 117.98 113.02 2jri s PHE 28 Ca -0.08 0.59 0.05 0.00 -0.60 0.00 0.00 56.93 56.89 2jri s PHE 28 Cb 0.02 -1.99 -0.01 0.00 0.51 0.00 0.00 43.02 41.55 2jri s PHE 28 CO 0.12 0.69 0.48 -1.12 0.70 0.00 0.00 175.22 176.09 2jri s SER 29 N -1.27 6.01 0.26 1.36 0.01 -1.26 -4.93 113.70 113.88 2jri s SER 29 Ca 0.20 -0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.37 2jri s SER 29 Cb -0.13 -1.38 0.55 0.00 0.21 0.00 0.00 66.02 65.27 2jri s SER 29 CO 0.09 -0.41 1.69 -0.65 0.41 0.00 0.00 173.24 174.37 2jri h PRO 30 N 0.86 0.30 -0.10 12.44 0.11 -1.99 0.42 132.00 144.05 2jri h PRO 30 Ca -0.47 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.59 2jri h PRO 30 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2jri h PRO 30 CO 0.55 0.20 -0.10 -0.24 -0.21 0.00 0.00 178.00 178.19 2jri h VAL 31 N 0.31 1.13 -0.01 3.15 3.04 -1.99 -1.46 116.25 120.42 2jri h VAL 31 Ca 0.47 -0.57 -0.14 0.00 -1.01 0.00 0.00 66.70 65.44 2jri h VAL 31 Cb 0.83 1.17 0.01 0.00 -2.01 0.00 0.00 31.29 31.29 2jri h VAL 31 CO -0.53 0.18 -0.54 -0.33 -1.01 0.00 0.00 177.57 175.34 2jri h GLU 32 N 0.14 0.39 -0.34 4.17 5.08 -1.36 -2.29 114.58 120.37 2jri h GLU 32 Ca 0.03 -0.40 0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2jri h GLU 32 Cb 0.27 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2jri h GLU 32 CO 0.02 1.07 0.22 -0.07 -1.00 0.00 0.00 179.01 179.25 2jri h LEU 33 N -0.14 0.39 0.00 1.33 3.38 -0.86 -0.87 115.31 118.55 2jri h LEU 33 Ca -0.06 -0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2jri h LEU 33 Cb 1.25 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 2jri h LEU 33 CO 0.11 0.29 -0.61 0.28 0.09 0.00 0.00 178.44 178.59 2jri h SER 34 N 0.46 0.00 0.16 -0.43 0.02 -1.28 -3.23 113.55 109.25 2jri h SER 34 Ca 0.12 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.76 2jri h SER 34 Cb -0.05 0.00 0.03 0.00 0.14 0.00 0.00 62.40 62.52 2jri h SER 34 CO -0.03 0.50 -1.32 0.28 -1.14 0.00 0.00 176.83 175.13 2jri h SER 35 N 0.00 0.88 0.60 3.07 0.02 -0.64 -3.24 113.55 114.23 2jri h SER 35 Ca -0.02 -0.85 -0.03 0.00 -0.84 0.00 0.00 61.79 60.05 2jri h SER 35 Cb 1.40 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2jri h SER 35 CO 0.06 1.65 -0.13 0.16 -1.14 0.00 0.00 176.83 177.44 2jri h ILE 36 N 0.24 0.44 -0.42 3.27 3.07 -1.31 -2.71 117.51 120.10 2jri h ILE 36 Ca -0.21 -0.67 -0.09 0.00 1.55 0.00 0.00 64.86 65.44 2jri h ILE 36 Cb 2.00 1.47 -0.01 0.00 -0.27 0.00 0.00 36.82 40.01 2jri h ILE 36 CO 0.25 0.12 -0.10 0.00 -1.05 0.00 0.00 178.15 177.37 2jri h ALA 37 N 1.87 0.57 0.00 0.16 0.00 -1.58 -2.82 119.26 117.47 2jri h ALA 37 Ca -0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jri h ALA 37 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2jri h ALA 37 CO 0.02 0.45 0.00 1.25 0.00 0.00 0.00 179.25 180.97 2jri h HIS 38 N 0.63 0.00 0.00 0.00 2.76 -1.54 -2.31 115.15 114.68 2jri h HIS 38 Ca 0.11 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.23 2jri h HIS 38 Cb 0.63 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2jri h HIS 38 CO 0.05 0.00 -0.19 0.37 -1.30 0.00 0.00 177.93 176.86 2jri h GLN 39 N 0.00 0.00 -0.05 5.26 4.15 -1.43 -1.52 115.11 121.52 2jri h GLN 39 Ca 0.00 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.32 2jri h GLN 39 Cb 0.48 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.16 2jri h GLN 39 CO 0.00 0.19 -0.43 -0.07 -1.93 0.00 0.00 178.83 176.60 2jri h LEU 40 N 0.00 0.12 -0.84 -2.39 -0.00 -1.50 -2.37 115.31 108.33 2jri h LEU 40 Ca -0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.82 2jri h LEU 40 Cb 0.52 -0.03 -0.04 0.00 -0.00 0.00 0.00 40.66 41.10 2jri h LEU 40 CO 0.03 0.54 0.49 -0.78 -0.00 0.00 0.00 178.44 178.71 2jri h ASP 41 N 0.10 1.02 -0.29 -0.43 3.58 -1.30 0.39 116.42 119.48 2jri h ASP 41 Ca 0.01 -0.08 0.01 0.00 0.42 0.00 0.00 57.03 57.39 2jri h ASP 41 Cb 0.80 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 2jri h ASP 41 CO 0.06 0.80 0.17 -0.08 -2.88 0.00 0.00 179.24 177.31 2jri h GLU 42 N 1.16 0.34 -0.35 0.28 4.57 -1.38 0.10 114.58 119.30 2jri h GLU 42 Ca 0.30 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.43 2jri h GLU 42 Cb -0.02 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2jri h GLU 42 CO -0.05 0.23 0.11 0.93 -1.18 0.00 0.00 179.01 179.04 2jri h GLU 43 N 0.35 0.55 -0.39 1.92 5.08 -1.02 -1.05 114.58 120.01 2jri h GLU 43 Ca 0.11 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2jri h GLU 43 Cb -0.01 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 2jri h GLU 43 CO -0.05 0.57 0.25 0.93 -1.00 0.00 0.00 179.01 179.71 2jri h GLU 44 N 0.42 0.49 -0.80 2.33 4.39 0.07 -0.32 114.58 121.16 2jri h GLU 44 Ca 0.11 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.74 2jri h GLU 44 Cb 0.25 -0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.76 2jri h GLU 44 CO -0.00 0.32 0.33 -0.09 -1.16 0.00 0.00 179.01 178.41 2jri h ARG 45 N 0.50 1.18 -0.76 2.33 2.43 -0.67 0.12 114.38 119.51 2jri h ARG 45 Ca 0.15 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2jri h ARG 45 Cb -0.03 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.29 2jri h ARG 45 CO -0.05 0.95 0.37 0.52 -1.51 0.00 0.00 179.97 180.25 2jri h MET 46 N 1.16 1.09 -0.17 0.20 2.86 -0.66 -1.82 114.93 117.59 2jri h MET 46 Ca 0.27 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.63 2jri h MET 46 Cb 0.20 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.65 2jri h MET 46 CO -0.02 0.83 -0.46 -0.09 1.06 0.00 0.00 176.91 178.23 2jri h ARG 47 N 1.08 0.43 0.08 1.72 1.12 -0.41 -0.69 114.38 117.70 2jri h ARG 47 Ca 0.26 -0.23 -0.00 0.00 -1.11 0.00 0.00 59.98 58.90 2jri h ARG 47 Cb 0.09 0.01 -0.00 0.00 -0.01 0.00 0.00 29.97 30.06 2jri h ARG 47 CO -0.04 0.80 -0.06 0.52 -3.11 0.00 0.00 179.97 178.09 2jri h MET 48 N 0.35 -0.14 -0.10 0.20 2.86 -0.20 0.14 114.93 118.04 2jri h MET 48 Ca 0.02 0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.58 2jri h MET 48 Cb 0.94 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.62 2jri h MET 48 CO 0.08 -0.09 -0.35 0.00 1.06 0.00 0.00 176.91 177.61 2jri h ALA 49 N 0.78 1.22 -0.13 6.32 0.00 -1.32 0.16 119.26 126.29 2jri h ALA 49 Ca -0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2jri h ALA 49 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2jri h ALA 49 CO 0.00 0.53 0.04 1.49 0.00 0.00 0.00 179.25 181.31 2jri h GLU 50 N 0.18 0.21 -0.10 0.00 4.57 -0.60 -3.22 114.58 115.63 2jri h GLU 50 Ca 0.02 -0.05 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2jri h GLU 50 Cb 0.71 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 2jri h GLU 50 CO 0.05 0.35 -0.33 0.78 -1.18 0.00 0.00 179.01 178.68 2jri h GLY 51 N 0.02 0.44 0.00 1.92 0.00 -0.56 -3.49 103.07 101.40 2jri h GLY 51 Ca 0.04 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.80 2jri h GLY 51 CO -0.00 0.51 0.00 0.61 0.00 0.00 0.00 176.54 177.66 2jri n GLY 52 N 0.61 0.84 3.90 4.60 0.00 0.55 -5.10 105.19 110.59 2jri n GLY 52 Ca -0.08 -0.82 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 2jri n GLY 52 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jri s VAL 53 N -1.78 4.50 0.78 1.61 -7.23 -1.07 -5.06 120.40 112.15 2jri s VAL 53 Ca 0.00 0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.29 2jri s VAL 53 Cb 0.00 -3.74 0.06 0.00 0.56 0.00 0.00 36.38 33.26 2jri s VAL 53 CO 0.00 -0.77 1.09 -0.89 -0.31 0.00 0.00 175.10 174.22 2jri s THR 54 N -2.88 3.26 0.19 5.32 2.01 -1.26 -4.74 115.64 117.54 2jri s THR 54 Ca 0.50 0.41 -0.12 0.00 0.31 0.00 0.00 61.69 62.80 2jri s THR 54 Cb -0.10 -2.88 0.11 0.00 0.01 0.00 0.00 72.50 69.64 2jri s THR 54 CO 0.46 -0.53 1.74 0.77 -0.69 0.00 0.00 174.62 176.37 2jri h SER 55 N -1.17 0.15 -0.57 3.53 4.64 -1.98 0.26 113.55 118.40 2jri h SER 55 Ca -0.44 0.07 0.02 0.00 -0.47 0.00 0.00 61.79 60.98 2jri h SER 55 Cb 1.23 0.07 -0.04 0.00 -0.31 0.00 0.00 62.40 63.36 2jri h SER 55 CO 0.51 0.11 0.35 -0.33 -0.87 0.00 0.00 176.83 176.60 2jri h GLU 56 N 0.34 0.68 -0.33 4.77 3.07 -1.99 -1.05 114.58 120.06 2jri h GLU 56 Ca 0.26 -0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.03 2jri h GLU 56 Cb 0.32 -0.15 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2jri h GLU 56 CO -0.29 0.45 0.01 -0.44 -1.40 0.00 0.00 179.01 177.35 2jri h ASP 57 N 0.70 0.57 -0.84 1.42 3.32 -1.70 -0.43 116.42 119.46 2jri h ASP 57 Ca 0.23 -0.30 0.09 0.00 0.02 0.00 0.00 57.03 57.07 2jri h ASP 57 Cb 0.00 -0.15 -0.07 0.00 0.22 0.00 0.00 39.33 39.33 2jri h ASP 57 CO -0.09 0.72 0.49 0.22 -1.72 0.00 0.00 179.24 178.86 2jri h TYR 58 N 0.39 0.88 0.06 4.55 5.03 -0.10 0.22 116.97 128.00 2jri h TYR 58 Ca 0.10 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 2jri h TYR 58 Cb 0.42 -0.27 0.00 0.00 1.55 0.00 0.00 36.73 38.43 2jri h TYR 58 CO 0.03 0.37 -0.03 -0.09 -1.32 0.00 0.00 178.16 177.12 2jri h ARG 59 N 0.82 -0.08 -0.78 1.82 1.12 -1.03 -2.52 114.38 113.73 2jri h ARG 59 Ca 0.40 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 59.28 2jri h ARG 59 Cb 0.36 0.02 -0.04 0.00 -0.01 0.00 0.00 29.97 30.30 2jri h ARG 59 CO -0.24 0.49 0.49 1.79 -3.11 0.00 0.00 179.97 179.39 2jri h THR 60 N -0.75 1.21 0.00 0.20 1.35 -0.84 -1.90 112.91 112.18 2jri h THR 60 Ca -0.01 -0.43 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 2jri h THR 60 Cb 0.61 0.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.13 2jri h THR 60 CO 0.01 0.21 0.00 -0.26 -0.25 0.00 0.00 175.52 175.24 2jri h PHE 61 N 1.06 0.00 -0.08 4.73 -1.00 -0.67 -2.95 116.94 118.02 2jri h PHE 61 Ca 0.28 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.94 2jri h PHE 61 Cb -0.08 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.47 2jri h PHE 61 CO -0.01 0.00 -0.49 -0.07 -1.61 0.00 0.00 178.31 176.12 2jri h LEU 62 N 0.00 0.23 -3.15 1.54 3.38 -0.88 -2.58 115.31 113.85 2jri h LEU 62 Ca 0.00 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jri h LEU 62 Cb 0.72 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2jri h LEU 62 CO 0.00 0.69 0.00 1.67 0.09 0.00 0.00 178.44 180.89 2jri n GLN 63 N -3.96 3.98 -2.20 1.13 7.27 -1.13 -4.79 117.38 117.68 2jri n GLN 63 Ca -0.02 -2.87 -0.36 0.00 0.07 0.00 0.00 57.00 53.83 2jri n GLN 63 Cb 0.54 -1.99 0.00 0.00 2.41 0.00 0.00 30.24 31.20 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 -2.08 3.42 1.11 3.69 2.00 -0.97 -4.94 119.66 121.88 2jri s GLN 64 Ca 0.51 1.72 -0.12 0.00 -2.00 0.00 0.00 55.36 55.47 2jri s GLN 64 Cb 0.34 -2.13 0.26 0.00 0.80 0.00 0.00 33.01 32.28 2jri s GLN 64 CO 0.22 -0.82 1.05 -2.14 -0.50 0.00 0.00 175.29 173.10 2jri s PRO 65 N -3.09 -0.53 0.00 1.67 0.02 -1.26 -3.44 135.00 128.36 2jri s PRO 65 Ca 0.71 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.75 2jri s PRO 65 Cb -0.27 -1.58 0.00 0.00 0.02 0.00 0.00 34.50 32.67 2jri s PRO 65 CO 0.31 -3.52 0.00 0.43 -0.33 0.00 0.00 177.00 173.89 2jri n SER 66 N -4.80 0.00 -0.16 2.53 7.64 -1.26 -4.51 113.62 113.07 2jri n SER 66 Ca 0.05 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.83 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 0.90 0.62 0.23 0.00 -1.81 -3.20 103.07 99.81 2jri h GLY 67 Ca 0.00 -0.70 -0.01 0.00 0.00 0.00 0.00 47.33 46.62 2jri h GLY 67 CO 0.00 0.64 -0.11 3.43 0.00 0.00 0.00 176.54 180.50 2jri h ASN 68 N 0.67 -0.26 0.00 0.19 2.35 -1.79 -3.25 115.58 113.50 2jri h ASN 68 Ca 0.12 -0.24 0.00 0.00 -0.55 0.00 0.00 56.30 55.64 2jri h ASN 68 Cb 0.57 0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.01 2jri h ASN 68 CO 0.03 0.13 0.00 0.80 -1.65 0.00 0.00 177.43 176.74 2jri n MET 69 N -5.06 0.00 -3.02 0.81 0.00 -1.21 -3.86 117.12 104.78 2jri n MET 69 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.61 2jri n MET 69 Cb 0.25 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.47 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 175.97 172.50 2jri n ASP 70 N 0.00 0.00 -0.03 6.12 2.03 -1.26 -4.02 116.55 119.38 2jri n ASP 70 Ca 0.00 0.00 -0.05 0.00 0.52 0.00 0.00 54.79 55.26 2jri n ASP 70 Cb 0.00 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 40.38 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 0.03 1.28 -0.10 1.67 -0.08 -1.26 -4.81 116.55 113.28 2jri n ASP 71 Ca 0.00 0.20 0.00 0.00 -1.51 0.00 0.00 54.79 53.48 2jri n ASP 71 Cb 0.00 -0.54 0.00 0.00 2.34 0.00 0.00 41.12 42.92 2jri n ASP 71 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jri n SER 72 N -3.75 0.00 -0.49 1.67 7.64 -1.26 -4.92 113.62 112.50 2jri n SER 72 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 2jri n SER 72 Cb 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 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 1.32 0.00 0.23 0.00 -1.26 -4.78 105.19 105.70 2jri n GLY 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.04 -1.75 -3.67 1.61 3.72 -1.26 -3.37 117.46 112.78 2jri n PHE 74 Ca 0.00 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.30 2jri n PHE 74 Cb 0.22 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.49 -0.80 0.77 1.38 0.08 -1.26 -4.86 117.98 113.79 2jri s PHE 75 Ca 0.00 1.68 -0.11 0.00 0.12 0.00 0.00 56.93 58.62 2jri s PHE 75 Cb 0.00 0.41 0.05 0.00 -0.57 0.00 0.00 43.02 42.91 2jri s PHE 75 CO 0.00 -0.41 1.09 -1.12 -0.10 0.00 0.00 175.22 174.68 2jri s SER 76 N 1.28 4.70 0.50 1.36 0.01 -1.26 -4.92 113.70 115.38 2jri s SER 76 Ca -0.08 1.38 0.34 0.00 1.31 0.00 0.00 55.95 58.90 2jri s SER 76 Cb -0.06 -2.15 1.74 0.00 0.21 0.00 0.00 66.02 65.76 2jri s SER 76 CO -0.13 -1.84 2.03 -0.29 0.41 0.00 0.00 173.24 173.41 2jri h ILE 77 N -1.00 0.00 0.00 1.44 2.10 -1.96 -2.24 117.51 115.85 2jri h ILE 77 Ca -0.46 -0.10 -0.00 0.00 1.08 0.00 0.00 64.86 65.38 2jri h ILE 77 Cb 1.25 0.90 -0.00 0.00 -1.09 0.00 0.00 36.82 37.89 2jri h ILE 77 CO 0.59 0.00 -0.01 1.56 -1.08 0.00 0.00 178.15 179.21 2jri h GLN 78 N 0.00 0.00 -0.06 2.19 7.50 -1.91 -0.94 115.11 121.89 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 0.11 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.64 2jri h GLN 78 CO 0.00 0.01 0.00 1.33 -1.50 0.00 0.00 178.83 178.67 2jri n VAL 79 N -3.65 0.09 -0.08 -0.54 0.24 -0.84 -3.14 118.33 110.40 2jri n VAL 79 Ca -0.03 -0.09 -0.16 0.00 -2.04 0.00 0.00 64.34 62.02 2jri n VAL 79 Cb 0.09 -0.01 -0.06 0.00 -1.47 0.00 0.00 33.84 32.39 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 -0.36 0.87 -0.02 1.34 2.08 -0.36 -3.96 119.36 118.95 2jri n ILE 80 Ca 0.06 -0.24 -0.11 0.00 0.56 0.00 0.00 62.75 63.01 2jri n ILE 80 Cb 0.08 -1.57 -0.06 0.00 -0.75 0.00 0.00 39.64 37.35 2jri n ILE 80 CO 0.00 0.00 0.00 0.77 0.56 0.00 0.00 176.55 177.88 2jri h SER 81 N -0.45 0.16 1.54 4.38 4.64 -1.63 -2.75 113.55 119.44 2jri h SER 81 Ca -0.39 -0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 60.77 2jri h SER 81 Cb 1.39 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 2jri h SER 81 CO -0.20 0.26 -0.09 -1.13 -0.87 0.00 0.00 176.83 174.80 2jri h ASN 82 N 0.05 0.00 -0.13 4.97 -1.24 -1.82 -3.12 115.58 114.29 2jri h ASN 82 Ca 0.04 0.00 0.01 0.00 0.71 0.00 0.00 56.30 57.06 2jri h ASN 82 Cb 0.14 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2jri h ASN 82 CO -0.00 0.09 0.09 0.00 -1.29 0.00 0.00 177.43 176.31 2jri h ALA 83 N 1.91 1.97 0.00 1.57 0.00 -1.61 -0.95 119.26 122.15 2jri h ALA 83 Ca -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 54.91 54.65 2jri h ALA 83 Cb 0.88 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2jri h ALA 83 CO 0.01 0.01 -1.86 1.28 0.00 0.00 0.00 179.25 178.70 2jri n LEU 84 N -4.52 0.53 0.03 0.00 7.99 -1.20 -4.23 117.00 115.61 2jri n LEU 84 Ca -0.01 0.24 -0.04 0.00 -0.01 0.00 0.00 56.01 56.19 2jri n LEU 84 Cb 0.12 0.23 0.17 0.00 -0.11 0.00 0.00 43.42 43.84 2jri n LEU 84 CO 0.34 0.32 0.66 0.50 -1.51 0.00 0.00 177.39 177.70 2jri h LYS 85 N 0.00 0.43 0.00 3.23 3.64 -1.30 0.07 116.57 122.64 2jri h LYS 85 Ca -0.31 -0.19 -0.02 0.00 -1.27 0.00 0.00 60.65 58.86 2jri h LYS 85 Cb 1.88 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.69 2jri h LYS 85 CO 0.05 0.73 -0.10 -0.39 -2.27 0.00 0.00 179.45 177.47 2jri h VAL 86 N 0.37 0.56 -0.01 2.00 -1.51 -1.38 0.19 116.25 116.47 2jri h VAL 86 Ca 0.04 -0.43 0.00 0.00 -1.23 0.00 0.00 66.70 65.09 2jri h VAL 86 Cb 0.80 1.28 0.00 0.00 -2.13 0.00 0.00 31.29 31.23 2jri h VAL 86 CO 0.06 0.09 -0.28 0.79 -1.23 0.00 0.00 177.57 177.00 2jri n TRP 87 N -3.68 0.00 -0.27 5.19 7.02 -0.91 -4.92 117.44 119.87 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 0.21 -0.14 0.00 0.00 -2.42 0.00 0.00 31.31 28.95 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 1.36 0.73 3.99 6.99 0.00 0.05 -5.07 105.19 113.24 2jri n GLY 88 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 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 3.17 0.07 0.99 2.01 -0.04 -4.96 118.68 119.92 2jri s LEU 89 Ca 0.00 -0.32 0.06 0.00 0.01 0.00 0.00 54.13 53.87 2jri s LEU 89 Cb 0.00 -2.31 -0.03 0.00 0.01 0.00 0.00 46.19 43.86 2jri s LEU 89 CO 0.00 -1.40 -0.15 -0.70 1.01 0.00 0.00 176.35 175.10 2jri s GLU 90 N -4.85 0.91 -0.21 1.70 2.12 -1.09 -3.44 118.70 113.83 2jri s GLU 90 Ca 0.61 -0.93 -0.04 0.00 0.36 0.00 0.00 54.97 54.97 2jri s GLU 90 Cb -0.08 -0.96 -0.02 0.00 0.26 0.00 0.00 34.13 33.34 2jri s GLU 90 CO 0.40 0.22 -0.02 -1.17 -0.54 0.00 0.00 175.26 174.15 2jri s LEU 91 N -1.59 3.05 -0.15 2.70 2.96 -1.26 -0.09 118.68 124.30 2jri s LEU 91 Ca 0.00 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2jri s LEU 91 Cb -0.09 -1.78 -0.02 0.00 0.50 0.00 0.00 46.19 44.80 2jri s LEU 91 CO 0.02 0.02 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.34 2jri s ILE 92 N 1.27 3.27 -0.93 6.68 -1.09 0.99 -4.93 121.20 126.47 2jri s ILE 92 Ca 0.03 -0.57 -0.21 0.00 -2.23 0.00 0.00 60.65 57.67 2jri s ILE 92 Cb -0.14 -2.40 0.09 0.00 -1.58 0.00 0.00 42.46 38.42 2jri s ILE 92 CO -0.00 0.51 1.24 -0.22 -1.23 0.00 0.00 174.94 175.23 2jri s LEU 93 N 0.49 4.35 0.25 2.97 2.96 -1.26 -0.20 118.68 128.24 2jri s LEU 93 Ca -0.07 -1.67 0.23 0.00 -0.22 0.00 0.00 54.13 52.40 2jri s LEU 93 Cb -0.15 -2.47 0.97 0.00 0.50 0.00 0.00 46.19 45.03 2jri s LEU 93 CO 0.04 -1.29 1.69 0.33 -1.32 0.00 0.00 176.35 175.80 2jri n PHE 94 N 7.62 0.76 0.16 5.38 7.35 0.71 -2.39 117.46 137.04 2jri n PHE 94 Ca 0.24 0.30 0.01 0.00 -0.76 0.00 0.00 57.45 57.24 2jri n PHE 94 Cb 0.49 -0.99 0.24 0.00 0.35 0.00 0.00 39.48 39.57 2jri n PHE 94 CO 0.00 0.00 0.00 -0.97 -0.76 0.00 0.00 176.76 175.03 2jri h ASN 95 N 0.00 0.00 -3.42 -2.13 -1.24 -1.88 -3.32 115.58 103.60 2jri h ASN 95 Ca 0.00 0.00 -0.53 0.00 0.71 0.00 0.00 56.30 56.48 2jri h ASN 95 Cb 0.34 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.38 2jri h ASN 95 CO 0.00 0.52 0.45 -0.44 -1.29 0.00 0.00 177.43 176.67 2jri s SER 96 N -6.73 7.29 0.40 1.15 0.01 -1.01 -4.87 113.70 109.93 2jri s SER 96 Ca -0.01 1.90 0.19 0.00 1.31 0.00 0.00 55.95 59.34 2jri s SER 96 Cb 0.12 -2.58 1.13 0.00 0.21 0.00 0.00 66.02 64.90 2jri s SER 96 CO 0.74 -0.27 1.77 -0.65 0.41 0.00 0.00 173.24 175.23 2jri h PRO 97 N 6.12 0.36 -0.14 12.44 0.11 -1.88 0.25 132.00 149.26 2jri h PRO 97 Ca -0.42 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 2jri h PRO 97 Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 2jri h PRO 97 CO 0.75 0.24 -0.07 1.05 -0.21 0.00 0.00 178.00 179.76 2jri h GLU 98 N 0.37 0.21 -0.01 1.05 9.09 -1.91 -2.56 114.58 120.83 2jri h GLU 98 Ca 0.60 -0.04 0.00 0.00 0.05 0.00 0.00 59.36 59.97 2jri h GLU 98 Cb 1.57 -0.04 0.00 0.00 -1.65 0.00 0.00 28.75 28.63 2jri h GLU 98 CO -0.29 0.30 -0.53 0.66 0.05 0.00 0.00 179.01 179.20 2jri n TYR 99 N -4.34 0.00 1.67 2.06 4.01 0.19 -4.25 117.16 116.49 2jri n TYR 99 Ca -0.01 0.00 0.15 0.00 -0.16 0.00 0.00 57.90 57.88 2jri n TYR 99 Cb 0.22 0.00 0.82 0.00 -0.31 0.00 0.00 39.34 40.07 2jri n TYR 99 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 2jri n GLN 100 N -0.70 0.73 -2.35 -0.72 7.27 0.63 -3.56 117.38 118.69 2jri n GLN 100 Ca 0.05 0.01 -0.29 0.00 0.07 0.00 0.00 57.00 56.83 2jri n GLN 100 Cb 0.30 -1.50 0.01 0.00 2.41 0.00 0.00 30.24 31.46 2jri n GLN 100 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02 2jri n ARG 101 N -1.11 3.31 0.06 3.69 1.85 -1.22 -4.67 116.66 118.56 2jri n ARG 101 Ca 0.19 -4.31 0.12 0.00 -1.00 0.00 0.00 57.85 52.85 2jri n ARG 101 Cb 0.15 -2.26 0.07 0.00 -1.05 0.00 0.00 32.46 29.38 2jri n ARG 101 CO 0.00 0.00 0.00 1.47 -0.01 0.00 0.00 177.63 179.09 2jri n LEU 102 N -0.50 0.68 -3.52 2.89 -0.00 -1.23 -4.98 117.00 110.33 2jri n LEU 102 Ca 0.42 0.16 -0.19 0.00 -0.00 0.00 0.00 56.01 56.40 2jri n LEU 102 Cb 0.59 -0.12 0.07 0.00 -0.00 0.00 0.00 43.42 43.96 2jri n LEU 102 CO 0.37 -0.05 0.07 0.54 -0.00 0.00 0.00 177.39 178.32 2jri n ARG 103 N -2.19 -6.20 -4.64 1.47 3.00 -1.26 -5.02 116.66 101.81 2jri n ARG 103 Ca 0.02 0.78 -0.29 0.00 -0.01 0.00 0.00 57.85 58.35 2jri n ARG 103 Cb 0.47 -5.67 -0.08 0.00 0.00 0.00 0.00 32.46 27.17 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 -3.44 1.08 -0.18 0.55 1.01 -1.26 -5.14 121.20 113.82 2jri s ILE 104 Ca 0.04 -2.00 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 2jri s ILE 104 Cb -0.02 -2.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 2jri s ILE 104 CO 0.75 0.00 -0.04 -0.62 0.00 0.00 0.00 174.94 175.03 2jri s ASP 105 N -3.74 4.57 0.57 3.58 2.15 -1.26 -4.99 116.67 117.55 2jri s ASP 105 Ca 0.18 -0.24 0.28 0.00 0.43 0.00 0.00 52.55 53.20 2jri s ASP 105 Cb 0.04 -1.76 1.71 0.00 -0.30 0.00 0.00 42.92 42.61 2jri s ASP 105 CO 0.10 0.09 2.21 1.55 -0.17 0.00 0.00 175.17 178.96 2jri h PRO 106 N 7.25 0.00 0.00 4.34 0.13 -1.99 -1.18 132.00 140.55 2jri h PRO 106 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2jri h PRO 106 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2jri h PRO 106 CO 0.60 0.02 0.00 0.82 -0.23 0.00 0.00 178.00 179.22 2jri h ILE 107 N 0.00 0.00 -0.29 -3.56 2.04 -1.94 -2.81 117.51 110.94 2jri h ILE 107 Ca -0.00 -0.74 0.00 0.00 1.00 0.00 0.00 64.86 65.12 2jri h ILE 107 Cb 0.06 1.73 0.00 0.00 -0.74 0.00 0.00 36.82 37.87 2jri h ILE 107 CO 0.00 0.00 0.00 -3.20 0.00 0.00 0.00 178.15 174.95 2jri n ASN 108 N -2.99 2.16 -2.12 1.72 5.15 -0.45 -4.90 115.26 113.83 2jri n ASN 108 Ca 0.03 -1.85 0.00 0.00 -0.60 0.00 0.00 54.58 52.15 2jri n ASN 108 Cb 0.42 -0.19 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 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 0.65 0.37 0.00 1.20 -0.58 -1.06 -5.02 120.64 116.20 2jri n GLU 109 Ca 0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.90 2jri n GLU 109 Cb 0.38 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.25 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 -0.79 0.00 -3.55 3.49 0.00 -1.26 -4.94 116.66 109.60 2jri n ARG 110 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.85 57.84 2jri n ARG 110 Cb 0.00 -0.69 -0.06 0.00 -0.00 0.00 0.00 32.46 31.71 2jri n ARG 110 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2jri s SER 111 N -4.29 -0.51 0.00 2.89 1.04 -1.26 -2.25 113.70 109.32 2jri s SER 111 Ca 0.00 0.76 0.00 0.00 0.48 0.00 0.00 55.95 57.19 2jri s SER 111 Cb 0.00 1.36 -0.00 0.00 0.10 0.00 0.00 66.02 67.48 2jri s SER 111 CO 0.00 -0.12 -0.01 0.72 0.98 0.00 0.00 173.24 174.82 2jri s PHE 112 N 1.73 0.07 -0.11 5.02 -0.71 -0.69 -1.02 117.98 122.27 2jri s PHE 112 Ca -0.07 -0.12 0.02 0.00 -1.04 0.00 0.00 56.93 55.73 2jri s PHE 112 Cb -0.04 -0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.71 2jri s PHE 112 CO -0.16 -0.04 -0.20 0.42 -1.34 0.00 0.00 175.22 173.91 2jri s ILE 113 N -0.33 2.46 -0.13 -4.49 1.01 0.31 -1.55 121.20 118.48 2jri s ILE 113 Ca -0.03 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.76 2jri s ILE 113 Cb -0.02 -1.98 0.00 0.00 0.01 0.00 0.00 42.46 40.47 2jri s ILE 113 CO -0.00 0.55 -0.20 0.00 0.00 0.00 0.00 174.94 175.28 2jri s ASN 115 N 0.57 5.50 -0.45 0.00 2.20 -1.09 0.84 114.94 122.52 2jri s ASN 115 Ca -0.12 -0.10 0.05 0.00 -0.94 0.00 0.00 52.86 51.75 2jri s ASN 115 Cb -0.16 -1.44 0.41 0.00 -2.00 0.00 0.00 41.25 38.06 2jri s ASN 115 CO 0.04 0.10 1.10 0.00 -2.94 0.00 0.00 177.10 175.39 2jri n TYR 116 N -0.13 3.44 0.00 1.54 9.36 0.40 -1.31 117.16 130.45 2jri n TYR 116 Ca -0.08 -3.18 0.00 0.00 3.32 0.00 0.00 57.90 57.96 2jri n TYR 116 Cb 0.54 -0.11 0.00 0.00 -0.63 0.00 0.00 39.34 39.14 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 -0.46 0.00 0.12 2.98 3.00 -1.26 -4.27 118.16 118.27 2jri n LYS 117 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 2jri n LYS 117 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.65 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 0.00 -2.87 1.64 0.00 -1.26 -5.09 120.64 113.06 2jri n GLU 118 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 57.16 56.78 2jri n GLU 118 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 31.44 31.27 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 -1.95 3.79 -0.02 4.31 3.76 -1.26 -5.06 115.29 118.85 2jri s HIS 119 Ca 0.00 1.71 0.04 0.00 -0.15 0.00 0.00 55.06 56.66 2jri s HIS 119 Cb 0.00 -2.85 -0.03 0.00 1.11 0.00 0.00 32.58 30.81 2jri s HIS 119 CO 0.00 0.35 -0.13 -1.58 -0.85 0.00 0.00 174.74 172.52 2jri s TRP 120 N -1.41 2.72 -0.57 1.40 0.52 -1.26 -0.46 118.94 119.88 2jri s TRP 120 Ca 0.44 -0.15 -0.12 0.00 0.02 0.00 0.00 56.10 56.30 2jri s TRP 120 Cb -0.21 -1.60 0.14 0.00 -1.15 0.00 0.00 33.47 30.66 2jri s TRP 120 CO 0.26 0.24 0.48 -0.06 0.02 0.00 0.00 176.95 177.89 2jri s PHE 121 N -0.82 3.43 -0.64 -1.98 0.40 0.25 -4.79 117.98 113.81 2jri s PHE 121 Ca 0.13 -1.77 -0.27 0.00 -0.60 0.00 0.00 56.93 54.42 2jri s PHE 121 Cb -0.11 -3.63 0.02 0.00 0.51 0.00 0.00 43.02 39.81 2jri s PHE 121 CO 0.03 -0.99 1.40 0.99 0.70 0.00 0.00 175.22 177.34 2jri s THR 122 N 1.12 3.72 -0.52 0.64 2.01 -1.26 -1.95 115.64 119.40 2jri s THR 122 Ca 0.08 0.53 -0.10 0.00 0.31 0.00 0.00 61.69 62.50 2jri s THR 122 Cb -0.24 -4.60 0.13 0.00 0.01 0.00 0.00 72.50 67.80 2jri s THR 122 CO -0.01 -1.44 0.41 -0.69 -0.69 0.00 0.00 174.62 172.21 2jri s VAL 123 N 6.22 4.46 -0.13 3.82 1.01 -0.60 -0.60 120.40 134.58 2jri s VAL 123 Ca 0.46 -1.88 -0.05 0.00 0.00 0.00 0.00 61.98 60.51 2jri s VAL 123 Cb -0.10 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2jri s VAL 123 CO 0.20 -0.82 0.05 -0.60 0.00 0.00 0.00 175.10 173.94 2jri s ARG 124 N 1.20 3.48 0.20 2.72 6.06 -0.77 -1.71 118.95 130.13 2jri s ARG 124 Ca 0.07 -0.33 -0.30 0.00 -2.50 0.00 0.00 55.73 52.68 2jri s ARG 124 Cb -0.25 -3.04 -0.08 0.00 0.06 0.00 0.00 34.95 31.63 2jri s ARG 124 CO -0.01 0.54 1.22 0.21 -2.50 0.00 0.00 175.30 174.76 2jri s LYS 125 N -0.40 4.47 -0.06 5.12 2.36 -0.95 -1.84 119.74 128.43 2jri s LYS 125 Ca 0.09 1.93 -0.01 0.00 -2.55 0.00 0.00 55.97 55.43 2jri s LYS 125 Cb -0.12 -3.22 0.03 0.00 -1.05 0.00 0.00 37.83 33.47 2jri s LYS 125 CO 0.02 -0.11 -0.00 -1.17 1.55 0.00 0.00 175.35 175.64 2jri s LEU 126 N -0.39 0.70 0.00 5.43 2.96 0.64 -4.86 118.68 123.16 2jri s LEU 126 Ca 0.53 -0.07 0.00 0.00 -0.22 0.00 0.00 54.13 54.36 2jri s LEU 126 Cb -0.34 -0.40 0.00 0.00 0.50 0.00 0.00 46.19 45.95 2jri s LEU 126 CO 0.38 -0.17 0.00 0.61 -1.32 0.00 0.00 176.35 175.85 2jri n GLY 127 N 4.93 0.72 0.00 7.98 0.00 -1.17 -0.93 105.19 116.72 2jri n GLY 127 Ca -0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.13 -1.04 1.61 0.00 -1.26 -4.86 118.16 112.73 2jri n LYS 128 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 58.31 58.16 2jri n LYS 128 Cb 0.00 -0.03 0.10 0.00 0.00 0.00 0.00 35.03 35.10 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 -0.34 -0.56 -4.16 1.64 -0.06 -0.11 -5.00 117.38 108.81 2jri n GLN 129 Ca 0.00 -1.09 -0.17 0.00 -2.00 0.00 0.00 57.00 53.74 2jri n GLN 129 Cb 0.00 -0.66 -0.12 0.00 -4.06 0.00 0.00 30.24 25.40 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 -2.37 1.14 -0.02 3.69 0.52 -0.96 -0.26 118.94 120.67 2jri s TRP 130 Ca 0.38 -0.47 -0.01 0.00 0.02 0.00 0.00 56.10 56.02 2jri s TRP 130 Cb -0.01 -0.64 0.02 0.00 -1.15 0.00 0.00 33.47 31.68 2jri s TRP 130 CO 0.26 0.04 0.05 -0.06 0.02 0.00 0.00 176.95 177.26 2jri s PHE 131 N -1.34 -0.03 -0.09 -1.98 0.08 -0.77 -1.63 117.98 112.23 2jri s PHE 131 Ca -0.03 0.15 -0.17 0.00 0.12 0.00 0.00 56.93 57.00 2jri s PHE 131 Cb -0.10 -0.07 -0.05 0.00 -0.57 0.00 0.00 43.02 42.23 2jri s PHE 131 CO 0.02 -0.06 0.45 1.21 -0.10 0.00 0.00 175.22 176.74 2jri s ASN 132 N 0.47 6.71 -0.26 1.36 2.47 -1.24 -1.85 114.94 122.60 2jri s ASN 132 Ca -0.04 0.84 0.01 0.00 0.42 0.00 0.00 52.86 54.10 2jri s ASN 132 Cb -0.05 -2.27 0.07 0.00 -1.45 0.00 0.00 41.25 37.54 2jri s ASN 132 CO -0.02 0.10 -0.04 -0.76 -3.72 0.00 0.00 177.10 172.66 2jri s LEU 133 N 0.15 2.98 0.14 3.21 1.43 0.23 -3.42 118.68 123.41 2jri s LEU 133 Ca 0.25 -1.38 0.01 0.00 -1.03 0.00 0.00 54.13 51.98 2jri s LEU 133 Cb -0.15 -1.28 -0.04 0.00 0.03 0.00 0.00 46.19 44.75 2jri s LEU 133 CO 0.11 -0.26 -0.01 0.21 0.23 0.00 0.00 176.35 176.63 2jri s ASN 134 N 1.30 1.03 0.00 2.29 2.47 -1.26 -4.01 114.94 116.76 2jri s ASN 134 Ca -0.03 -1.13 0.25 0.00 0.42 0.00 0.00 52.86 52.37 2jri s ASN 134 Cb -0.19 0.14 1.43 0.00 -1.45 0.00 0.00 41.25 41.18 2jri s ASN 134 CO -0.08 -0.57 1.93 -1.20 -3.72 0.00 0.00 177.10 173.46 2jri n SER 135 N -0.16 0.13 0.00 -4.21 7.64 -1.26 -4.11 113.62 111.66 2jri n SER 135 Ca -0.08 -1.26 0.00 0.00 1.01 0.00 0.00 58.87 58.54 2jri n SER 135 Cb 0.63 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 2jri n SER 135 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2jri n LEU 136 N -0.79 1.19 -4.65 -3.43 7.94 -1.26 -4.91 117.00 111.09 2jri n LEU 136 Ca 0.19 0.11 -0.45 0.00 -1.11 0.00 0.00 56.01 54.75 2jri n LEU 136 Cb 0.11 -0.18 -0.02 0.00 0.53 0.00 0.00 43.42 43.85 2jri n LEU 136 CO 0.14 -0.18 0.88 0.00 -1.11 0.00 0.00 177.39 177.12 2jri n LEU 137 N -1.35 2.69 -2.01 -1.96 -0.00 -1.26 -4.88 117.00 108.23 2jri n LEU 137 Ca 0.00 1.16 -0.22 0.00 -0.00 0.00 0.00 56.01 56.95 2jri n LEU 137 Cb 0.00 -1.38 0.08 0.00 -0.00 0.00 0.00 43.42 42.13 2jri n LEU 137 CO 0.00 -0.77 1.23 1.07 -0.00 0.00 0.00 177.39 178.92 2jri n THR 138 N 1.36 2.94 0.00 1.47 5.66 -1.26 -4.73 114.28 119.72 2jri n THR 138 Ca 0.11 -1.90 0.00 0.00 -3.05 0.00 0.00 64.05 59.21 2jri n THR 138 Cb 0.31 -1.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.07 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 -0.39 2.06 3.67 1.09 0.00 -1.26 -5.13 105.19 105.23 2jri n GLY 139 Ca 0.44 0.09 -0.48 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.21 2.05 -2.31 1.61 -0.02 -1.26 -4.91 135.00 129.95 2jri n PRO 140 Ca 0.00 0.75 -0.42 0.00 -2.02 0.00 0.00 63.50 61.80 2jri n PRO 140 Cb 0.00 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 30.92 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 2.14 4.31 -0.64 -0.52 2.02 -1.22 -4.85 118.70 119.93 2jri s GLU 141 Ca 0.85 1.85 -0.26 0.00 0.02 0.00 0.00 54.97 57.43 2jri s GLU 141 Cb -0.72 -3.56 -0.02 0.00 0.10 0.00 0.00 34.13 29.93 2jri s GLU 141 CO 0.45 -0.52 1.86 -1.17 0.02 0.00 0.00 175.26 175.89 2jri s LEU 142 N 2.30 3.28 -0.56 1.80 2.96 -1.26 -3.60 118.68 123.60 2jri s LEU 142 Ca 0.61 0.23 -0.15 0.00 -0.22 0.00 0.00 54.13 54.59 2jri s LEU 142 Cb -0.29 -2.53 0.14 0.00 0.50 0.00 0.00 46.19 44.00 2jri s LEU 142 CO 0.25 -2.40 0.51 -0.63 -1.32 0.00 0.00 176.35 172.75 2jri s ILE 143 N 9.12 5.19 0.93 6.68 1.01 -0.64 -5.05 121.20 138.44 2jri s ILE 143 Ca 0.67 -1.59 -0.14 0.00 0.00 0.00 0.00 60.65 59.60 2jri s ILE 143 Cb -0.12 -4.32 0.15 0.00 0.01 0.00 0.00 42.46 38.19 2jri s ILE 143 CO 0.19 -0.88 1.17 -0.44 0.00 0.00 0.00 174.94 174.98 2jri s SER 144 N 3.45 3.32 0.05 3.58 0.01 -1.26 -2.27 113.70 120.58 2jri s SER 144 Ca 0.04 0.79 -0.32 0.00 1.31 0.00 0.00 55.95 57.77 2jri s SER 144 Cb -0.28 -1.24 -0.18 0.00 0.21 0.00 0.00 66.02 64.53 2jri s SER 144 CO 0.02 -2.65 1.49 0.44 0.41 0.00 0.00 173.24 172.95 2jri h ASP 145 N -1.57 -1.02 -0.43 2.44 5.19 -1.97 0.23 116.42 119.30 2jri h ASP 145 Ca -0.48 0.04 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 2jri h ASP 145 Cb 1.31 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 41.07 2jri h ASP 145 CO 0.56 -0.70 0.21 0.74 -3.12 0.00 0.00 179.24 176.93 2jri h THR 146 N -1.14 1.17 -0.48 0.35 2.02 -2.01 -2.44 112.91 110.38 2jri h THR 146 Ca -0.11 -0.49 -0.08 0.00 0.77 0.00 0.00 66.41 66.50 2jri h THR 146 Cb 0.88 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2jri h THR 146 CO 0.17 0.20 -0.01 0.22 0.37 0.00 0.00 175.52 176.46 2jri h TYR 147 N 0.66 0.93 -0.88 3.16 3.20 -1.90 -3.01 116.97 119.13 2jri h TYR 147 Ca 0.16 -0.17 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 2jri h TYR 147 Cb 0.10 -0.24 -0.04 0.00 1.54 0.00 0.00 36.73 38.08 2jri h TYR 147 CO 0.01 0.89 0.52 1.25 -1.64 0.00 0.00 178.16 179.19 2jri h LEU 148 N 0.71 1.06 -1.16 2.82 5.85 -0.07 0.37 115.31 124.89 2jri h LEU 148 Ca 0.13 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.83 2jri h LEU 148 Cb 0.52 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 2jri h LEU 148 CO 0.03 0.82 0.58 0.00 -0.34 0.00 0.00 178.44 179.53 2jri h ALA 149 N 1.28 1.48 0.09 1.25 0.00 -1.35 -0.40 119.26 121.62 2jri h ALA 149 Ca 0.31 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.89 2jri h ALA 149 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2jri h ALA 149 CO -0.06 0.41 -1.54 1.25 0.00 0.00 0.00 179.25 179.31 2jri h LEU 150 N 1.06 0.31 -0.52 0.00 5.85 -1.37 -3.32 115.31 117.32 2jri h LEU 150 Ca 0.37 -0.46 0.05 0.00 0.84 0.00 0.00 57.88 58.68 2jri h LEU 150 Cb 0.11 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2jri h LEU 150 CO -0.12 1.39 0.25 0.15 -0.34 0.00 0.00 178.44 179.76 2jri h PHE 151 N 0.05 0.45 -0.89 1.25 3.57 0.27 0.51 116.94 122.16 2jri h PHE 151 Ca -0.24 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.32 2jri h PHE 151 Cb 2.00 -0.13 -0.05 0.00 2.79 0.00 0.00 35.95 40.56 2jri h PHE 151 CO 0.05 0.21 0.57 -0.07 -2.23 0.00 0.00 178.31 176.84 2jri h LEU 152 N 0.48 0.94 -0.63 0.59 -0.00 -1.22 -1.68 115.31 113.79 2jri h LEU 152 Ca 0.24 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.99 2jri h LEU 152 Cb 0.17 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.61 2jri h LEU 152 CO -0.18 0.64 -0.21 0.00 -0.00 0.00 0.00 178.44 178.69 2jri h ALA 153 N 1.37 0.82 -0.91 1.53 0.00 -1.40 -2.77 119.26 117.90 2jri h ALA 153 Ca 0.36 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 2jri h ALA 153 Cb 0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2jri h ALA 153 CO -0.12 0.65 0.54 1.96 0.00 0.00 0.00 179.25 182.27 2jri h GLN 154 N 0.74 1.24 -0.66 0.00 1.08 -0.13 -1.26 115.11 116.12 2jri h GLN 154 Ca 0.10 -0.12 -0.05 0.00 -1.45 0.00 0.00 58.65 57.14 2jri h GLN 154 Cb 0.75 -0.26 -0.03 0.00 -0.05 0.00 0.00 27.48 27.89 2jri h GLN 154 CO 0.06 0.87 0.22 -0.07 -0.95 0.00 0.00 178.83 178.96 2jri h LEU 155 N 1.26 0.93 -0.81 1.46 3.38 -1.13 0.90 115.31 121.29 2jri h LEU 155 Ca 0.33 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 58.03 2jri h LEU 155 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 2jri h LEU 155 CO -0.06 0.86 -0.30 1.56 0.09 0.00 0.00 178.44 180.59 2jri h GLN 156 N 0.97 0.55 0.04 1.13 4.20 -1.08 0.55 115.11 121.47 2jri h GLN 156 Ca 0.22 -0.23 -0.27 0.00 0.06 0.00 0.00 58.65 58.43 2jri h GLN 156 Cb 0.25 -0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.04 2jri h GLN 156 CO -0.01 0.79 -1.06 1.96 -0.67 0.00 0.00 178.83 179.83 2jri h GLN 157 N 0.47 0.65 -0.20 1.46 4.20 -0.82 -3.29 115.11 117.58 2jri h GLN 157 Ca 0.06 -0.75 -0.12 0.00 0.06 0.00 0.00 58.65 57.90 2jri h GLN 157 Cb 0.76 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.76 2jri h GLN 157 CO 0.06 1.33 -0.38 1.49 -0.67 0.00 0.00 178.83 180.66 2jri h GLU 158 N 0.31 0.44 0.00 1.46 4.57 -0.78 -3.47 114.58 117.11 2jri h GLU 158 Ca -0.14 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.82 2jri h GLU 158 Cb 1.73 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.32 2jri h GLU 158 CO 0.21 0.76 0.00 0.41 -1.18 0.00 0.00 179.01 179.21 2jri n GLY 159 N -0.13 0.91 0.00 1.92 0.00 -0.65 -5.09 105.19 102.15 2jri n GLY 159 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -1.60 -3.30 1.61 4.02 0.09 -4.75 117.16 113.23 2jri n TYR 160 Ca 0.00 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.70 2jri n TYR 160 Cb 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 39.34 39.25 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 1.04 -0.44 7.72 0.01 -0.42 -4.90 113.70 115.71 2jri s SER 161 Ca 0.00 -2.01 -0.28 0.00 1.31 0.00 0.00 55.95 54.97 2jri s SER 161 Cb 0.00 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.64 2jri s SER 161 CO 0.00 -0.21 1.68 -0.63 0.41 0.00 0.00 173.24 174.49 2jri s ILE 162 N 0.99 3.58 -0.45 1.44 1.01 -1.26 -2.66 121.20 123.85 2jri s ILE 162 Ca 0.22 0.54 -0.09 0.00 0.00 0.00 0.00 60.65 61.32 2jri s ILE 162 Cb -0.10 -3.93 0.10 0.00 0.01 0.00 0.00 42.46 38.54 2jri s ILE 162 CO -0.06 -0.70 0.32 -0.36 0.00 0.00 0.00 174.94 174.14 2jri s PHE 163 N 6.97 3.39 -0.13 3.97 0.08 0.81 -0.21 117.98 132.86 2jri s PHE 163 Ca 0.69 -1.72 -0.13 0.00 0.12 0.00 0.00 56.93 55.89 2jri s PHE 163 Cb -0.17 -3.31 -0.05 0.00 -0.57 0.00 0.00 43.02 38.93 2jri s PHE 163 CO 0.29 -0.94 0.30 0.54 -0.10 0.00 0.00 175.22 175.31 2jri s VAL 164 N 1.39 5.28 -0.09 -0.44 0.11 0.72 -0.53 120.40 126.85 2jri s VAL 164 Ca 0.05 0.57 -0.23 0.00 -2.93 0.00 0.00 61.98 59.44 2jri s VAL 164 Cb -0.25 -3.63 -0.04 0.00 -1.53 0.00 0.00 36.38 30.94 2jri s VAL 164 CO 0.00 0.43 0.67 -0.69 -3.33 0.00 0.00 175.10 172.19 2jri s VAL 165 N 0.12 5.06 -0.10 2.04 1.01 -0.19 -0.00 120.40 128.34 2jri s VAL 165 Ca 0.18 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 63.48 2jri s VAL 165 Cb -0.13 -4.00 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2jri s VAL 165 CO 0.05 0.24 0.04 -0.54 0.00 0.00 0.00 175.10 174.89 2jri s LYS 166 N 0.93 3.14 0.00 2.72 -0.14 0.87 -4.45 119.74 122.81 2jri s LYS 166 Ca 0.35 -0.34 0.00 0.00 -1.36 0.00 0.00 55.97 54.62 2jri s LYS 166 Cb -0.17 -2.90 0.00 0.00 -1.68 0.00 0.00 37.83 33.08 2jri s LYS 166 CO 0.16 0.70 0.00 0.41 -0.76 0.00 0.00 175.35 175.86 2jri n GLY 167 N 2.18 0.34 3.63 -3.33 0.00 -1.26 -2.69 105.19 104.06 2jri n GLY 167 Ca -0.19 -2.29 -0.35 0.00 0.00 0.00 0.00 46.02 43.19 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 -4.00 5.75 0.16 1.61 1.01 -1.26 -4.92 116.67 115.01 2jri s ASP 168 Ca 0.00 0.08 0.10 0.00 0.71 0.00 0.00 52.55 53.44 2jri s ASP 168 Cb 0.00 -2.00 -0.04 0.00 1.01 0.00 0.00 42.92 41.88 2jri s ASP 168 CO 0.00 0.13 -0.19 -0.76 0.21 0.00 0.00 175.17 174.56 2jri s LEU 169 N 0.64 2.62 0.27 1.23 1.02 -1.26 -4.97 118.68 118.23 2jri s LEU 169 Ca 0.05 -0.69 -0.30 0.00 0.02 0.00 0.00 54.13 53.21 2jri s LEU 169 Cb -0.13 -1.40 -0.11 0.00 0.02 0.00 0.00 46.19 44.57 2jri s LEU 169 CO 0.01 0.14 1.56 -2.84 0.02 0.00 0.00 176.35 175.25 2jri s PRO 170 N -2.45 4.16 0.46 1.29 0.02 -1.26 -5.02 135.00 132.20 2jri s PRO 170 Ca 0.20 2.51 0.08 0.00 0.02 0.00 0.00 61.00 63.81 2jri s PRO 170 Cb -0.09 -3.05 0.03 0.00 0.02 0.00 0.00 34.50 31.40 2jri s PRO 170 CO 0.11 -0.59 0.58 0.16 -0.33 0.00 0.00 177.00 176.93 2jri s ASP 171 N 0.52 5.36 0.25 2.53 -4.77 -1.26 -4.81 116.67 114.48 2jri s ASP 171 Ca 0.63 -0.63 0.06 0.00 -3.30 0.00 0.00 52.55 49.31 2jri s ASP 171 Cb -0.46 -0.35 -0.02 0.00 -1.09 0.00 0.00 42.92 41.00 2jri s ASP 171 CO 0.46 -0.91 0.22 0.00 0.70 0.00 0.00 175.17 175.64 2jri h GLU 173 N 0.00 0.76 0.00 0.00 4.57 -1.95 -0.72 114.58 117.24 2jri h GLU 173 Ca -0.18 -0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 57.95 2jri h GLU 173 Cb 0.91 -0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2jri h GLU 173 CO 0.26 0.50 -0.01 0.00 -1.18 0.00 0.00 179.01 178.59 2jri h ALA 174 N 1.59 1.04 0.00 2.92 0.00 -1.96 0.14 119.26 122.98 2jri h ALA 174 Ca 0.35 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2jri h ALA 174 Cb 0.36 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2jri h ALA 174 CO -0.13 0.01 -1.30 0.22 0.00 0.00 0.00 179.25 178.04 2jri h ASP 175 N 0.00 0.00 0.79 0.00 3.58 -1.46 -3.07 116.42 116.26 2jri h ASP 175 Ca -0.00 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.28 2jri h ASP 175 Cb 0.12 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2jri h ASP 175 CO 0.00 0.44 -1.32 1.56 -2.88 0.00 0.00 179.24 177.04 2jri h GLN 176 N 0.00 0.00 0.00 0.28 4.20 -0.87 -3.11 115.11 115.61 2jri h GLN 176 Ca -0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2jri h GLN 176 Cb 1.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.22 2jri h GLN 176 CO 0.04 0.35 -1.27 1.47 -0.67 0.00 0.00 178.83 178.75 2jri n LEU 177 N -2.96 0.61 -1.66 1.46 -0.00 0.30 -4.35 117.00 110.41 2jri n LEU 177 Ca -0.09 -0.22 -0.12 0.00 -0.00 0.00 0.00 56.01 55.58 2jri n LEU 177 Cb 0.85 -0.03 0.05 0.00 -0.00 0.00 0.00 43.42 44.29 2jri n LEU 177 CO 0.43 0.12 0.99 -0.11 -0.00 0.00 0.00 177.39 178.83 2jri n LEU 178 N -1.83 5.36 -0.08 1.47 -0.00 -1.16 -4.03 117.00 116.73 2jri n LEU 178 Ca 0.01 -2.74 -0.13 0.00 -0.00 0.00 0.00 56.01 53.15 2jri n LEU 178 Cb 0.42 -0.84 -0.14 0.00 -0.00 0.00 0.00 43.42 42.86 2jri n LEU 178 CO 0.43 0.94 -1.03 0.00 -0.00 0.00 0.00 177.39 177.73 2jri n GLN 179 N 0.15 0.68 -0.25 1.96 1.13 -1.26 -3.94 117.38 115.85 2jri n GLN 179 Ca 0.25 0.13 0.08 0.00 -1.94 0.00 0.00 57.00 55.52 2jri n GLN 179 Cb 0.79 -1.60 0.18 0.00 0.11 0.00 0.00 30.24 29.72 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 -3.04 2.46 -3.01 -1.09 0.00 -1.26 -4.98 117.12 106.21 2jri n MET 180 Ca -0.33 -2.50 -0.41 0.00 0.00 0.00 0.00 57.70 54.46 2jri n MET 180 Cb 1.08 -1.57 -0.05 0.00 0.00 0.00 0.00 33.22 32.68 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 -2.36 4.94 0.00 3.17 -1.09 -1.26 -5.20 121.20 119.39 2jri s ILE 181 Ca 0.32 1.37 0.00 0.00 -2.23 0.00 0.00 60.65 60.11 2jri s ILE 181 Cb 0.25 -4.03 0.00 0.00 -1.58 0.00 0.00 42.46 37.10 2jri s ILE 181 CO 0.07 0.03 0.00 -1.14 -1.23 0.00 0.00 174.94 172.67