#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 3.70 -1.93 2.12 4.71 -1.26 -4.97 120.64 123.01 2jri n GLU 2 Ca 0.00 0.00 -0.43 0.00 -0.01 0.00 0.00 57.16 56.72 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 5.93 0.05 1.62 0.01 -1.26 -4.98 113.70 114.08 2jri s SER 3 Ca 0.00 1.53 0.07 0.00 1.31 0.00 0.00 55.95 58.86 2jri s SER 3 Cb 0.00 -2.52 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2jri s SER 3 CO 0.00 -1.64 -0.20 -0.63 0.41 0.00 0.00 173.24 171.18 2jri s ILE 4 N 6.71 1.58 -1.30 1.44 1.01 -1.26 -3.53 121.20 125.86 2jri s ILE 4 Ca 0.82 -1.23 -0.16 0.00 0.00 0.00 0.00 60.65 60.08 2jri s ILE 4 Cb -0.26 -1.39 0.00 0.00 0.01 0.00 0.00 42.46 40.82 2jri s ILE 4 CO 0.34 0.12 2.10 0.49 0.00 0.00 0.00 174.94 177.99 2jri n PHE 5 N 1.72 3.32 -2.97 3.97 3.01 -1.26 -4.80 117.46 120.46 2jri n PHE 5 Ca -0.18 -2.68 -0.43 0.00 1.01 0.00 0.00 57.45 55.17 2jri n PHE 5 Cb 0.54 -2.40 0.01 0.00 -0.01 0.00 0.00 39.48 37.61 2jri n PHE 5 CO 0.00 0.00 0.00 1.58 1.01 0.00 0.00 176.76 179.35 2jri n HIS 6 N 6.92 2.28 -1.97 1.38 -0.00 -1.26 -4.57 115.22 117.99 2jri n HIS 6 Ca 0.51 -2.58 -0.42 0.00 0.46 0.00 0.00 57.72 55.68 2jri n HIS 6 Cb 0.40 -1.29 -0.03 0.00 -0.12 0.00 0.00 29.99 28.96 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 -2.65 4.22 -0.07 1.57 0.41 -1.26 -5.00 118.70 115.91 2jri s GLU 7 Ca 0.31 2.29 0.04 0.00 -0.41 0.00 0.00 54.97 57.20 2jri s GLU 7 Cb 0.05 -3.46 -0.02 0.00 -1.78 0.00 0.00 34.13 28.93 2jri s GLU 7 CO 0.10 -0.66 -0.19 0.21 -0.49 0.00 0.00 175.26 174.23 2jri s LYS 8 N 2.12 2.71 0.09 1.61 2.47 -1.26 -4.94 119.74 122.54 2jri s LYS 8 Ca 0.71 -0.80 -0.09 0.00 -1.56 0.00 0.00 55.97 54.23 2jri s LYS 8 Cb -0.40 -2.32 0.00 0.00 -1.46 0.00 0.00 37.83 33.65 2jri s LYS 8 CO 0.31 0.42 0.21 1.14 0.16 0.00 0.00 175.35 177.59 2jri s GLN 9 N -0.23 0.86 -0.11 4.03 0.00 -1.26 -5.17 119.66 117.78 2jri s GLN 9 Ca -0.00 -0.92 -0.08 0.00 -0.00 0.00 0.00 55.36 54.35 2jri s GLN 9 Cb -0.13 0.35 0.04 0.00 0.00 0.00 0.00 33.01 33.27 2jri s GLN 9 CO 0.03 -0.28 0.28 -1.21 0.00 0.00 0.00 175.29 174.11 2jri s GLU 10 N -3.81 0.29 0.00 9.60 2.02 -1.26 -4.99 118.70 120.55 2jri s GLU 10 Ca 0.04 0.48 0.00 0.00 0.02 0.00 0.00 54.97 55.52 2jri s GLU 10 Cb 0.04 0.04 0.00 0.00 0.10 0.00 0.00 34.13 34.31 2jri s GLU 10 CO -0.11 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.48 2jri n GLY 11 N 3.55 0.68 7.00 -1.39 0.00 -1.26 -5.02 105.19 108.75 2jri n GLY 11 Ca -0.19 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.07 -5.22 -2.65 1.61 7.64 -1.26 -4.89 113.62 108.78 2jri n SER 12 Ca 0.00 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.70 2jri n SER 12 Cb 0.03 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.76 0.09 -3.43 7.99 -0.91 -4.83 117.00 114.15 2jri n LEU 13 Ca 0.00 -0.04 0.10 0.00 -0.01 0.00 0.00 56.01 56.06 2jri n LEU 13 Cb 0.00 -2.57 0.43 0.00 -0.11 0.00 0.00 43.42 41.17 2jri n LEU 13 CO 0.00 -0.05 0.81 0.00 -1.51 0.00 0.00 177.39 176.63 2jri h ALA 15 N 2.32 1.27 -0.11 0.00 0.00 -1.95 -2.90 119.26 117.89 2jri h ALA 15 Ca 0.00 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.46 2jri h ALA 15 Cb 0.31 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2jri h ALA 15 CO 0.00 0.53 0.10 0.94 0.00 0.00 0.00 179.25 180.82 2jri n GLN 16 N -4.05 1.19 0.12 0.00 0.00 -0.92 -3.45 117.38 110.27 2jri n GLN 16 Ca -0.02 -0.37 0.00 0.00 -0.00 0.00 0.00 57.00 56.61 2jri n GLN 16 Cb 0.44 -1.14 0.00 0.00 0.00 0.00 0.00 30.24 29.54 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 1.21 -2.11 0.10 3.69 -0.00 -1.10 -4.69 115.22 112.33 2jri n HIS 17 Ca 0.07 0.37 -0.12 0.00 0.46 0.00 0.00 57.72 58.50 2jri n HIS 17 Cb 0.52 0.57 -0.06 0.00 -0.12 0.00 0.00 29.99 30.90 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 -0.36 0.76 -0.21 0.00 6.46 -1.88 -0.09 115.31 119.98 2jri h LEU 19 Ca 0.02 -0.33 -0.01 0.00 -0.12 0.00 0.00 57.88 57.45 2jri h LEU 19 Cb 0.38 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.09 2jri h LEU 19 CO -0.10 0.91 0.11 -1.13 -0.62 0.00 0.00 178.44 177.60 2jri h ASN 20 N 0.60 0.28 0.58 1.25 -0.73 -1.74 0.25 115.58 116.06 2jri h ASN 20 Ca 0.11 -0.12 -0.08 0.00 1.87 0.00 0.00 56.30 58.09 2jri h ASN 20 Cb 0.54 -0.07 -0.01 0.00 0.27 0.00 0.00 38.32 39.05 2jri h ASN 20 CO 0.03 0.32 -0.36 0.78 -0.37 0.00 0.00 177.43 177.82 2jri h ASN 21 N 0.22 0.00 0.02 1.15 -0.26 -0.30 0.43 115.58 116.84 2jri h ASN 21 Ca 0.07 0.00 -0.00 0.00 -0.56 0.00 0.00 56.30 55.81 2jri h ASN 21 Cb 0.11 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.37 2jri h ASN 21 CO -0.01 0.36 -0.01 0.25 -1.06 0.00 0.00 177.43 176.96 2jri h LEU 22 N 0.00 -0.02 -0.87 1.61 7.12 -0.52 -3.24 115.31 119.38 2jri h LEU 22 Ca -0.00 -0.58 -0.09 0.00 0.13 0.00 0.00 57.88 57.34 2jri h LEU 22 Cb 0.75 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.87 2jri h LEU 22 CO 0.05 0.58 -0.42 -0.07 -0.13 0.00 0.00 178.44 178.44 2jri h LEU 23 N -0.64 0.00 -0.58 2.25 3.38 -0.90 -3.48 115.31 115.35 2jri h LEU 23 Ca -0.00 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.69 2jri h LEU 23 Cb 0.60 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.43 2jri h LEU 23 CO 0.00 0.42 -0.45 0.00 0.09 0.00 0.00 178.44 178.50 2jri n GLN 24 N -3.57 -4.97 -3.64 1.13 1.13 0.13 -4.46 117.38 103.14 2jri n GLN 24 Ca -0.00 0.58 -0.06 0.00 -1.94 0.00 0.00 57.00 55.58 2jri n GLN 24 Cb 0.54 -4.82 -0.06 0.00 0.11 0.00 0.00 30.24 26.00 2jri n GLN 24 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 2jri s GLY 25 N -3.12 0.08 -1.36 1.08 0.00 -1.21 -4.40 107.32 98.39 2jri s GLY 25 Ca 0.36 2.98 -0.16 0.00 0.00 0.00 0.00 44.72 47.90 2jri s GLY 25 CO 0.44 1.70 1.93 1.18 0.00 0.00 0.00 173.10 178.35 2jri n GLU 26 N 1.57 3.07 -0.07 2.90 1.02 -1.26 -4.42 120.64 123.45 2jri n GLU 26 Ca -0.10 -3.03 -0.10 0.00 -0.02 0.00 0.00 57.16 53.92 2jri n GLU 26 Cb 0.57 -3.38 -0.07 0.00 -0.02 0.00 0.00 31.44 28.54 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 7.23 0.00 -2.88 -0.32 4.01 -1.26 -4.99 117.16 118.95 2jri n TYR 27 Ca 0.50 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.84 2jri n TYR 27 Cb 0.43 -0.57 -0.05 0.00 -0.31 0.00 0.00 39.34 38.84 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 -2.29 3.87 0.21 -0.72 5.36 -1.26 -5.07 117.98 118.07 2jri s PHE 28 Ca -0.19 1.69 -0.00 0.00 -0.96 0.00 0.00 56.93 57.46 2jri s PHE 28 Cb 0.05 -2.88 -0.04 0.00 -0.34 0.00 0.00 43.02 39.81 2jri s PHE 28 CO 0.35 0.39 0.40 -1.12 -1.46 0.00 0.00 175.22 173.77 2jri s SER 29 N -0.68 6.38 0.27 6.13 0.01 -1.26 -5.02 113.70 119.53 2jri s SER 29 Ca 0.40 0.39 -0.01 0.00 1.31 0.00 0.00 55.95 58.04 2jri s SER 29 Cb -0.23 -2.01 0.47 0.00 0.21 0.00 0.00 66.02 64.47 2jri s SER 29 CO 0.27 -0.05 1.86 -0.65 0.41 0.00 0.00 173.24 175.08 2jri h PRO 30 N 1.93 1.04 -0.16 12.44 0.11 -2.01 -2.02 132.00 143.33 2jri h PRO 30 Ca -0.48 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 2jri h PRO 30 Cb 1.19 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2jri h PRO 30 CO 0.67 0.69 -0.15 -0.24 -0.21 0.00 0.00 178.00 178.76 2jri h VAL 31 N 1.07 1.19 -0.10 3.15 3.04 -2.02 -2.62 116.25 119.96 2jri h VAL 31 Ca 0.46 -0.85 -0.02 0.00 -1.01 0.00 0.00 66.70 65.28 2jri h VAL 31 Cb 0.33 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 30.83 2jri h VAL 31 CO -0.22 0.27 -0.03 -0.33 -1.01 0.00 0.00 177.57 176.25 2jri h GLU 32 N 0.25 0.14 -0.03 4.17 5.08 -1.77 -0.96 114.58 121.46 2jri h GLU 32 Ca 0.05 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2jri h GLU 32 Cb 0.41 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2jri h GLU 32 CO 0.02 0.19 0.00 -0.07 -1.00 0.00 0.00 179.01 178.15 2jri h LEU 33 N 0.14 0.04 0.07 1.33 3.38 -1.50 0.27 115.31 119.04 2jri h LEU 33 Ca 0.03 -0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.72 2jri h LEU 33 Cb 0.15 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2jri h LEU 33 CO 0.01 0.05 -1.48 0.28 0.09 0.00 0.00 178.44 177.38 2jri h SER 34 N 0.04 0.24 -0.34 -0.43 0.02 -1.32 -3.25 113.55 108.50 2jri h SER 34 Ca 0.01 -0.34 -0.07 0.00 -0.84 0.00 0.00 61.79 60.55 2jri h SER 34 Cb 0.03 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 2jri h SER 34 CO 0.00 1.29 -0.07 0.28 -1.14 0.00 0.00 176.83 177.19 2jri h SER 35 N 0.04 0.66 0.82 3.07 0.02 -0.74 -2.75 113.55 114.66 2jri h SER 35 Ca -0.21 -0.36 -0.01 0.00 -0.84 0.00 0.00 61.79 60.37 2jri h SER 35 Cb 1.97 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 64.33 2jri h SER 35 CO 0.14 0.86 -0.04 0.16 -1.14 0.00 0.00 176.83 176.81 2jri h ILE 36 N 0.45 0.12 -0.54 3.27 3.07 -1.12 -2.69 117.51 120.06 2jri h ILE 36 Ca 0.09 -0.52 -0.09 0.00 1.55 0.00 0.00 64.86 65.89 2jri h ILE 36 Cb 0.56 1.46 -0.02 0.00 -0.27 0.00 0.00 36.82 38.56 2jri h ILE 36 CO 0.03 0.04 0.00 0.00 -1.05 0.00 0.00 178.15 177.17 2jri h ALA 37 N 1.96 0.73 0.00 0.16 0.00 -1.52 -2.49 119.26 118.10 2jri h ALA 37 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2jri h ALA 37 Cb 0.46 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2jri h ALA 37 CO 0.01 0.55 0.00 1.25 0.00 0.00 0.00 179.25 181.06 2jri h HIS 38 N 0.84 0.00 0.00 0.00 -0.00 -1.46 -2.46 115.15 112.07 2jri h HIS 38 Ca 0.15 0.00 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 2jri h HIS 38 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.93 2jri h HIS 38 CO 0.04 0.00 -0.36 0.37 -0.00 0.00 0.00 177.93 177.98 2jri h GLN 39 N 0.00 0.00 0.00 5.26 5.75 -1.35 -1.41 115.11 123.36 2jri h GLN 39 Ca 0.00 0.00 -0.07 0.00 -0.15 0.00 0.00 58.65 58.43 2jri h GLN 39 Cb 0.67 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.21 2jri h GLN 39 CO 0.00 0.36 -0.32 -0.07 -2.65 0.00 0.00 178.83 176.15 2jri h LEU 40 N 0.00 0.00 -0.68 -2.39 -0.00 -1.36 -3.01 115.31 107.86 2jri h LEU 40 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.85 2jri h LEU 40 Cb 0.65 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.28 2jri h LEU 40 CO 0.05 0.32 0.32 -0.78 -0.00 0.00 0.00 178.44 178.35 2jri h ASP 41 N 0.00 0.90 -0.38 -0.43 1.82 -1.23 0.36 116.42 117.45 2jri h ASP 41 Ca -0.00 -0.14 -0.07 0.00 -0.39 0.00 0.00 57.03 56.43 2jri h ASP 41 Cb 1.01 -0.23 -0.02 0.00 0.68 0.00 0.00 39.33 40.77 2jri h ASP 41 CO 0.04 0.78 0.02 -0.08 -1.61 0.00 0.00 179.24 178.39 2jri h GLU 42 N 0.95 0.76 -0.25 0.28 4.57 -1.44 0.11 114.58 119.56 2jri h GLU 42 Ca 0.23 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.16 2jri h GLU 42 Cb 0.13 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2jri h GLU 42 CO -0.03 0.76 -0.10 1.49 -1.18 0.00 0.00 179.01 179.95 2jri h GLU 43 N 0.71 0.50 -0.50 1.92 4.81 -1.21 -1.46 114.58 119.37 2jri h GLU 43 Ca 0.14 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.12 2jri h GLU 43 Cb 0.42 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.75 2jri h GLU 43 CO 0.02 0.75 0.12 0.93 -0.73 0.00 0.00 179.01 180.10 2jri h GLU 44 N 0.23 0.75 -0.92 1.92 4.39 -0.05 -1.00 114.58 119.91 2jri h GLU 44 Ca 0.06 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2jri h GLU 44 Cb 0.59 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.08 2jri h GLU 44 CO 0.03 0.68 0.53 -0.09 -1.16 0.00 0.00 179.01 179.00 2jri h ARG 45 N 0.73 1.27 -0.39 2.33 2.43 -0.55 -0.01 114.38 120.19 2jri h ARG 45 Ca 0.16 -0.13 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 2jri h ARG 45 Cb 0.26 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2jri h ARG 45 CO -0.00 0.91 0.03 0.52 -1.51 0.00 0.00 179.97 179.91 2jri h MET 46 N 1.28 0.67 -0.62 0.20 2.86 -0.43 -2.58 114.93 116.31 2jri h MET 46 Ca 0.33 -0.20 0.02 0.00 -2.06 0.00 0.00 59.70 57.79 2jri h MET 46 Cb -0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 2jri h MET 46 CO -0.06 0.75 0.41 -0.09 1.06 0.00 0.00 176.91 178.98 2jri h ARG 47 N 0.51 0.75 -0.79 1.72 1.12 -0.61 -1.48 114.38 115.58 2jri h ARG 47 Ca 0.11 -0.04 -0.04 0.00 -1.11 0.00 0.00 59.98 58.90 2jri h ARG 47 Cb 0.42 -0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.18 2jri h ARG 47 CO 0.01 0.49 0.32 1.98 -3.11 0.00 0.00 179.97 179.67 2jri h MET 48 N 0.77 1.18 0.00 0.20 4.05 -0.63 -1.61 114.93 118.88 2jri h MET 48 Ca 0.24 -0.21 -0.04 0.00 -0.28 0.00 0.00 59.70 59.41 2jri h MET 48 Cb 0.02 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 30.62 2jri h MET 48 CO -0.06 0.95 -0.19 0.00 0.23 0.00 0.00 176.91 177.84 2jri h ALA 49 N 1.20 1.09 0.00 0.39 0.00 -0.97 -2.22 119.26 118.75 2jri h ALA 49 Ca 0.27 -0.17 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 2jri h ALA 49 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2jri h ALA 49 CO -0.02 0.23 -0.69 0.93 0.00 0.00 0.00 179.25 179.70 2jri h GLU 50 N 0.00 0.00 0.00 0.00 4.39 -0.79 -3.48 114.58 114.71 2jri h GLU 50 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2jri h GLU 50 Cb 0.61 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2jri h GLU 50 CO 0.02 0.69 0.00 0.41 -1.16 0.00 0.00 179.01 178.97 2jri n GLY 51 N 1.20 1.70 0.00 -3.84 0.00 -0.69 -5.02 105.19 98.54 2jri n GLY 51 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 2jri n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jri n GLY 52 N -0.19 2.33 3.66 -0.02 0.00 -1.24 -4.14 105.19 105.58 2jri n GLY 52 Ca 0.00 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.81 2jri n GLY 52 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jri s VAL 53 N -0.43 3.67 0.09 1.61 0.11 -1.15 -4.83 120.40 119.48 2jri s VAL 53 Ca 0.00 0.81 0.00 0.00 -2.93 0.00 0.00 61.98 59.86 2jri s VAL 53 Cb 0.00 -3.54 0.00 0.00 -1.53 0.00 0.00 36.38 31.31 2jri s VAL 53 CO 0.00 -0.10 0.00 0.41 -3.33 0.00 0.00 175.10 172.08 2jri n THR 54 N 5.60 0.82 0.00 5.04 -1.04 -1.26 -5.03 114.28 118.41 2jri n THR 54 Ca 0.17 0.27 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 2jri n THR 54 Cb 0.43 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2jri n THR 54 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2jri n SER 55 N -3.24 0.00 -1.29 8.00 7.64 -1.26 -4.92 113.62 118.55 2jri n SER 55 Ca 0.00 0.00 0.09 0.00 1.01 0.00 0.00 58.87 59.97 2jri n SER 55 Cb 0.00 0.00 0.30 0.00 -1.01 0.00 0.00 64.21 63.50 2jri n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2jri n GLU 56 N -1.09 3.22 0.32 1.43 1.02 -1.26 -4.39 120.64 119.89 2jri n GLU 56 Ca 0.00 -2.67 0.21 0.00 -0.02 0.00 0.00 57.16 54.68 2jri n GLU 56 Cb 0.00 -1.68 1.05 0.00 -0.02 0.00 0.00 31.44 30.79 2jri n GLU 56 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2jri h ASP 57 N 3.61 0.00 -0.16 1.62 5.19 -1.91 -1.23 116.42 123.54 2jri h ASP 57 Ca 0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2jri h ASP 57 Cb 1.18 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.68 2jri h ASP 57 CO 0.12 0.01 0.06 0.10 -3.12 0.00 0.00 179.24 176.41 2jri h TYR 58 N 0.00 0.30 0.10 4.55 -0.00 -1.94 0.86 116.97 120.84 2jri h TYR 58 Ca -0.00 -0.01 -0.29 0.00 -0.00 0.00 0.00 58.73 58.43 2jri h TYR 58 Cb 0.16 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 36.78 2jri h TYR 58 CO 0.00 0.27 -1.46 -0.09 -0.00 0.00 0.00 178.16 176.87 2jri h ARG 59 N 0.31 0.21 -0.79 0.10 9.65 -1.58 -2.64 114.38 119.64 2jri h ARG 59 Ca 0.08 -0.35 -0.02 0.00 -1.10 0.00 0.00 59.98 58.58 2jri h ARG 59 Cb 0.11 0.13 -0.04 0.00 -1.39 0.00 0.00 29.97 28.78 2jri h ARG 59 CO -0.01 1.07 0.41 1.15 2.80 0.00 0.00 179.97 185.40 2jri h THR 60 N 0.06 1.24 0.00 0.20 2.02 -1.11 0.83 112.91 116.15 2jri h THR 60 Ca -0.21 -0.62 -0.16 0.00 0.77 0.00 0.00 66.41 66.18 2jri h THR 60 Cb 1.99 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.56 2jri h THR 60 CO 0.16 0.27 -0.97 -0.26 0.37 0.00 0.00 175.52 175.09 2jri h PHE 61 N 1.12 0.00 -0.05 3.16 -1.00 -0.96 -2.27 116.94 116.94 2jri h PHE 61 Ca 0.28 0.00 -0.24 0.00 2.81 0.00 0.00 57.97 60.82 2jri h PHE 61 Cb 0.06 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.63 2jri h PHE 61 CO 0.01 0.69 -0.92 1.25 -1.61 0.00 0.00 178.31 177.73 2jri h LEU 62 N 0.00 0.81 -2.81 1.54 5.85 -1.12 -3.02 115.31 116.56 2jri h LEU 62 Ca -0.07 -0.60 0.00 0.00 0.84 0.00 0.00 57.88 58.04 2jri h LEU 62 Cb 1.59 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 42.38 2jri h LEU 62 CO 0.08 1.40 0.00 1.67 -0.34 0.00 0.00 178.44 181.25 2jri n GLN 63 N -3.85 3.67 -1.82 1.25 7.27 0.26 -4.81 117.38 119.35 2jri n GLN 63 Ca -0.09 -2.40 -0.42 0.00 0.07 0.00 0.00 57.00 54.16 2jri n GLN 63 Cb 0.82 -1.95 -0.03 0.00 2.41 0.00 0.00 30.24 31.49 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 -2.11 4.17 0.54 3.69 2.00 -0.85 -4.94 119.66 122.15 2jri s GLN 64 Ca 0.42 2.49 -0.21 0.00 -2.00 0.00 0.00 55.36 56.06 2jri s GLN 64 Cb 0.30 -3.39 -0.07 0.00 0.80 0.00 0.00 33.01 30.65 2jri s GLN 64 CO 0.16 -0.75 0.98 -2.30 -0.50 0.00 0.00 175.29 172.88 2jri n PRO 65 N 4.94 1.09 0.00 1.67 -0.02 -1.26 -1.89 135.00 139.54 2jri n PRO 65 Ca 0.16 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 62.05 2jri n PRO 65 Cb 0.38 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 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 -0.28 0.00 0.05 2.55 7.64 -1.26 -4.72 113.62 117.60 2jri n SER 66 Ca 0.12 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.92 2jri n SER 66 Cb 0.44 0.00 0.08 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 0.36 0.23 0.00 -1.64 -3.20 103.07 99.24 2jri h GLY 67 Ca 0.00 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.80 2jri h GLY 67 CO 0.00 0.46 -0.05 3.43 0.00 0.00 0.00 176.54 180.37 2jri h ASN 68 N 0.28 0.06 0.00 0.19 2.35 -1.85 -3.29 115.58 113.33 2jri h ASN 68 Ca -0.01 -0.69 0.00 0.00 -0.55 0.00 0.00 56.30 55.05 2jri h ASN 68 Cb 1.13 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 39.48 2jri h ASN 68 CO 0.10 0.74 0.00 0.80 -1.65 0.00 0.00 177.43 177.43 2jri n MET 69 N -4.70 0.00 0.00 0.81 0.00 -1.21 -4.39 117.12 107.63 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 0.37 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.59 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 -2.09 0.00 0.00 6.12 2.03 -1.26 -4.12 116.55 117.23 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 -0.03 0.00 0.00 1.67 2.03 -1.26 -4.17 116.55 114.79 2jri n ASP 71 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jri n ASP 71 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 0.00 0.00 -0.73 1.67 7.64 -1.26 -4.97 113.62 115.97 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 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 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 -4.84 105.19 105.64 2jri n GLY 73 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.15 -2.40 -3.69 1.61 3.72 -1.26 -2.15 117.46 113.44 2jri n PHE 74 Ca 0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.34 2jri n PHE 74 Cb 0.41 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.86 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 0.36 -0.61 0.65 1.38 0.08 -1.26 -4.83 117.98 113.75 2jri s PHE 75 Ca 0.00 1.48 -0.06 0.00 0.12 0.00 0.00 56.93 58.48 2jri s PHE 75 Cb 0.00 0.22 0.04 0.00 -0.57 0.00 0.00 43.02 42.71 2jri s PHE 75 CO 0.00 -0.30 0.95 -1.12 -0.10 0.00 0.00 175.22 174.66 2jri s SER 76 N 0.36 5.12 0.59 1.36 0.01 -1.26 -4.96 113.70 114.92 2jri s SER 76 Ca -0.01 0.50 0.39 0.00 1.31 0.00 0.00 55.95 58.14 2jri s SER 76 Cb -0.04 -1.29 1.93 0.00 0.21 0.00 0.00 66.02 66.83 2jri s SER 76 CO -0.00 -1.37 2.16 -0.29 0.41 0.00 0.00 173.24 174.15 2jri h ILE 77 N -0.39 0.00 0.00 1.44 2.10 -1.97 -2.29 117.51 116.40 2jri h ILE 77 Ca -0.45 -0.18 -0.00 0.00 1.08 0.00 0.00 64.86 65.31 2jri h ILE 77 Cb 1.29 1.14 -0.00 0.00 -1.09 0.00 0.00 36.82 38.16 2jri h ILE 77 CO 0.60 0.00 -0.01 1.56 -1.08 0.00 0.00 178.15 179.22 2jri h GLN 78 N 0.00 0.00 -0.28 2.19 7.50 -1.92 -2.05 115.11 120.55 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 0.19 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.72 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 -3.18 0.35 -0.05 -0.54 0.24 -0.86 -3.66 118.33 110.63 2jri n VAL 79 Ca -0.02 -0.32 -0.08 0.00 -2.04 0.00 0.00 64.34 61.88 2jri n VAL 79 Cb 0.12 0.12 -0.04 0.00 -1.47 0.00 0.00 33.84 32.57 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 0.19 0.54 -0.20 1.34 2.08 -0.77 -4.10 119.36 118.43 2jri n ILE 80 Ca 0.08 -0.18 -0.07 0.00 0.56 0.00 0.00 62.75 63.14 2jri n ILE 80 Cb 0.22 -1.09 0.03 0.00 -0.75 0.00 0.00 39.64 38.05 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 -0.12 0.71 1.48 4.38 0.02 -1.68 -2.05 113.55 116.29 2jri h SER 81 Ca -0.22 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.65 2jri h SER 81 Cb 1.29 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.65 2jri h SER 81 CO -0.07 0.59 -0.02 -3.20 -1.14 0.00 0.00 176.83 172.98 2jri n ASN 82 N -4.61 0.84 0.08 3.07 5.15 -1.24 -3.03 115.26 115.53 2jri n ASN 82 Ca 0.04 0.56 0.02 0.00 -0.60 0.00 0.00 54.58 54.60 2jri n ASN 82 Cb 0.07 -0.78 0.38 0.00 -0.53 0.00 0.00 39.78 38.92 2jri n ASN 82 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jri h ALA 83 N 2.50 1.51 0.00 5.20 0.00 -1.52 -1.71 119.26 125.24 2jri h ALA 83 Ca 0.00 -0.18 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 2jri h ALA 83 Cb 0.75 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 2jri h ALA 83 CO 0.00 0.35 -1.63 1.28 0.00 0.00 0.00 179.25 179.26 2jri n LEU 84 N -4.31 0.60 -0.03 0.00 7.99 -1.21 -4.16 117.00 115.88 2jri n LEU 84 Ca 0.00 0.26 -0.04 0.00 -0.01 0.00 0.00 56.01 56.22 2jri n LEU 84 Cb 0.23 0.12 0.18 0.00 -0.11 0.00 0.00 43.42 43.85 2jri n LEU 84 CO 0.38 0.16 0.79 0.50 -1.51 0.00 0.00 177.39 177.70 2jri h LYS 85 N 0.00 0.61 0.00 3.23 3.64 -1.35 0.02 116.57 122.71 2jri h LYS 85 Ca -0.19 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 58.99 2jri h LYS 85 Cb 1.57 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.34 2jri h LYS 85 CO 0.03 0.74 0.00 -0.39 -2.27 0.00 0.00 179.45 177.56 2jri h VAL 86 N 0.55 0.00 0.00 2.00 -1.51 -1.49 -2.15 116.25 113.65 2jri h VAL 86 Ca 0.09 -0.39 0.00 0.00 -1.23 0.00 0.00 66.70 65.17 2jri h VAL 86 Cb 0.59 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 31.14 2jri h VAL 86 CO 0.04 0.00 -1.24 0.79 -1.23 0.00 0.00 177.57 175.93 2jri n TRP 87 N -3.09 0.41 0.00 5.19 7.02 -0.89 -4.96 117.44 121.11 2jri n TRP 87 Ca -0.00 0.12 0.00 0.00 -1.02 0.00 0.00 57.50 56.60 2jri n TRP 87 Cb 0.25 -0.60 0.00 0.00 -2.42 0.00 0.00 31.31 28.54 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 1.29 1.08 4.03 6.99 0.00 -0.81 -5.11 105.19 112.66 2jri n GLY 88 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 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 3.24 0.02 0.99 2.01 -0.06 -4.94 118.68 119.94 2jri s LEU 89 Ca 0.00 -0.75 0.06 0.00 0.01 0.00 0.00 54.13 53.45 2jri s LEU 89 Cb 0.00 -1.88 -0.02 0.00 0.01 0.00 0.00 46.19 44.30 2jri s LEU 89 CO 0.00 -1.19 -0.17 -0.70 1.01 0.00 0.00 176.35 175.30 2jri s GLU 90 N -4.58 1.22 -0.25 1.70 2.12 -0.83 -4.17 118.70 113.91 2jri s GLU 90 Ca 0.60 -0.77 -0.02 0.00 0.36 0.00 0.00 54.97 55.13 2jri s GLU 90 Cb -0.07 -1.25 0.02 0.00 0.26 0.00 0.00 34.13 33.09 2jri s GLU 90 CO 0.37 0.32 -0.05 -1.17 -0.54 0.00 0.00 175.26 174.20 2jri s LEU 91 N -0.92 3.24 -0.16 2.70 2.96 -1.26 0.14 118.68 125.38 2jri s LEU 91 Ca 0.05 -0.84 -0.01 0.00 -0.22 0.00 0.00 54.13 53.11 2jri s LEU 91 Cb -0.08 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 2jri s LEU 91 CO 0.01 -0.13 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.18 2jri s ILE 92 N 1.35 3.16 -1.01 6.68 -1.09 0.67 -4.94 121.20 126.02 2jri s ILE 92 Ca 0.01 -0.60 -0.21 0.00 -2.23 0.00 0.00 60.65 57.61 2jri s ILE 92 Cb -0.17 -2.37 0.08 0.00 -1.58 0.00 0.00 42.46 38.43 2jri s ILE 92 CO -0.04 0.49 1.37 -0.22 -1.23 0.00 0.00 174.94 175.31 2jri s LEU 93 N 0.74 4.04 0.58 2.97 2.96 -1.26 -0.15 118.68 128.55 2jri s LEU 93 Ca -0.04 -1.74 0.34 0.00 -0.22 0.00 0.00 54.13 52.47 2jri s LEU 93 Cb -0.15 -2.51 1.73 0.00 0.50 0.00 0.00 46.19 45.76 2jri s LEU 93 CO 0.02 -1.33 2.14 0.15 -1.32 0.00 0.00 176.35 176.01 2jri h PHE 94 N 9.29 0.00 -0.72 5.38 3.57 -1.24 -2.84 116.94 130.38 2jri h PHE 94 Ca 0.21 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.70 2jri h PHE 94 Cb 1.00 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 2jri h PHE 94 CO 1.25 0.05 0.42 -0.97 -2.23 0.00 0.00 178.31 176.83 2jri h ASN 95 N 0.00 0.87 -3.02 0.41 -1.24 -1.85 -3.19 115.58 107.56 2jri h ASN 95 Ca -0.00 -0.06 -0.53 0.00 0.71 0.00 0.00 56.30 56.42 2jri h ASN 95 Cb 0.28 -0.22 0.01 0.00 0.73 0.00 0.00 38.32 39.12 2jri h ASN 95 CO 0.01 0.69 0.72 -0.44 -1.29 0.00 0.00 177.43 177.11 2jri s SER 96 N -6.40 6.90 0.44 1.15 0.01 -1.07 -4.82 113.70 109.91 2jri s SER 96 Ca -0.11 2.18 0.25 0.00 1.31 0.00 0.00 55.95 59.59 2jri s SER 96 Cb 0.17 -2.58 1.27 0.00 0.21 0.00 0.00 66.02 65.10 2jri s SER 96 CO 0.79 -0.63 1.76 -0.65 0.41 0.00 0.00 173.24 174.93 2jri h PRO 97 N 7.10 0.24 0.00 12.44 0.11 -1.89 0.38 132.00 150.38 2jri h PRO 97 Ca -0.41 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 2jri h PRO 97 Cb 1.20 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 2jri h PRO 97 CO 0.86 0.16 -0.13 1.05 -0.21 0.00 0.00 178.00 179.73 2jri h GLU 98 N 0.24 0.00 0.00 1.05 9.09 -1.92 -2.72 114.58 120.33 2jri h GLU 98 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.02 2jri h GLU 98 Cb 1.86 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.96 2jri h GLU 98 CO -0.23 0.13 -1.36 0.66 0.05 0.00 0.00 179.01 178.27 2jri n TYR 99 N -4.08 0.00 0.58 2.06 4.01 0.71 -4.38 117.16 116.06 2jri n TYR 99 Ca -0.02 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.78 2jri n TYR 99 Cb 0.21 -0.23 0.32 0.00 -0.31 0.00 0.00 39.34 39.33 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 -1.80 0.14 -2.30 -0.72 7.27 1.00 -3.38 117.38 117.59 2jri n GLN 100 Ca -0.01 0.19 -0.38 0.00 0.07 0.00 0.00 57.00 56.87 2jri n GLN 100 Cb 0.32 -1.50 0.02 0.00 2.41 0.00 0.00 30.24 31.49 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 -1.34 3.80 -0.02 3.69 1.85 -1.19 -4.49 116.66 118.96 2jri n ARG 101 Ca 0.05 -4.12 0.06 0.00 -1.00 0.00 0.00 57.85 52.85 2jri n ARG 101 Cb 0.12 -2.34 -0.13 0.00 -1.05 0.00 0.00 32.46 29.06 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 -0.35 0.00 -3.52 2.89 -0.00 -1.22 -5.03 117.00 109.78 2jri n LEU 102 Ca 0.48 0.00 -0.21 0.00 -0.00 0.00 0.00 56.01 56.29 2jri n LEU 102 Cb 0.29 0.04 0.06 0.00 -0.00 0.00 0.00 43.42 43.81 2jri n LEU 102 CO 0.48 0.04 -0.01 0.54 -0.00 0.00 0.00 177.39 178.45 2jri n ARG 103 N -2.13 -3.76 -4.45 1.47 3.00 -1.26 -5.01 116.66 104.53 2jri n ARG 103 Ca -0.06 0.70 -0.26 0.00 -0.01 0.00 0.00 57.85 58.22 2jri n ARG 103 Cb 0.49 -5.28 -0.17 0.00 0.00 0.00 0.00 32.46 27.50 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 -3.50 1.27 -0.02 0.55 1.01 -1.26 -5.10 121.20 114.15 2jri s ILE 104 Ca 0.22 -0.52 -0.33 0.00 0.00 0.00 0.00 60.65 60.02 2jri s ILE 104 Cb -0.05 -1.17 -0.12 0.00 0.01 0.00 0.00 42.46 41.13 2jri s ILE 104 CO 0.79 0.39 1.83 -0.67 0.00 0.00 0.00 174.94 177.28 2jri n ASP 105 N 4.13 3.50 0.21 3.58 2.03 -1.26 -4.88 116.55 123.86 2jri n ASP 105 Ca -0.20 0.99 0.14 0.00 0.52 0.00 0.00 54.79 56.24 2jri n ASP 105 Cb 0.51 -1.41 0.45 0.00 -0.72 0.00 0.00 41.12 39.95 2jri n ASP 105 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jri h PRO 106 N 8.73 0.00 0.00 -0.67 0.13 -1.99 -3.05 132.00 135.15 2jri h PRO 106 Ca -0.48 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 2jri h PRO 106 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2jri h PRO 106 CO 0.94 0.00 -0.65 0.82 -0.23 0.00 0.00 178.00 178.88 2jri h ILE 107 N 0.00 1.18 -0.20 -3.56 2.04 -1.92 -2.97 117.51 112.08 2jri h ILE 107 Ca 0.00 -2.49 0.00 0.00 1.00 0.00 0.00 64.86 63.37 2jri h ILE 107 Cb 0.67 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 2jri h ILE 107 CO 0.00 0.63 0.00 -3.20 0.00 0.00 0.00 178.15 175.58 2jri n ASN 108 N -3.35 1.53 -2.64 1.72 5.15 -1.15 -4.90 115.26 111.62 2jri n ASN 108 Ca 0.01 -1.78 0.00 0.00 -0.60 0.00 0.00 54.58 52.21 2jri n ASN 108 Cb 0.76 -0.13 0.00 0.00 -0.53 0.00 0.00 39.78 39.88 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 0.26 0.04 0.00 1.20 -0.58 -1.12 -5.06 120.64 115.37 2jri n GLU 109 Ca 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 2jri n GLU 109 Cb 0.29 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.16 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 -0.80 0.00 -3.65 3.49 0.00 -1.26 -4.95 116.66 109.50 2jri n ARG 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2jri n ARG 110 Cb 0.00 -0.88 -0.06 0.00 -0.00 0.00 0.00 32.46 31.52 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 -3.83 -0.22 -0.04 2.89 1.04 -1.26 -2.47 113.70 109.82 2jri s SER 111 Ca 0.00 0.36 -0.06 0.00 0.48 0.00 0.00 55.95 56.73 2jri s SER 111 Cb 0.00 1.03 0.01 0.00 0.10 0.00 0.00 66.02 67.16 2jri s SER 111 CO 0.00 -0.06 0.14 0.72 0.98 0.00 0.00 173.24 175.02 2jri s PHE 112 N 1.07 -0.08 -0.13 5.02 -0.71 -0.78 -0.95 117.98 121.41 2jri s PHE 112 Ca -0.07 0.20 0.03 0.00 -1.04 0.00 0.00 56.93 56.04 2jri s PHE 112 Cb -0.03 0.01 0.01 0.00 -1.21 0.00 0.00 43.02 41.80 2jri s PHE 112 CO -0.12 -0.15 -0.22 0.42 -1.34 0.00 0.00 175.22 173.82 2jri s ILE 113 N -0.43 2.15 -0.23 -4.49 1.01 0.40 -1.29 121.20 118.31 2jri s ILE 113 Ca -0.05 -0.96 -0.03 0.00 0.00 0.00 0.00 60.65 59.61 2jri s ILE 113 Cb -0.03 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.59 2jri s ILE 113 CO 0.01 0.55 -0.06 0.00 0.00 0.00 0.00 174.94 175.43 2jri s ASN 115 N 1.40 6.39 -0.44 0.00 2.20 -0.94 0.67 114.94 124.23 2jri s ASN 115 Ca 0.03 0.50 0.09 0.00 -0.94 0.00 0.00 52.86 52.54 2jri s ASN 115 Cb -0.15 -2.05 0.39 0.00 -2.00 0.00 0.00 41.25 37.44 2jri s ASN 115 CO -0.05 -0.11 0.96 0.00 -2.94 0.00 0.00 177.10 174.96 2jri n TYR 116 N -0.86 2.53 0.00 1.54 9.36 0.13 -1.00 117.16 128.85 2jri n TYR 116 Ca -0.04 -3.45 0.00 0.00 3.32 0.00 0.00 57.90 57.73 2jri n TYR 116 Cb 0.54 -0.33 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 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 -0.18 0.00 0.00 2.98 3.00 -1.26 -3.97 118.16 118.73 2jri n LYS 117 Ca 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.59 2jri n LYS 117 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.55 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 -3.77 1.64 0.00 -1.26 -5.08 120.64 112.17 2jri n GLU 118 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 57.16 56.86 2jri n GLU 118 Cb 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 31.44 30.82 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 -1.72 3.49 -0.12 4.31 3.76 -1.25 -5.10 115.29 118.66 2jri s HIS 119 Ca 0.00 0.38 0.02 0.00 -0.15 0.00 0.00 55.06 55.32 2jri s HIS 119 Cb 0.00 -1.87 0.01 0.00 1.11 0.00 0.00 32.58 31.83 2jri s HIS 119 CO 0.00 0.47 -0.19 -1.58 -0.85 0.00 0.00 174.74 172.59 2jri s TRP 120 N -1.67 2.33 -0.65 1.40 0.52 -1.26 0.18 118.94 119.79 2jri s TRP 120 Ca 0.38 -1.11 -0.21 0.00 0.02 0.00 0.00 56.10 55.18 2jri s TRP 120 Cb -0.12 -1.62 0.08 0.00 -1.15 0.00 0.00 33.47 30.67 2jri s TRP 120 CO 0.27 -0.52 0.88 -0.06 0.02 0.00 0.00 176.95 177.54 2jri s PHE 121 N 0.82 2.80 -0.78 -1.98 0.40 0.21 -4.76 117.98 114.70 2jri s PHE 121 Ca -0.09 -0.73 -0.25 0.00 -0.60 0.00 0.00 56.93 55.27 2jri s PHE 121 Cb -0.16 -4.20 0.04 0.00 0.51 0.00 0.00 43.02 39.22 2jri s PHE 121 CO -0.00 -1.52 1.25 0.99 0.70 0.00 0.00 175.22 176.63 2jri s THR 122 N 3.54 3.89 -0.60 0.64 2.01 -1.26 -1.27 115.64 122.59 2jri s THR 122 Ca 0.19 0.01 -0.18 0.00 0.31 0.00 0.00 61.69 62.02 2jri s THR 122 Cb -0.19 -4.90 0.12 0.00 0.01 0.00 0.00 72.50 67.54 2jri s THR 122 CO 0.08 -1.79 0.67 -0.69 -0.69 0.00 0.00 174.62 172.20 2jri s VAL 123 N 5.21 4.95 -0.13 3.82 1.01 -0.41 -0.46 120.40 134.40 2jri s VAL 123 Ca 0.34 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.05 2jri s VAL 123 Cb -0.08 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.80 2jri s VAL 123 CO 0.09 -1.07 0.11 -0.60 0.00 0.00 0.00 175.10 173.63 2jri s ARG 124 N 2.29 3.46 0.05 2.72 6.06 -0.55 -1.87 118.95 131.12 2jri s ARG 124 Ca 0.10 -0.20 -0.30 0.00 -2.50 0.00 0.00 55.73 52.83 2jri s ARG 124 Cb -0.24 -3.14 -0.05 0.00 0.06 0.00 0.00 34.95 31.57 2jri s ARG 124 CO 0.04 0.69 1.20 0.21 -2.50 0.00 0.00 175.30 174.95 2jri s LYS 125 N -0.79 4.42 -0.18 5.12 2.20 -1.03 -2.04 119.74 127.44 2jri s LYS 125 Ca 0.13 1.76 -0.01 0.00 -0.36 0.00 0.00 55.97 57.49 2jri s LYS 125 Cb -0.12 -3.38 0.05 0.00 -1.51 0.00 0.00 37.83 32.87 2jri s LYS 125 CO 0.03 -0.28 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.55 2jri s LEU 126 N 1.23 1.47 0.00 5.43 2.96 -0.08 -4.84 118.68 124.86 2jri s LEU 126 Ca 0.58 -0.74 0.00 0.00 -0.22 0.00 0.00 54.13 53.75 2jri s LEU 126 Cb -0.29 -0.77 0.00 0.00 0.50 0.00 0.00 46.19 45.63 2jri s LEU 126 CO 0.28 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.68 2jri n GLY 127 N 4.94 2.21 0.07 7.98 0.00 -0.93 -0.81 105.19 118.65 2jri n GLY 127 Ca -0.10 0.28 0.04 0.00 0.00 0.00 0.00 46.02 46.24 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 4.18 3.67 -2.84 1.61 0.00 -1.21 -4.97 118.16 118.59 2jri n LYS 128 Ca 0.00 -0.20 -0.18 0.00 0.00 0.00 0.00 58.31 57.93 2jri n LYS 128 Cb 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 35.03 34.18 2jri n LYS 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 2jri n GLN 129 N -0.85 0.64 -4.25 1.64 3.00 0.01 -4.95 117.38 112.62 2jri n GLN 129 Ca 0.02 -2.88 -0.18 0.00 -0.01 0.00 0.00 57.00 53.95 2jri n GLN 129 Cb 0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 30.24 30.05 2jri n GLN 129 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 2jri s TRP 130 N -2.32 1.10 -0.00 1.08 0.52 -1.17 -0.90 118.94 117.25 2jri s TRP 130 Ca 0.55 -0.39 0.00 0.00 0.02 0.00 0.00 56.10 56.29 2jri s TRP 130 Cb -0.04 -0.64 0.00 0.00 -1.15 0.00 0.00 33.47 31.63 2jri s TRP 130 CO 0.35 0.02 -0.01 -0.06 0.02 0.00 0.00 176.95 177.27 2jri s PHE 131 N -1.01 0.15 -0.17 -1.98 0.08 -0.86 -1.62 117.98 112.56 2jri s PHE 131 Ca -0.01 -0.02 -0.17 0.00 0.12 0.00 0.00 56.93 56.85 2jri s PHE 131 Cb -0.08 -0.11 -0.04 0.00 -0.57 0.00 0.00 43.02 42.21 2jri s PHE 131 CO 0.01 -0.01 0.42 1.21 -0.10 0.00 0.00 175.22 176.75 2jri s ASN 132 N 0.06 6.53 -0.49 1.36 2.47 -1.24 -1.48 114.94 122.15 2jri s ASN 132 Ca -0.00 0.62 -0.01 0.00 0.42 0.00 0.00 52.86 53.89 2jri s ASN 132 Cb -0.02 -2.25 0.13 0.00 -1.45 0.00 0.00 41.25 37.66 2jri s ASN 132 CO -0.00 -0.04 0.27 -0.76 -3.72 0.00 0.00 177.10 172.85 2jri s LEU 133 N 1.04 5.00 0.21 3.21 1.43 0.39 -3.66 118.68 126.30 2jri s LEU 133 Ca 0.21 -2.52 0.09 0.00 -1.03 0.00 0.00 54.13 50.88 2jri s LEU 133 Cb -0.15 -1.77 -0.05 0.00 0.03 0.00 0.00 46.19 44.26 2jri s LEU 133 CO 0.08 -0.40 -0.18 0.21 0.23 0.00 0.00 176.35 176.29 2jri s ASN 134 N 0.89 2.94 0.00 2.29 2.47 -1.26 -4.22 114.94 118.04 2jri s ASN 134 Ca 0.13 -0.96 0.25 0.00 0.42 0.00 0.00 52.86 52.70 2jri s ASN 134 Cb -0.22 -0.19 1.14 0.00 -1.45 0.00 0.00 41.25 40.52 2jri s ASN 134 CO -0.04 -0.05 1.82 -1.20 -3.72 0.00 0.00 177.10 173.92 2jri n SER 135 N -0.18 0.00 0.00 -4.21 7.64 -1.26 -4.06 113.62 111.54 2jri n SER 135 Ca -0.09 0.34 0.00 0.00 1.01 0.00 0.00 58.87 60.13 2jri n SER 135 Cb 0.59 -0.44 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 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 -1.44 1.15 -4.56 -3.43 7.94 -1.26 -4.88 117.00 110.53 2jri n LEU 136 Ca 0.08 0.36 -0.38 0.00 -1.11 0.00 0.00 56.01 54.96 2jri n LEU 136 Cb 0.27 -0.26 0.05 0.00 0.53 0.00 0.00 43.42 44.01 2jri n LEU 136 CO 0.22 -0.26 0.36 0.00 -1.11 0.00 0.00 177.39 176.61 2jri n LEU 137 N -1.27 2.59 0.01 -1.96 -0.00 -1.26 -4.94 117.00 110.17 2jri n LEU 137 Ca 0.00 0.78 0.06 0.00 -0.00 0.00 0.00 56.01 56.85 2jri n LEU 137 Cb 0.00 -1.31 -0.12 0.00 -0.00 0.00 0.00 43.42 42.00 2jri n LEU 137 CO 0.00 -2.33 -0.58 1.07 -0.00 0.00 0.00 177.39 175.55 2jri n THR 138 N -1.73 0.53 -4.96 1.47 5.66 -1.26 -4.82 114.28 109.16 2jri n THR 138 Ca 0.13 -0.60 -0.27 0.00 -3.05 0.00 0.00 64.05 60.26 2jri n THR 138 Cb 0.47 -0.26 -0.16 0.00 -1.55 0.00 0.00 70.33 68.84 2jri n THR 138 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2jri s GLY 139 N -4.68 1.00 0.17 1.09 0.00 -1.26 -5.10 107.32 98.54 2jri s GLY 139 Ca -0.06 -0.82 -0.32 0.00 0.00 0.00 0.00 44.72 43.51 2jri s GLY 139 CO 0.86 -0.58 1.73 -1.05 0.00 0.00 0.00 173.10 174.06 2jri n PRO 140 N 2.83 2.66 -1.95 2.90 -0.02 -1.26 -4.90 135.00 135.26 2jri n PRO 140 Ca -0.16 0.96 -0.43 0.00 -2.02 0.00 0.00 63.50 61.85 2jri n PRO 140 Cb 0.53 -2.81 -0.03 0.00 -0.02 0.00 0.00 33.50 31.17 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 1.54 3.87 -0.84 -0.52 2.02 -1.24 -4.86 118.70 118.66 2jri s GLU 141 Ca 0.78 2.00 -0.25 0.00 0.02 0.00 0.00 54.97 57.52 2jri s GLU 141 Cb -0.53 -4.09 -0.02 0.00 0.10 0.00 0.00 34.13 29.59 2jri s GLU 141 CO 0.35 -1.23 1.82 -1.17 0.02 0.00 0.00 175.26 175.05 2jri s LEU 142 N 5.17 3.24 -0.38 1.80 2.96 -1.26 -3.60 118.68 126.62 2jri s LEU 142 Ca 0.78 -0.55 -0.22 0.00 -0.22 0.00 0.00 54.13 53.93 2jri s LEU 142 Cb -0.31 -2.55 0.01 0.00 0.50 0.00 0.00 46.19 43.84 2jri s LEU 142 CO 0.32 -2.43 0.72 -0.63 -1.32 0.00 0.00 176.35 173.01 2jri s ILE 143 N 8.85 4.78 0.78 6.68 1.01 -0.64 -5.04 121.20 137.62 2jri s ILE 143 Ca 0.64 0.64 -0.10 0.00 0.00 0.00 0.00 60.65 61.83 2jri s ILE 143 Cb -0.07 -4.18 0.09 0.00 0.01 0.00 0.00 42.46 38.31 2jri s ILE 143 CO 0.04 -0.45 1.12 -0.44 0.00 0.00 0.00 174.94 175.20 2jri s SER 144 N 1.88 4.45 0.01 3.58 0.01 -1.26 -3.04 113.70 119.33 2jri s SER 144 Ca 0.28 0.52 -0.07 0.00 1.31 0.00 0.00 55.95 57.99 2jri s SER 144 Cb -0.14 -1.01 -0.03 0.00 0.21 0.00 0.00 66.02 65.05 2jri s SER 144 CO 0.17 -1.88 1.10 0.44 0.41 0.00 0.00 173.24 173.49 2jri h ASP 145 N -0.91 -0.23 0.17 2.44 5.19 -1.97 -0.20 116.42 120.93 2jri h ASP 145 Ca -0.45 0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 55.95 2jri h ASP 145 Cb 1.31 0.07 -0.00 0.00 0.18 0.00 0.00 39.33 40.88 2jri h ASP 145 CO 0.59 -0.14 -0.10 0.74 -3.12 0.00 0.00 179.24 177.21 2jri h THR 146 N -0.22 0.83 -0.16 0.35 2.02 -2.00 -2.24 112.91 111.48 2jri h THR 146 Ca -0.02 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2jri h THR 146 Cb 0.18 1.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2jri h THR 146 CO 0.02 0.10 0.04 0.22 0.37 0.00 0.00 175.52 176.28 2jri h TYR 147 N 0.00 0.26 -0.93 3.16 3.20 -1.91 -2.71 116.97 118.04 2jri h TYR 147 Ca -0.00 -0.03 0.09 0.00 3.14 0.00 0.00 58.73 61.93 2jri h TYR 147 Cb 0.22 -0.08 -0.07 0.00 1.54 0.00 0.00 36.73 38.35 2jri h TYR 147 CO 0.00 0.38 0.60 1.25 -1.64 0.00 0.00 178.16 178.75 2jri h LEU 148 N 0.07 0.87 -1.05 2.82 5.85 -0.42 0.49 115.31 123.94 2jri h LEU 148 Ca 0.05 0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2jri h LEU 148 Cb 0.24 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.06 2jri h LEU 148 CO -0.00 0.52 0.64 0.00 -0.34 0.00 0.00 178.44 179.25 2jri h ALA 149 N 1.53 1.34 0.04 1.25 0.00 -1.31 0.16 119.26 122.27 2jri h ALA 149 Ca 0.43 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.10 2jri h ALA 149 Cb 0.36 -0.37 0.02 0.00 0.00 0.00 0.00 17.79 17.80 2jri h ALA 149 CO -0.19 0.59 -0.74 1.25 0.00 0.00 0.00 179.25 180.16 2jri h LEU 150 N 1.27 0.58 -0.46 0.00 5.85 -0.86 -3.19 115.31 118.49 2jri h LEU 150 Ca 0.37 -0.81 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2jri h LEU 150 Cb -0.08 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.72 2jri h LEU 150 CO -0.09 1.32 0.20 0.15 -0.34 0.00 0.00 178.44 179.67 2jri h PHE 151 N -0.09 0.36 -0.89 1.25 3.57 0.30 0.12 116.94 121.55 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 -0.09 -0.06 0.00 2.79 0.00 0.00 35.95 40.06 2jri h PHE 151 CO 0.15 0.15 0.57 -0.07 -2.23 0.00 0.00 178.31 176.89 2jri h LEU 152 N 0.40 0.92 -0.35 0.59 -0.00 -0.78 0.10 115.31 116.18 2jri h LEU 152 Ca 0.21 0.01 -0.13 0.00 -0.00 0.00 0.00 57.88 57.97 2jri h LEU 152 Cb 0.17 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 2jri h LEU 152 CO -0.18 0.61 -0.27 0.00 -0.00 0.00 0.00 178.44 178.59 2jri h ALA 153 N 1.40 0.51 -0.95 1.53 0.00 -1.34 -2.93 119.26 117.48 2jri h ALA 153 Ca 0.37 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2jri h ALA 153 Cb 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 2jri h ALA 153 CO -0.15 0.53 0.62 1.96 0.00 0.00 0.00 179.25 182.21 2jri h GLN 154 N 0.60 1.26 -0.84 0.00 1.08 -0.02 -0.71 115.11 116.48 2jri h GLN 154 Ca 0.07 -0.08 -0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2jri h GLN 154 Cb 0.85 -0.28 -0.04 0.00 -0.05 0.00 0.00 27.48 27.96 2jri h GLN 154 CO 0.07 0.84 0.48 -0.07 -0.95 0.00 0.00 178.83 179.20 2jri h LEU 155 N 1.29 1.03 -0.32 1.46 3.38 -0.89 0.38 115.31 121.64 2jri h LEU 155 Ca 0.35 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.15 2jri h LEU 155 Cb -0.14 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.34 2jri h LEU 155 CO -0.07 0.82 -0.12 1.56 0.09 0.00 0.00 178.44 180.71 2jri h GLN 156 N 1.16 0.64 -0.39 1.13 4.20 -1.21 0.84 115.11 121.48 2jri h GLN 156 Ca 0.30 -0.27 -0.13 0.00 0.06 0.00 0.00 58.65 58.61 2jri h GLN 156 Cb -0.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2jri h GLN 156 CO -0.05 0.84 -0.28 1.96 -0.67 0.00 0.00 178.83 180.63 2jri h GLN 157 N 0.41 0.83 -0.31 1.46 4.20 -0.80 -3.13 115.11 117.77 2jri h GLN 157 Ca 0.08 -0.37 -0.12 0.00 0.06 0.00 0.00 58.65 58.30 2jri h GLN 157 Cb 0.63 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2jri h GLN 157 CO 0.04 1.00 -0.26 1.49 -0.67 0.00 0.00 178.83 180.43 2jri h GLU 158 N 0.70 0.73 0.00 1.46 4.57 -0.21 -3.48 114.58 118.36 2jri h GLU 158 Ca 0.08 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.90 2jri h GLU 158 Cb 0.82 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.41 2jri h GLU 158 CO 0.07 0.98 0.00 0.41 -1.18 0.00 0.00 179.01 179.29 2jri n GLY 159 N 0.10 0.97 0.00 1.92 0.00 -0.46 -5.09 105.19 102.64 2jri n GLY 159 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.64 -3.23 1.61 4.02 0.17 -4.81 117.16 114.28 2jri n TYR 160 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.90 57.74 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 0.45 -0.50 7.72 0.01 -0.17 -4.91 113.70 115.29 2jri s SER 161 Ca 0.00 -1.89 -0.28 0.00 1.31 0.00 0.00 55.95 55.09 2jri s SER 161 Cb 0.00 0.74 0.00 0.00 0.21 0.00 0.00 66.02 66.97 2jri s SER 161 CO 0.00 -0.19 1.56 -0.63 0.41 0.00 0.00 173.24 174.39 2jri s ILE 162 N 1.03 3.68 -0.47 1.44 1.01 -1.26 -2.20 121.20 124.42 2jri s ILE 162 Ca 0.23 0.60 -0.15 0.00 0.00 0.00 0.00 60.65 61.33 2jri s ILE 162 Cb -0.07 -4.17 0.07 0.00 0.01 0.00 0.00 42.46 38.31 2jri s ILE 162 CO -0.07 -0.91 0.40 -0.36 0.00 0.00 0.00 174.94 173.99 2jri s PHE 163 N 6.62 3.25 -0.10 3.97 0.08 0.14 -0.74 117.98 131.19 2jri s PHE 163 Ca 0.61 -0.95 -0.13 0.00 0.12 0.00 0.00 56.93 56.58 2jri s PHE 163 Cb -0.14 -3.19 -0.05 0.00 -0.57 0.00 0.00 43.02 39.08 2jri s PHE 163 CO 0.27 -0.80 0.32 0.54 -0.10 0.00 0.00 175.22 175.45 2jri s VAL 164 N 1.64 5.24 -0.12 -0.44 0.11 0.79 -0.46 120.40 127.16 2jri s VAL 164 Ca 0.04 0.63 -0.17 0.00 -2.93 0.00 0.00 61.98 59.55 2jri s VAL 164 Cb -0.24 -3.64 -0.04 0.00 -1.53 0.00 0.00 36.38 30.92 2jri s VAL 164 CO 0.06 0.48 0.42 -0.69 -3.33 0.00 0.00 175.10 172.04 2jri s VAL 165 N -0.25 5.21 0.04 2.04 1.01 -0.13 -0.23 120.40 128.09 2jri s VAL 165 Ca 0.19 0.82 0.04 0.00 0.00 0.00 0.00 61.98 63.03 2jri s VAL 165 Cb -0.14 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 2jri s VAL 165 CO 0.07 0.37 -0.03 -0.54 0.00 0.00 0.00 175.10 174.97 2jri s LYS 166 N 0.41 2.57 0.00 2.72 -0.14 0.12 -4.44 119.74 120.99 2jri s LYS 166 Ca 0.23 -0.76 0.00 0.00 -1.36 0.00 0.00 55.97 54.08 2jri s LYS 166 Cb -0.15 -2.54 0.00 0.00 -1.68 0.00 0.00 37.83 33.47 2jri s LYS 166 CO 0.09 0.58 0.00 0.41 -0.76 0.00 0.00 175.35 175.67 2jri n GLY 167 N 1.16 0.13 3.39 -3.33 0.00 -1.26 -1.96 105.19 103.32 2jri n GLY 167 Ca -0.14 -2.25 -0.36 0.00 0.00 0.00 0.00 46.02 43.27 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 4.94 0.09 1.61 1.11 -1.26 -4.97 116.67 114.19 2jri s ASP 168 Ca 0.00 -0.36 0.07 0.00 0.18 0.00 0.00 52.55 52.44 2jri s ASP 168 Cb 0.00 -1.87 -0.04 0.00 1.07 0.00 0.00 42.92 42.08 2jri s ASP 168 CO 0.00 -0.07 -0.12 -0.76 1.18 0.00 0.00 175.17 175.41 2jri s LEU 169 N 1.56 2.96 0.76 1.23 1.02 -1.26 -4.97 118.68 119.99 2jri s LEU 169 Ca 0.05 -0.39 -0.13 0.00 0.02 0.00 0.00 54.13 53.69 2jri s LEU 169 Cb -0.15 -1.76 0.06 0.00 0.02 0.00 0.00 46.19 44.35 2jri s LEU 169 CO 0.02 0.20 1.15 -2.16 0.02 0.00 0.00 176.35 175.58 2jri s PRO 170 N -2.03 2.08 0.44 1.29 0.04 -1.26 -5.06 135.00 130.50 2jri s PRO 170 Ca 0.20 1.53 0.01 0.00 0.04 0.00 0.00 61.00 62.78 2jri s PRO 170 Cb -0.11 -1.85 -0.00 0.00 0.04 0.00 0.00 34.50 32.58 2jri s PRO 170 CO 0.12 -1.83 0.02 -0.40 0.04 0.00 0.00 177.00 174.95 2jri n ASP 171 N -3.09 2.90 -3.20 6.66 5.68 -1.26 -4.77 116.55 119.46 2jri n ASP 171 Ca 0.12 -3.00 -0.19 0.00 -0.50 0.00 0.00 54.79 51.22 2jri n ASP 171 Cb 0.51 0.43 -0.06 0.00 -1.14 0.00 0.00 41.12 40.86 2jri n ASP 171 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2jri h GLU 173 N 0.00 0.92 -0.92 0.00 4.57 -1.89 -2.15 114.58 115.11 2jri h GLU 173 Ca -0.23 -0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.00 2jri h GLU 173 Cb 1.03 -0.21 -0.08 0.00 -0.16 0.00 0.00 28.75 29.33 2jri h GLU 173 CO 0.36 0.61 0.56 0.00 -1.18 0.00 0.00 179.01 179.36 2jri h ALA 174 N 1.37 1.35 0.16 2.92 0.00 -1.97 0.13 119.26 123.22 2jri h ALA 174 Ca 0.34 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.27 2jri h ALA 174 Cb 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2jri h ALA 174 CO -0.15 0.18 -0.08 0.22 0.00 0.00 0.00 179.25 179.43 2jri h ASP 175 N 0.91 -0.18 -0.76 0.00 3.58 -1.73 -1.47 116.42 116.77 2jri h ASP 175 Ca 0.45 -0.26 0.05 0.00 0.42 0.00 0.00 57.03 57.69 2jri h ASP 175 Cb 0.42 0.05 -0.05 0.00 1.72 0.00 0.00 39.33 41.47 2jri h ASP 175 CO -0.25 0.19 0.50 1.56 -2.88 0.00 0.00 179.24 178.35 2jri h GLN 176 N -0.57 0.82 -0.01 0.28 4.20 -0.89 -2.11 115.11 116.83 2jri h GLN 176 Ca -0.02 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2jri h GLN 176 Cb 0.43 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.03 2jri h GLN 176 CO 0.04 0.54 -0.32 1.47 -0.67 0.00 0.00 178.83 179.88 2jri n LEU 177 N -4.47 0.94 -1.49 1.46 -0.00 0.40 -4.14 117.00 109.70 2jri n LEU 177 Ca 0.11 -0.23 -0.07 0.00 -0.00 0.00 0.00 56.01 55.83 2jri n LEU 177 Cb 0.19 -0.14 0.03 0.00 -0.00 0.00 0.00 43.42 43.49 2jri n LEU 177 CO 0.34 0.18 0.91 -0.11 -0.00 0.00 0.00 177.39 178.71 2jri n LEU 178 N -0.82 4.94 -1.01 1.47 -0.00 -0.56 -3.76 117.00 117.26 2jri n LEU 178 Ca 0.11 -2.43 0.09 0.00 -0.00 0.00 0.00 56.01 53.77 2jri n LEU 178 Cb 0.35 -0.86 0.24 0.00 -0.00 0.00 0.00 43.42 43.15 2jri n LEU 178 CO 0.28 0.89 0.70 0.00 -0.00 0.00 0.00 177.39 179.26 2jri n GLN 179 N 0.59 2.75 -2.85 1.96 1.13 -1.26 -3.34 117.38 116.37 2jri n GLN 179 Ca 0.13 -2.35 -0.11 0.00 -1.94 0.00 0.00 57.00 52.73 2jri n GLN 179 Cb 0.64 -1.43 0.06 0.00 0.11 0.00 0.00 30.24 29.62 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 1.12 0.98 -4.65 -1.09 0.00 -1.25 -5.03 117.12 107.20 2jri n MET 180 Ca 0.18 -2.27 -0.30 0.00 0.00 0.00 0.00 57.70 55.32 2jri n MET 180 Cb 0.53 -1.22 -0.17 0.00 0.00 0.00 0.00 33.22 32.36 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 -0.32 1.72 0.00 3.17 -1.09 -1.26 -5.08 121.20 118.34 2jri s ILE 181 Ca 0.27 -0.79 0.00 0.00 -2.23 0.00 0.00 60.65 57.90 2jri s ILE 181 Cb 0.29 -1.54 0.00 0.00 -1.58 0.00 0.00 42.46 39.64 2jri s ILE 181 CO -0.08 0.48 0.00 -1.14 -1.23 0.00 0.00 174.94 172.98