#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 2.86 -1.98 2.12 4.71 -1.26 -4.95 120.64 122.13 2jri n GLU 2 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 57.16 56.81 2jri n GLU 2 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.39 2jri n GLU 2 CO 0.00 0.00 0.00 -1.12 0.09 0.00 0.00 177.13 176.10 2jri s SER 3 N -0.87 5.11 0.05 1.62 0.01 -1.26 -4.95 113.70 113.40 2jri s SER 3 Ca 0.00 0.10 0.06 0.00 1.31 0.00 0.00 55.95 57.42 2jri s SER 3 Cb 0.00 -2.54 -0.03 0.00 0.21 0.00 0.00 66.02 63.66 2jri s SER 3 CO 0.00 -2.59 -0.13 -0.63 0.41 0.00 0.00 173.24 170.30 2jri s ILE 4 N 9.86 3.15 -1.20 1.44 1.01 -1.26 -3.68 121.20 130.51 2jri s ILE 4 Ca 0.71 -1.10 -0.19 0.00 0.00 0.00 0.00 60.65 60.07 2jri s ILE 4 Cb -0.11 -2.37 -0.02 0.00 0.01 0.00 0.00 42.46 39.96 2jri s ILE 4 CO 0.14 0.30 1.93 0.49 0.00 0.00 0.00 174.94 177.81 2jri n PHE 5 N 1.36 3.36 -2.24 3.97 3.72 -1.26 -4.79 117.46 121.58 2jri n PHE 5 Ca -0.15 -2.30 -0.41 0.00 -0.05 0.00 0.00 57.45 54.54 2jri n PHE 5 Cb 0.52 -2.43 0.00 0.00 -0.94 0.00 0.00 39.48 36.63 2jri n PHE 5 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 176.76 178.29 2jri n HIS 6 N 9.30 2.65 -1.83 1.38 -0.00 -1.26 -4.65 115.22 120.81 2jri n HIS 6 Ca 0.49 -2.74 -0.42 0.00 0.46 0.00 0.00 57.72 55.51 2jri n HIS 6 Cb 0.44 -1.64 -0.03 0.00 -0.12 0.00 0.00 29.99 28.64 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 -2.03 4.10 -0.05 1.57 0.41 -1.26 -4.98 118.70 116.46 2jri s GLU 7 Ca 0.48 2.37 0.06 0.00 -0.41 0.00 0.00 54.97 57.48 2jri s GLU 7 Cb 0.18 -4.09 -0.01 0.00 -1.78 0.00 0.00 34.13 28.42 2jri s GLU 7 CO -0.09 -0.97 -0.25 0.21 -0.49 0.00 0.00 175.26 173.67 2jri s LYS 8 N 4.37 2.43 0.08 1.61 2.47 -1.26 -4.83 119.74 124.62 2jri s LYS 8 Ca 0.82 -0.89 -0.09 0.00 -1.56 0.00 0.00 55.97 54.25 2jri s LYS 8 Cb -0.38 -2.10 0.00 0.00 -1.46 0.00 0.00 37.83 33.90 2jri s LYS 8 CO 0.36 0.40 0.20 1.14 0.16 0.00 0.00 175.35 177.61 2jri s GLN 9 N -0.21 0.84 -0.01 4.03 0.00 -1.26 -5.13 119.66 117.92 2jri s GLN 9 Ca -0.02 -0.90 -0.02 0.00 -0.00 0.00 0.00 55.36 54.42 2jri s GLN 9 Cb -0.13 0.34 -0.00 0.00 0.00 0.00 0.00 33.01 33.22 2jri s GLN 9 CO 0.03 -0.27 0.05 -1.21 0.00 0.00 0.00 175.29 173.89 2jri s GLU 10 N -3.70 0.20 0.00 9.60 2.02 -1.26 -4.88 118.70 120.69 2jri s GLU 10 Ca 0.04 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.83 2jri s GLU 10 Cb 0.04 0.08 0.00 0.00 0.10 0.00 0.00 34.13 34.35 2jri s GLU 10 CO -0.10 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.55 2jri n GLY 11 N 2.37 -0.53 7.00 -1.39 0.00 -1.26 -4.96 105.19 106.42 2jri n GLY 11 Ca -0.17 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.48 -4.46 -3.79 1.61 7.64 -1.26 -4.92 113.62 107.96 2jri n SER 12 Ca 0.00 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.60 2jri n SER 12 Cb 0.03 0.00 0.04 0.00 -1.01 0.00 0.00 64.21 63.27 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 -2.78 0.00 -3.43 7.99 -0.49 -4.84 117.00 113.45 2jri n LEU 13 Ca 0.00 -0.69 0.06 0.00 -0.01 0.00 0.00 56.01 55.38 2jri n LEU 13 Cb 0.00 -2.70 0.33 0.00 -0.11 0.00 0.00 43.42 40.94 2jri n LEU 13 CO 0.00 0.51 0.67 0.00 -1.51 0.00 0.00 177.39 177.06 2jri h ALA 15 N 2.61 1.59 0.00 0.00 0.00 -1.94 -0.40 119.26 121.12 2jri h ALA 15 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2jri h ALA 15 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2jri h ALA 15 CO 0.00 0.30 0.00 0.94 0.00 0.00 0.00 179.25 180.49 2jri n GLN 16 N -4.32 0.92 0.00 0.00 7.27 -1.06 -2.65 117.38 117.53 2jri n GLN 16 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 2jri n GLN 16 Cb 0.23 -1.08 0.00 0.00 2.41 0.00 0.00 30.24 31.80 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 -0.58 0.00 0.08 3.69 -0.00 -0.28 -4.26 115.22 113.87 2jri n HIS 17 Ca 0.03 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.20 2jri n HIS 17 Cb 0.02 0.03 0.26 0.00 -0.12 0.00 0.00 29.99 30.18 2jri n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2jri n LEU 19 N -4.12 1.87 -0.32 0.00 7.94 -1.08 -3.81 117.00 117.49 2jri n LEU 19 Ca -0.01 0.47 0.08 0.00 -1.11 0.00 0.00 56.01 55.44 2jri n LEU 19 Cb 0.40 -0.86 0.28 0.00 0.53 0.00 0.00 43.42 43.78 2jri n LEU 19 CO 0.41 -0.09 1.23 0.78 -1.11 0.00 0.00 177.39 178.62 2jri h ASN 20 N -1.00 0.84 0.40 1.96 4.21 -1.71 0.19 115.58 120.46 2jri h ASN 20 Ca -0.19 0.03 -0.23 0.00 1.21 0.00 0.00 56.30 57.12 2jri h ASN 20 Cb 0.98 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.05 2jri h ASN 20 CO -0.12 0.47 -0.96 0.78 -1.29 0.00 0.00 177.43 176.31 2jri h ASN 21 N 0.91 0.49 -0.03 5.81 -0.26 -1.68 -0.56 115.58 120.26 2jri h ASN 21 Ca 0.45 -0.40 -0.04 0.00 -0.56 0.00 0.00 56.30 55.75 2jri h ASN 21 Cb 0.48 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.59 2jri h ASN 21 CO -0.22 1.21 -0.14 0.25 -1.06 0.00 0.00 177.43 177.48 2jri h LEU 22 N 0.20 0.18 -0.29 1.61 7.12 -1.48 -3.14 115.31 119.51 2jri h LEU 22 Ca -0.08 -0.66 0.00 0.00 0.13 0.00 0.00 57.88 57.27 2jri h LEU 22 Cb 1.61 -0.05 0.00 0.00 -0.53 0.00 0.00 40.66 41.69 2jri h LEU 22 CO 0.16 0.81 0.00 0.18 -0.13 0.00 0.00 178.44 179.46 2jri n LEU 23 N -4.62 0.78 -3.29 2.25 4.77 0.60 -4.90 117.00 112.58 2jri n LEU 23 Ca -0.09 0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 56.35 2jri n LEU 23 Cb 0.41 -0.42 0.08 0.00 -2.33 0.00 0.00 43.42 41.16 2jri n LEU 23 CO 0.37 -0.34 0.09 0.00 -1.33 0.00 0.00 177.39 176.19 2jri n GLN 24 N -2.27 -5.77 0.00 3.23 1.13 -0.32 -4.70 117.38 108.67 2jri n GLN 24 Ca 0.04 0.81 0.00 0.00 -1.94 0.00 0.00 57.00 55.91 2jri n GLN 24 Cb 0.35 -5.69 0.00 0.00 0.11 0.00 0.00 30.24 25.02 2jri n GLN 24 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jri n GLY 25 N -1.14 1.91 3.59 1.08 0.00 -0.62 -4.68 105.19 105.33 2jri n GLY 25 Ca -0.25 -1.01 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2jri n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jri s GLU 26 N -2.00 3.71 0.00 1.61 2.02 -1.26 -4.43 118.70 118.34 2jri s GLU 26 Ca 0.00 0.45 0.00 0.00 0.02 0.00 0.00 54.97 55.44 2jri s GLU 26 Cb 0.00 -3.87 0.00 0.00 0.10 0.00 0.00 34.13 30.36 2jri s GLU 26 CO 0.00 -1.17 0.00 0.66 0.02 0.00 0.00 175.26 174.77 2jri n TYR 27 N 7.23 0.00 -2.61 1.61 4.01 -1.26 -5.06 117.16 121.08 2jri n TYR 27 Ca 0.08 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.40 2jri n TYR 27 Cb 0.48 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.49 2jri n TYR 27 CO 0.00 0.00 0.00 -0.06 -0.46 0.00 0.00 176.86 176.34 2jri s PHE 28 N 0.00 3.29 0.57 -0.72 0.40 -1.26 -5.03 117.98 115.23 2jri s PHE 28 Ca 0.00 1.40 -0.14 0.00 -0.60 0.00 0.00 56.93 57.59 2jri s PHE 28 Cb 0.00 -3.30 -0.05 0.00 0.51 0.00 0.00 43.02 40.17 2jri s PHE 28 CO 0.00 -0.69 1.02 -1.12 0.70 0.00 0.00 175.22 175.13 2jri s SER 29 N 1.33 6.28 0.33 1.36 0.01 -1.26 -4.92 113.70 116.82 2jri s SER 29 Ca 0.48 1.57 0.08 0.00 1.31 0.00 0.00 55.95 59.38 2jri s SER 29 Cb -0.18 -2.50 0.79 0.00 0.21 0.00 0.00 66.02 64.34 2jri s SER 29 CO 0.12 -0.83 1.80 -0.65 0.41 0.00 0.00 173.24 174.09 2jri h PRO 30 N 0.35 0.70 -0.22 12.44 0.11 -1.96 -0.40 132.00 143.02 2jri h PRO 30 Ca -0.46 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.54 2jri h PRO 30 Cb 1.19 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2jri h PRO 30 CO 0.61 0.47 -0.15 -0.24 -0.21 0.00 0.00 178.00 178.47 2jri h VAL 31 N 0.72 1.22 -0.37 3.15 3.04 -2.00 -2.73 116.25 119.28 2jri h VAL 31 Ca 0.54 -0.98 -0.07 0.00 -1.01 0.00 0.00 66.70 65.19 2jri h VAL 31 Cb 0.90 1.23 -0.01 0.00 -2.01 0.00 0.00 31.29 31.39 2jri h VAL 31 CO -0.32 0.31 -0.04 -0.33 -1.01 0.00 0.00 177.57 176.18 2jri h GLU 32 N 0.34 0.68 0.00 4.17 5.08 -1.45 -2.67 114.58 120.74 2jri h GLU 32 Ca 0.06 -0.24 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 2jri h GLU 32 Cb 0.48 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2jri h GLU 32 CO 0.03 0.81 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.72 2jri h LEU 33 N 0.49 0.00 -1.15 1.33 3.38 -1.22 -1.40 115.31 116.74 2jri h LEU 33 Ca 0.10 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2jri h LEU 33 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 2jri h LEU 33 CO 0.03 0.06 -0.35 0.28 0.09 0.00 0.00 178.44 178.54 2jri h SER 34 N 0.00 0.00 0.16 -0.43 0.02 -1.18 -2.56 113.55 109.56 2jri h SER 34 Ca -0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 2jri h SER 34 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.67 2jri h SER 34 CO 0.01 0.35 -1.68 0.28 -1.14 0.00 0.00 176.83 174.65 2jri h SER 35 N 0.00 0.53 0.77 3.07 0.02 -1.27 -3.33 113.55 113.35 2jri h SER 35 Ca -0.00 -0.92 0.00 0.00 -0.84 0.00 0.00 61.79 60.03 2jri h SER 35 Cb 0.77 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.13 2jri h SER 35 CO 0.05 1.75 0.00 2.30 -1.14 0.00 0.00 176.83 179.79 2jri n ILE 36 N -3.68 0.73 -0.03 3.27 -5.35 -1.00 -2.88 119.36 110.40 2jri n ILE 36 Ca -0.26 0.14 -0.01 0.00 -0.27 0.00 0.00 62.75 62.35 2jri n ILE 36 Cb 1.02 -0.91 0.26 0.00 -1.74 0.00 0.00 39.64 38.27 2jri n ILE 36 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2jri h ALA 37 N 2.52 1.29 0.00 -1.28 0.00 -1.57 -2.05 119.26 118.17 2jri h ALA 37 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2jri h ALA 37 Cb 0.39 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2jri h ALA 37 CO 0.00 0.48 0.00 0.72 0.00 0.00 0.00 179.25 180.45 2jri n HIS 38 N -4.26 0.36 -0.02 0.00 8.25 -1.12 -2.02 115.22 116.42 2jri n HIS 38 Ca 0.02 0.12 -0.16 0.00 -0.26 0.00 0.00 57.72 57.44 2jri n HIS 38 Cb 0.26 -0.70 -0.11 0.00 1.12 0.00 0.00 29.99 30.56 2jri n HIS 38 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2jri h GLN 39 N 0.00 0.27 0.00 -0.41 5.75 -1.53 -2.99 115.11 116.21 2jri h GLN 39 Ca 0.00 -0.29 -0.06 0.00 -0.15 0.00 0.00 58.65 58.16 2jri h GLN 39 Cb 0.44 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 29.07 2jri h GLN 39 CO 0.00 0.99 -0.27 1.25 -2.65 0.00 0.00 178.83 178.15 2jri h LEU 40 N -0.32 0.00 -0.28 -2.39 7.12 -1.52 -2.88 115.31 115.03 2jri h LEU 40 Ca -0.05 0.00 0.03 0.00 0.13 0.00 0.00 57.88 57.99 2jri h LEU 40 Cb 1.12 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 41.22 2jri h LEU 40 CO 0.08 0.27 0.11 -0.78 -0.13 0.00 0.00 178.44 177.98 2jri h ASP 41 N 0.00 0.13 -0.98 1.25 3.58 -1.35 0.92 116.42 119.98 2jri h ASP 41 Ca -0.00 0.03 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2jri h ASP 41 Cb 0.73 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.74 2jri h ASP 41 CO 0.03 0.11 0.64 -0.08 -2.88 0.00 0.00 179.24 177.06 2jri h GLU 42 N 0.24 1.29 -0.79 0.28 4.57 -1.36 0.23 114.58 119.04 2jri h GLU 42 Ca 0.12 -0.08 -0.05 0.00 -1.18 0.00 0.00 59.36 58.17 2jri h GLU 42 Cb 0.08 -0.29 -0.03 0.00 -0.16 0.00 0.00 28.75 28.35 2jri h GLU 42 CO -0.12 0.86 0.30 0.93 -1.18 0.00 0.00 179.01 179.80 2jri h GLU 43 N 1.33 1.20 -0.30 1.92 5.08 -1.28 -1.05 114.58 121.48 2jri h GLU 43 Ca 0.36 -0.23 -0.13 0.00 -1.00 0.00 0.00 59.36 58.35 2jri h GLU 43 Cb -0.14 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 28.91 2jri h GLU 43 CO -0.08 0.98 -0.36 0.93 -1.00 0.00 0.00 179.01 179.48 2jri h GLU 44 N 1.16 0.68 -0.57 2.33 4.39 0.10 -2.28 114.58 120.39 2jri h GLU 44 Ca 0.26 -0.33 0.02 0.00 0.34 0.00 0.00 59.36 59.65 2jri h GLU 44 Cb 0.24 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.86 2jri h GLU 44 CO -0.02 0.94 0.36 -0.09 -1.16 0.00 0.00 179.01 179.04 2jri h ARG 45 N 0.57 0.70 -0.59 2.33 2.43 -0.03 -1.01 114.38 118.78 2jri h ARG 45 Ca 0.06 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.11 2jri h ARG 45 Cb 0.88 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.25 2jri h ARG 45 CO 0.08 0.46 0.07 0.52 -1.51 0.00 0.00 179.97 179.59 2jri h MET 46 N 0.72 0.98 -0.84 0.20 2.86 -1.06 -2.60 114.93 115.19 2jri h MET 46 Ca 0.22 -0.26 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 2jri h MET 46 Cb -0.03 -0.12 -0.04 0.00 0.06 0.00 0.00 31.60 31.48 2jri h MET 46 CO -0.08 0.92 0.42 -0.09 1.06 0.00 0.00 176.91 179.15 2jri h ARG 47 N 0.91 1.20 -0.42 1.72 1.12 -0.79 0.17 114.38 118.29 2jri h ARG 47 Ca 0.18 -0.16 -0.05 0.00 -1.11 0.00 0.00 59.98 58.84 2jri h ARG 47 Cb 0.44 -0.22 -0.02 0.00 -0.01 0.00 0.00 29.97 30.16 2jri h ARG 47 CO 0.01 0.91 0.07 1.98 -3.11 0.00 0.00 179.97 179.83 2jri h MET 48 N 1.19 0.63 0.02 0.20 4.05 -0.88 -0.21 114.93 119.93 2jri h MET 48 Ca 0.29 -0.12 -0.27 0.00 -0.28 0.00 0.00 59.70 59.32 2jri h MET 48 Cb 0.09 -0.10 0.02 0.00 -0.80 0.00 0.00 31.60 30.81 2jri h MET 48 CO -0.04 0.61 -1.06 0.00 0.23 0.00 0.00 176.91 176.64 2jri h ALA 49 N 1.47 0.14 -0.41 0.39 0.00 -1.02 -0.28 119.26 119.55 2jri h ALA 49 Ca 0.14 -0.71 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2jri h ALA 49 Cb 0.28 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2jri h ALA 49 CO 0.00 0.71 0.23 1.49 0.00 0.00 0.00 179.25 181.69 2jri h GLU 50 N 0.35 0.56 0.00 0.00 4.57 -0.27 -1.74 114.58 118.05 2jri h GLU 50 Ca -0.13 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 2jri h GLU 50 Cb 1.72 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 30.20 2jri h GLU 50 CO 0.20 0.43 0.00 0.41 -1.18 0.00 0.00 179.01 178.88 2jri n GLY 51 N -1.04 -1.36 2.34 1.92 0.00 -0.13 -4.89 105.19 102.03 2jri n GLY 51 Ca 0.00 -0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 0.71 0.06 0.09 -0.02 0.00 -0.65 -4.93 105.19 100.44 2jri n GLY 52 Ca 0.05 -0.35 -0.11 0.00 0.00 0.00 0.00 46.02 45.60 2jri n GLY 52 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jri h VAL 53 N -0.56 1.19 -4.18 1.61 2.07 -1.31 -3.46 116.25 111.60 2jri h VAL 53 Ca -0.26 -2.93 -0.47 0.00 0.82 0.00 0.00 66.70 63.86 2jri h VAL 53 Cb 1.18 2.65 -0.29 0.00 -1.52 0.00 0.00 31.29 33.32 2jri h VAL 53 CO 0.28 0.75 -0.81 0.42 0.02 0.00 0.00 177.57 178.23 2jri s THR 54 N -2.64 1.06 -0.05 2.57 -4.23 -1.19 -5.01 115.64 106.16 2jri s THR 54 Ca -0.05 -0.58 0.21 0.00 -1.18 0.00 0.00 61.69 60.09 2jri s THR 54 Cb 0.08 -0.89 -0.32 0.00 1.34 0.00 0.00 72.50 72.71 2jri s THR 54 CO 0.83 0.30 0.42 -1.20 -0.54 0.00 0.00 174.62 174.43 2jri n SER 55 N 2.74 0.05 -2.17 3.99 7.64 -1.26 -4.37 113.62 120.24 2jri n SER 55 Ca -0.14 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.47 2jri n SER 55 Cb 0.55 1.85 0.03 0.00 -1.01 0.00 0.00 64.21 65.63 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 -2.32 3.42 0.31 1.43 4.71 -1.26 -4.79 120.64 122.14 2jri n GLU 56 Ca -0.08 -4.06 0.19 0.00 -0.01 0.00 0.00 57.16 53.19 2jri n GLU 56 Cb 0.64 -2.28 1.04 0.00 -1.01 0.00 0.00 31.44 29.84 2jri n GLU 56 CO 0.00 0.00 0.00 0.38 0.09 0.00 0.00 177.13 177.60 2jri h ASP 57 N 2.24 0.00 0.69 1.62 2.03 -1.95 0.13 116.42 121.19 2jri h ASP 57 Ca 0.40 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.70 2jri h ASP 57 Cb 1.28 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.78 2jri h ASP 57 CO 0.93 0.01 0.00 1.88 -1.03 0.00 0.00 179.24 181.03 2jri h TYR 58 N 0.00 0.00 0.00 4.15 0.05 -1.95 -2.78 116.97 116.43 2jri h TYR 58 Ca -0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2jri h TYR 58 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 2jri h TYR 58 CO 0.00 0.00 -0.32 -2.13 -1.05 0.00 0.00 178.16 174.66 2jri n ARG 59 N -2.49 0.00 0.26 4.88 0.63 -0.48 -4.40 116.66 115.07 2jri n ARG 59 Ca 0.01 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.06 2jri n ARG 59 Cb 0.22 -0.34 0.75 0.00 0.45 0.00 0.00 32.46 33.54 2jri n ARG 59 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2jri h THR 60 N 0.00 0.80 -0.01 5.15 2.02 -0.95 0.38 112.91 120.30 2jri h THR 60 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2jri h THR 60 Cb 0.32 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 2jri h THR 60 CO 0.00 0.00 -0.61 0.33 0.37 0.00 0.00 175.52 175.61 2jri n PHE 61 N -4.26 0.00 0.12 3.16 -0.00 -1.05 -3.91 117.46 111.52 2jri n PHE 61 Ca -0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.40 2jri n PHE 61 Cb 0.12 0.00 0.11 0.00 -0.00 0.00 0.00 39.48 39.71 2jri n PHE 61 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 2jri h LEU 62 N 1.80 0.03 -3.20 -2.13 5.85 -0.94 -2.86 115.31 113.86 2jri h LEU 62 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2jri h LEU 62 Cb 0.68 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2jri h LEU 62 CO 0.00 0.71 0.00 1.67 -0.34 0.00 0.00 178.44 180.48 2jri n GLN 63 N -3.73 3.44 -2.11 1.25 7.27 -1.12 -4.92 117.38 117.45 2jri n GLN 63 Ca -0.01 -2.76 -0.41 0.00 0.07 0.00 0.00 57.00 53.89 2jri n GLN 63 Cb 0.68 -1.81 -0.02 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 -2.21 4.35 0.90 3.69 2.00 -1.08 -4.99 119.66 122.32 2jri s GLN 64 Ca 0.43 2.21 -0.11 0.00 -2.00 0.00 0.00 55.36 55.89 2jri s GLN 64 Cb 0.31 -3.09 0.13 0.00 0.80 0.00 0.00 33.01 31.16 2jri s GLN 64 CO 0.15 -0.22 1.10 -2.14 -0.50 0.00 0.00 175.29 173.68 2jri s PRO 65 N -1.48 1.20 0.00 1.67 0.02 -1.26 -3.45 135.00 131.71 2jri s PRO 65 Ca 0.51 1.06 0.00 0.00 0.02 0.00 0.00 61.00 62.59 2jri s PRO 65 Cb -0.40 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.34 2jri s PRO 65 CO 0.50 -2.35 0.00 0.43 -0.33 0.00 0.00 177.00 175.26 2jri n SER 66 N -3.99 0.00 -0.01 2.53 7.64 -1.26 -4.51 113.62 114.01 2jri n SER 66 Ca 0.08 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.91 2jri n SER 66 Cb 0.54 0.00 0.17 0.00 -1.01 0.00 0.00 64.21 63.90 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 0.61 0.74 0.23 0.00 -1.84 -2.98 103.07 99.83 2jri h GLY 67 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 47.33 46.76 2jri h GLY 67 CO 0.00 0.47 -0.14 3.43 0.00 0.00 0.00 176.54 180.30 2jri h ASN 68 N 0.50 0.37 0.00 0.19 2.35 -1.79 -2.95 115.58 114.25 2jri h ASN 68 Ca 0.07 -0.48 0.00 0.00 -0.55 0.00 0.00 56.30 55.34 2jri h ASN 68 Cb 0.70 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.96 2jri h ASN 68 CO 0.05 0.77 0.00 0.80 -1.65 0.00 0.00 177.43 177.40 2jri n MET 69 N -4.56 0.00 0.00 0.81 1.56 -1.12 -4.56 117.12 109.24 2jri n MET 69 Ca -0.06 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 2jri n MET 69 Cb 0.36 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.73 2jri n MET 69 CO 0.00 0.00 0.00 -3.47 -0.73 0.00 0.00 175.97 171.77 2jri n ASP 70 N 0.00 0.00 0.08 6.12 2.03 -1.26 -3.89 116.55 119.62 2jri n ASP 70 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2jri n ASP 70 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 2jri n ASP 70 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2jri n ASP 71 N 0.00 0.16 -0.57 1.67 2.03 -1.26 -4.68 116.55 113.90 2jri n ASP 71 Ca 0.00 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.56 2jri n ASP 71 Cb 0.00 0.12 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 -3.16 0.00 -0.38 1.67 7.64 -1.26 -4.91 113.62 113.23 2jri n SER 72 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2jri n SER 72 Cb 0.00 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2jri n SER 72 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jri n GLY 73 N 5.00 0.66 0.94 0.23 0.00 -1.26 -4.81 105.19 105.95 2jri n GLY 73 Ca 0.00 -0.04 -0.06 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.13 -3.67 -3.71 1.61 3.72 -1.26 -1.40 117.46 112.62 2jri n PHE 74 Ca 0.01 -0.35 -0.11 0.00 -0.05 0.00 0.00 57.45 56.95 2jri n PHE 74 Cb 0.20 -0.22 -0.11 0.00 -0.94 0.00 0.00 39.48 38.41 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 -1.20 -0.54 0.84 1.38 0.08 -1.26 -4.80 117.98 112.48 2jri s PHE 75 Ca 0.17 1.19 -0.13 0.00 0.12 0.00 0.00 56.93 58.28 2jri s PHE 75 Cb -0.01 0.22 0.10 0.00 -0.57 0.00 0.00 43.02 42.77 2jri s PHE 75 CO 0.12 -0.31 1.21 -1.12 -0.10 0.00 0.00 175.22 175.02 2jri s SER 76 N 1.17 4.22 0.00 1.36 0.01 -1.25 -4.94 113.70 114.27 2jri s SER 76 Ca -0.08 0.69 0.15 0.00 1.31 0.00 0.00 55.95 58.02 2jri s SER 76 Cb -0.08 -1.10 0.70 0.00 0.21 0.00 0.00 66.02 65.75 2jri s SER 76 CO -0.10 -2.08 1.45 0.00 0.41 0.00 0.00 173.24 172.92 2jri n ILE 77 N -3.41 0.79 0.26 1.44 3.06 -1.26 -2.74 119.36 117.49 2jri n ILE 77 Ca 0.09 0.20 0.10 0.00 -2.50 0.00 0.00 62.75 60.64 2jri n ILE 77 Cb 0.61 -0.94 0.67 0.00 0.54 0.00 0.00 39.64 40.51 2jri n ILE 77 CO 0.00 0.00 0.00 1.56 -2.50 0.00 0.00 176.55 175.61 2jri h GLN 78 N 0.00 0.00 -0.90 9.51 7.50 -1.92 -1.39 115.11 127.91 2jri h GLN 78 Ca 0.00 0.00 -0.12 0.00 0.50 0.00 0.00 58.65 59.03 2jri h GLN 78 Cb 0.20 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.66 2jri h GLN 78 CO 0.00 0.10 0.15 1.33 -1.50 0.00 0.00 178.83 178.91 2jri n VAL 79 N -4.11 1.65 0.07 -0.54 0.24 -1.11 -3.43 118.33 111.10 2jri n VAL 79 Ca -0.03 -0.76 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 2jri n VAL 79 Cb 0.18 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 0.02 0.68 -0.11 1.34 2.08 -0.54 -4.38 119.36 118.46 2jri n ILE 80 Ca 0.20 0.23 -0.01 0.00 0.56 0.00 0.00 62.75 63.73 2jri n ILE 80 Cb 0.87 -1.21 0.25 0.00 -0.75 0.00 0.00 39.64 38.79 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 0.00 0.70 0.67 4.38 0.02 -1.67 -2.81 113.55 114.84 2jri h SER 81 Ca 0.00 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2jri h SER 81 Cb 0.11 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 2jri h SER 81 CO 0.00 0.65 -1.33 -3.20 -1.14 0.00 0.00 176.83 171.81 2jri n ASN 82 N -4.33 0.58 -0.19 3.07 5.15 -1.22 -3.75 115.26 114.57 2jri n ASN 82 Ca 0.04 0.22 -0.03 0.00 -0.60 0.00 0.00 54.58 54.21 2jri n ASN 82 Cb 0.17 0.94 0.07 0.00 -0.53 0.00 0.00 39.78 40.43 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 1.99 0.75 0.00 5.20 0.00 -1.69 -1.21 119.26 124.30 2jri h ALA 83 Ca -0.00 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2jri h ALA 83 Cb 1.01 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.68 2jri h ALA 83 CO 0.00 -0.04 -1.19 -0.07 0.00 0.00 0.00 179.25 177.96 2jri h LEU 84 N 0.57 0.00 -0.38 0.00 -0.00 -1.74 -3.34 115.31 110.43 2jri h LEU 84 Ca 0.26 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 58.12 2jri h LEU 84 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.81 2jri h LEU 84 CO -0.17 0.89 0.17 0.50 -0.00 0.00 0.00 178.44 179.82 2jri h LYS 85 N 0.00 0.55 0.00 1.13 3.64 -1.52 0.13 116.57 120.50 2jri h LYS 85 Ca -0.11 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.16 2jri h LYS 85 Cb 1.77 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.49 2jri h LYS 85 CO 0.10 0.50 -0.14 -0.39 -2.27 0.00 0.00 179.45 177.25 2jri h VAL 86 N 0.46 0.62 0.00 2.00 -1.51 -1.37 -1.50 116.25 114.95 2jri h VAL 86 Ca 0.13 -0.61 0.00 0.00 -1.23 0.00 0.00 66.70 64.98 2jri h VAL 86 Cb 0.15 1.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.70 2jri h VAL 86 CO -0.01 0.14 -0.10 -0.50 -1.23 0.00 0.00 177.57 175.87 2jri h TRP 87 N 0.00 0.00 0.00 5.19 4.06 -1.56 -3.47 115.95 120.17 2jri h TRP 87 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2jri h TRP 87 Cb 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.54 2jri h TRP 87 CO 0.00 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.29 2jri n GLY 88 N 1.26 0.88 3.98 1.49 0.00 -0.56 -5.11 105.19 107.13 2jri n GLY 88 Ca 0.05 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 3.15 -0.04 0.99 2.01 -0.01 -4.92 118.68 119.87 2jri s LEU 89 Ca 0.00 -0.14 0.03 0.00 0.01 0.00 0.00 54.13 54.03 2jri s LEU 89 Cb 0.00 -2.55 0.00 0.00 0.01 0.00 0.00 46.19 43.66 2jri s LEU 89 CO 0.00 -1.40 -0.14 -0.70 1.01 0.00 0.00 176.35 175.12 2jri s GLU 90 N -4.90 1.54 -0.20 1.70 2.12 -0.43 -3.80 118.70 114.73 2jri s GLU 90 Ca 0.60 -0.48 -0.06 0.00 0.36 0.00 0.00 54.97 55.39 2jri s GLU 90 Cb -0.09 -1.34 -0.03 0.00 0.26 0.00 0.00 34.13 32.93 2jri s GLU 90 CO 0.40 0.16 0.04 -1.17 -0.54 0.00 0.00 175.26 174.16 2jri s LEU 91 N 0.21 3.53 -0.08 2.70 2.96 -1.26 -0.02 118.68 126.72 2jri s LEU 91 Ca -0.06 -0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.80 2jri s LEU 91 Cb -0.12 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.68 2jri s LEU 91 CO 0.02 0.10 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.36 2jri s ILE 92 N 0.82 1.46 -1.23 6.68 -1.09 0.40 -4.95 121.20 123.28 2jri s ILE 92 Ca 0.02 -0.66 -0.19 0.00 -2.23 0.00 0.00 60.65 57.60 2jri s ILE 92 Cb -0.14 -1.31 0.07 0.00 -1.58 0.00 0.00 42.46 39.50 2jri s ILE 92 CO 0.02 0.43 1.66 -0.22 -1.23 0.00 0.00 174.94 175.60 2jri s LEU 93 N 0.65 3.82 0.57 2.97 2.96 -1.26 0.02 118.68 128.42 2jri s LEU 93 Ca -0.14 -2.24 0.38 0.00 -0.22 0.00 0.00 54.13 51.91 2jri s LEU 93 Cb -0.16 -2.57 1.93 0.00 0.50 0.00 0.00 46.19 45.89 2jri s LEU 93 CO 0.04 -1.23 2.15 0.15 -1.32 0.00 0.00 176.35 176.14 2jri h PHE 94 N 8.07 0.00 0.00 5.38 3.57 -1.11 -2.24 116.94 130.60 2jri h PHE 94 Ca 0.39 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.84 2jri h PHE 94 Cb 0.90 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 2jri h PHE 94 CO 1.38 0.00 -0.22 -0.97 -2.23 0.00 0.00 178.31 176.27 2jri h ASN 95 N 0.00 0.00 -3.40 0.41 -1.24 -1.82 -3.25 115.58 106.28 2jri h ASN 95 Ca 0.00 0.00 -0.55 0.00 0.71 0.00 0.00 56.30 56.46 2jri h ASN 95 Cb 0.15 0.00 -0.03 0.00 0.73 0.00 0.00 38.32 39.17 2jri h ASN 95 CO 0.00 0.22 0.25 -0.44 -1.29 0.00 0.00 177.43 176.17 2jri s SER 96 N -6.73 7.22 0.36 1.15 0.01 -0.84 -4.89 113.70 109.97 2jri s SER 96 Ca -0.03 1.47 0.16 0.00 1.31 0.00 0.00 55.95 58.85 2jri s SER 96 Cb 0.14 -2.50 1.08 0.00 0.21 0.00 0.00 66.02 64.96 2jri s SER 96 CO 0.67 -0.18 1.69 -0.65 0.41 0.00 0.00 173.24 175.18 2jri h PRO 97 N 6.67 0.36 -0.24 12.44 0.11 -1.88 0.44 132.00 149.90 2jri h PRO 97 Ca -0.41 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 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 0.10 1.05 -0.21 0.00 0.00 178.00 179.92 2jri h GLU 98 N 0.37 0.33 0.00 1.05 9.09 -1.92 -2.39 114.58 121.10 2jri h GLU 98 Ca 0.70 -0.03 -0.04 0.00 0.05 0.00 0.00 59.36 60.04 2jri h GLU 98 Cb 1.65 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.67 2jri h GLU 98 CO -0.50 0.27 -2.02 0.66 0.05 0.00 0.00 179.01 177.46 2jri n TYR 99 N -4.44 0.02 0.22 2.06 4.01 0.40 -4.26 117.16 115.17 2jri n TYR 99 Ca 0.01 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.82 2jri n TYR 99 Cb 0.12 -0.56 0.52 0.00 -0.31 0.00 0.00 39.34 39.11 2jri n TYR 99 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 2jri h GLN 100 N 0.00 0.00 -2.59 -0.72 4.15 0.20 -3.27 115.11 112.88 2jri h GLN 100 Ca -0.06 0.00 -0.55 0.00 0.77 0.00 0.00 58.65 58.81 2jri h GLN 100 Cb 1.13 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 28.78 2jri h GLN 100 CO 0.00 0.24 2.23 2.89 -1.93 0.00 0.00 178.83 182.27 2jri n ARG 101 N -3.90 3.33 -0.01 1.69 1.85 -0.94 -4.23 116.66 114.46 2jri n ARG 101 Ca -0.02 -2.15 0.08 0.00 -1.00 0.00 0.00 57.85 54.76 2jri n ARG 101 Cb 0.33 -2.51 -0.13 0.00 -1.05 0.00 0.00 32.46 29.10 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 2.72 0.00 -3.58 2.89 -0.00 -1.24 -5.01 117.00 112.78 2jri n LEU 102 Ca 0.64 0.00 -0.22 0.00 -0.00 0.00 0.00 56.01 56.43 2jri n LEU 102 Cb 0.43 0.02 0.08 0.00 -0.00 0.00 0.00 43.42 43.95 2jri n LEU 102 CO 0.60 0.02 0.18 0.54 -0.00 0.00 0.00 177.39 178.73 2jri n ARG 103 N -2.09 -7.27 -4.31 1.47 3.00 -1.26 -5.01 116.66 101.20 2jri n ARG 103 Ca -0.04 0.81 -0.31 0.00 -0.01 0.00 0.00 57.85 58.30 2jri n ARG 103 Cb 0.45 -5.82 -0.10 0.00 0.00 0.00 0.00 32.46 26.99 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 -3.35 3.71 -0.34 0.55 1.01 -1.26 -5.09 121.20 116.44 2jri s ILE 104 Ca 0.39 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.85 2jri s ILE 104 Cb -0.18 -2.69 0.01 0.00 0.01 0.00 0.00 42.46 39.62 2jri s ILE 104 CO 0.74 0.25 0.91 -0.62 0.00 0.00 0.00 174.94 176.23 2jri s ASP 105 N -1.85 6.73 0.56 3.58 2.15 -1.26 -4.92 116.67 121.66 2jri s ASP 105 Ca 0.21 0.71 0.34 0.00 0.43 0.00 0.00 52.55 54.23 2jri s ASP 105 Cb -0.11 -2.46 1.56 0.00 -0.30 0.00 0.00 42.92 41.61 2jri s ASP 105 CO 0.12 -0.78 2.07 1.55 -0.17 0.00 0.00 175.17 177.96 2jri h PRO 106 N 8.27 0.00 0.00 4.34 0.13 -1.98 -2.42 132.00 140.34 2jri h PRO 106 Ca -0.23 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.89 2jri h PRO 106 Cb 1.08 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2jri h PRO 106 CO 0.96 0.04 -0.07 0.82 -0.23 0.00 0.00 178.00 179.52 2jri h ILE 107 N 0.00 0.15 -0.40 -3.56 2.04 -1.92 -2.64 117.51 111.18 2jri h ILE 107 Ca -0.00 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.92 2jri h ILE 107 Cb 0.40 1.82 0.00 0.00 -0.74 0.00 0.00 36.82 38.30 2jri h ILE 107 CO 0.01 0.07 0.00 -3.20 0.00 0.00 0.00 178.15 175.03 2jri n ASN 108 N -3.15 3.06 -2.89 1.72 5.15 -0.91 -4.94 115.26 113.29 2jri n ASN 108 Ca 0.02 -1.94 -0.14 0.00 -0.60 0.00 0.00 54.58 51.92 2jri n ASN 108 Cb 0.45 -0.26 0.10 0.00 -0.53 0.00 0.00 39.78 39.53 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 1.21 -0.62 0.00 1.20 -0.58 -1.00 -5.05 120.64 115.80 2jri n GLU 109 Ca 0.19 -0.96 0.00 0.00 -0.42 0.00 0.00 57.16 55.97 2jri n GLU 109 Cb 0.53 -0.64 0.00 0.00 -0.57 0.00 0.00 31.44 30.75 2jri n GLU 109 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 2jri n ARG 110 N -2.33 1.45 -3.76 3.49 0.00 -1.26 -4.86 116.66 109.39 2jri n ARG 110 Ca 0.08 0.00 -0.09 0.00 -0.00 0.00 0.00 57.85 57.84 2jri n ARG 110 Cb 0.27 -0.86 -0.03 0.00 -0.00 0.00 0.00 32.46 31.84 2jri n ARG 110 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2jri s SER 111 N -3.09 -0.27 -0.13 2.89 0.01 -1.26 -2.02 113.70 109.84 2jri s SER 111 Ca 0.00 -0.51 -0.34 0.00 1.31 0.00 0.00 55.95 56.41 2jri s SER 111 Cb 0.00 0.62 0.15 0.00 0.21 0.00 0.00 66.02 67.00 2jri s SER 111 CO 0.00 -1.13 1.43 0.72 0.41 0.00 0.00 173.24 174.67 2jri s PHE 112 N -3.89 -0.01 -0.22 2.43 -0.12 -1.20 -1.94 117.98 113.04 2jri s PHE 112 Ca 0.10 -0.00 -0.04 0.00 -0.05 0.00 0.00 56.93 56.93 2jri s PHE 112 Cb -0.02 0.50 0.11 0.00 -0.63 0.00 0.00 43.02 42.98 2jri s PHE 112 CO -0.00 -0.02 0.39 0.96 -0.05 0.00 0.00 175.22 176.49 2jri s ILE 113 N -2.04 -0.61 -0.08 -4.49 -4.36 0.10 -3.26 121.20 106.46 2jri s ILE 113 Ca 0.14 0.05 -0.01 0.00 -0.26 0.00 0.00 60.65 60.57 2jri s ILE 113 Cb 0.06 -0.73 -0.03 0.00 1.25 0.00 0.00 42.46 43.01 2jri s ILE 113 CO -0.06 -0.03 -0.02 0.00 0.24 0.00 0.00 174.94 175.07 2jri s ASN 115 N -0.85 2.67 -0.45 0.00 2.20 -1.07 0.23 114.94 117.66 2jri s ASN 115 Ca 0.13 -0.70 0.07 0.00 -0.94 0.00 0.00 52.86 51.42 2jri s ASN 115 Cb -0.11 -0.15 0.40 0.00 -2.00 0.00 0.00 41.25 39.39 2jri s ASN 115 CO 0.02 0.08 1.03 0.00 -2.94 0.00 0.00 177.10 175.29 2jri n TYR 116 N 1.04 3.11 0.00 1.54 9.36 0.55 -1.56 117.16 131.21 2jri n TYR 116 Ca -0.19 -3.32 0.00 0.00 3.32 0.00 0.00 57.90 57.71 2jri n TYR 116 Cb 0.53 -0.23 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 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 -0.33 0.00 -0.08 2.98 3.00 -1.26 -4.07 118.16 118.39 2jri n LYS 117 Ca 0.33 0.00 -0.17 0.00 -0.00 0.00 0.00 58.31 58.47 2jri n LYS 117 Cb 0.62 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 35.59 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 0.38 -3.95 1.64 0.00 -1.26 -5.03 120.64 112.42 2jri n GLU 118 Ca 0.00 0.16 -0.30 0.00 0.00 0.00 0.00 57.16 57.02 2jri n GLU 118 Cb 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 31.44 30.25 2jri n GLU 118 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jri s HIS 119 N -2.40 3.46 0.37 4.31 3.76 -1.26 -5.11 115.29 118.41 2jri s HIS 119 Ca -0.24 0.20 0.08 0.00 -0.15 0.00 0.00 55.06 54.95 2jri s HIS 119 Cb 0.08 -1.72 -0.06 0.00 1.11 0.00 0.00 32.58 31.99 2jri s HIS 119 CO 0.32 0.57 0.00 -1.58 -0.85 0.00 0.00 174.74 173.20 2jri s TRP 120 N -1.53 2.51 -0.34 1.40 0.52 -1.26 -0.33 118.94 119.90 2jri s TRP 120 Ca 0.34 -0.53 0.00 0.00 0.02 0.00 0.00 56.10 55.94 2jri s TRP 120 Cb -0.12 -1.59 0.11 0.00 -1.15 0.00 0.00 33.47 30.71 2jri s TRP 120 CO 0.27 0.46 0.11 -0.06 0.02 0.00 0.00 176.95 177.76 2jri s PHE 121 N -2.60 2.09 -1.32 -1.98 0.08 0.14 -4.81 117.98 109.58 2jri s PHE 121 Ca 0.35 -2.06 -0.14 0.00 0.12 0.00 0.00 56.93 55.20 2jri s PHE 121 Cb 0.03 -1.95 0.11 0.00 -0.57 0.00 0.00 43.02 40.65 2jri s PHE 121 CO 0.19 -0.87 1.83 0.25 -0.10 0.00 0.00 175.22 176.52 2jri n THR 122 N 4.53 3.99 -2.83 0.64 -2.24 -1.19 -3.01 114.28 114.17 2jri n THR 122 Ca 0.01 -4.03 -0.42 0.00 -2.27 0.00 0.00 64.05 57.33 2jri n THR 122 Cb 0.41 -2.45 -0.04 0.00 -2.10 0.00 0.00 70.33 66.15 2jri n THR 122 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2jri s VAL 123 N 2.40 4.67 -0.01 2.28 1.01 -1.20 -2.39 120.40 127.16 2jri s VAL 123 Ca 0.46 1.31 0.03 0.00 0.00 0.00 0.00 61.98 63.78 2jri s VAL 123 Cb 0.06 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.15 2jri s VAL 123 CO -0.00 -0.39 -0.08 -0.60 0.00 0.00 0.00 175.10 174.02 2jri s ARG 124 N 3.27 2.54 -0.14 2.72 6.06 -1.26 -3.28 118.95 128.86 2jri s ARG 124 Ca 0.37 -0.71 -0.24 0.00 -2.50 0.00 0.00 55.73 52.65 2jri s ARG 124 Cb -0.13 -2.48 -0.03 0.00 0.06 0.00 0.00 34.95 32.38 2jri s ARG 124 CO 0.15 0.61 0.74 0.21 -2.50 0.00 0.00 175.30 174.51 2jri s LYS 125 N -1.26 4.33 -0.11 5.12 2.36 -0.85 -1.92 119.74 127.41 2jri s LYS 125 Ca 0.16 0.88 0.01 0.00 -2.55 0.00 0.00 55.97 54.47 2jri s LYS 125 Cb -0.11 -3.53 0.02 0.00 -1.05 0.00 0.00 37.83 33.16 2jri s LYS 125 CO 0.06 -0.16 -0.14 -0.51 1.55 0.00 0.00 175.35 176.15 2jri s LEU 126 N 1.57 1.67 0.00 5.43 1.02 0.13 -4.85 118.68 123.65 2jri s LEU 126 Ca 0.36 -0.42 0.00 0.00 0.02 0.00 0.00 54.13 54.09 2jri s LEU 126 Cb -0.17 -1.07 0.00 0.00 0.02 0.00 0.00 46.19 44.97 2jri s LEU 126 CO 0.14 -0.01 0.00 0.61 0.02 0.00 0.00 176.35 177.11 2jri n GLY 127 N 4.36 0.79 0.00 -3.19 0.00 -0.99 -1.78 105.19 104.38 2jri n GLY 127 Ca -0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2jri n GLY 127 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2jri n LYS 128 N 0.00 0.00 -2.53 1.61 0.00 -1.26 -4.81 118.16 111.16 2jri n LYS 128 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 58.31 58.06 2jri n LYS 128 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.06 2jri n LYS 128 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.40 176.75 2jri s GLN 129 N 0.00 2.75 0.07 1.64 1.11 -0.73 -4.94 119.66 119.55 2jri s GLN 129 Ca 0.00 -0.29 0.07 0.00 0.01 0.00 0.00 55.36 55.14 2jri s GLN 129 Cb 0.00 -2.35 -0.04 0.00 -1.01 0.00 0.00 33.01 29.61 2jri s GLN 129 CO 0.00 -0.71 -0.13 -1.58 0.01 0.00 0.00 175.29 172.88 2jri s TRP 130 N -2.90 2.68 -0.47 0.91 0.52 -1.13 0.18 118.94 118.73 2jri s TRP 130 Ca 0.54 -0.18 0.06 0.00 0.02 0.00 0.00 56.10 56.54 2jri s TRP 130 Cb -0.10 -1.46 0.21 0.00 -1.15 0.00 0.00 33.47 30.96 2jri s TRP 130 CO 0.42 0.36 0.48 1.19 0.02 0.00 0.00 176.95 179.42 2jri n PHE 131 N 1.14 0.39 -1.47 -1.98 3.72 -0.81 -0.48 117.46 117.96 2jri n PHE 131 Ca -0.15 -3.63 -0.58 0.00 -0.05 0.00 0.00 57.45 53.04 2jri n PHE 131 Cb 0.52 -0.17 -0.08 0.00 -0.94 0.00 0.00 39.48 38.81 2jri n PHE 131 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2jri n ASN 132 N 1.96 0.07 -3.98 4.37 5.15 -1.25 -4.30 115.26 117.28 2jri n ASN 132 Ca 0.25 1.13 -0.26 0.00 -0.60 0.00 0.00 54.58 55.10 2jri n ASN 132 Cb 0.47 -0.89 -0.17 0.00 -0.53 0.00 0.00 39.78 38.66 2jri n ASN 132 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2jri s LEU 133 N 0.20 1.49 -0.09 1.20 1.43 -1.00 -3.39 118.68 118.51 2jri s LEU 133 Ca 0.89 -0.33 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2jri s LEU 133 Cb -1.25 -0.88 0.09 0.00 0.03 0.00 0.00 46.19 44.18 2jri s LEU 133 CO 0.57 -0.03 0.80 0.21 0.23 0.00 0.00 176.35 178.13 2jri s ASN 134 N 1.13 -0.54 -1.00 2.29 2.47 -1.26 -3.20 114.94 114.83 2jri s ASN 134 Ca -0.05 0.57 -0.24 0.00 0.42 0.00 0.00 52.86 53.56 2jri s ASN 134 Cb -0.14 0.45 -0.06 0.00 -1.45 0.00 0.00 41.25 40.05 2jri s ASN 134 CO -0.02 -0.51 1.93 -0.44 -3.72 0.00 0.00 177.10 174.33 2jri s SER 135 N -1.21 5.15 0.04 -4.21 0.01 -1.26 -2.92 113.70 109.30 2jri s SER 135 Ca -0.07 -1.05 0.00 0.00 1.31 0.00 0.00 55.95 56.14 2jri s SER 135 Cb -0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2jri s SER 135 CO 0.06 -2.81 0.00 -0.11 0.41 0.00 0.00 173.24 170.79 2jri n LEU 136 N 13.94 -0.36 -4.76 2.44 7.94 -1.26 -5.13 117.00 129.82 2jri n LEU 136 Ca 0.42 0.26 -0.40 0.00 -1.11 0.00 0.00 56.01 55.18 2jri n LEU 136 Cb 0.47 0.56 -0.04 0.00 0.53 0.00 0.00 43.42 44.94 2jri n LEU 136 CO 0.63 -0.02 0.81 -1.48 -1.11 0.00 0.00 177.39 176.22 2jri s LEU 137 N -5.08 4.53 -0.17 -1.96 0.05 -1.15 -4.94 118.68 109.96 2jri s LEU 137 Ca 0.00 2.32 0.13 0.00 0.05 0.00 0.00 54.13 56.63 2jri s LEU 137 Cb 0.00 -3.64 0.69 0.00 -2.05 0.00 0.00 46.19 41.19 2jri s LEU 137 CO 0.00 -0.20 1.57 1.07 -0.55 0.00 0.00 176.35 178.24 2jri n THR 138 N 1.11 2.16 -3.63 5.48 5.66 -1.26 -4.87 114.28 118.93 2jri n THR 138 Ca -0.01 -1.16 -0.04 0.00 -3.05 0.00 0.00 64.05 59.79 2jri n THR 138 Cb 0.44 -0.20 -0.06 0.00 -1.55 0.00 0.00 70.33 68.97 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 -0.72 0.10 0.03 1.09 0.00 -1.26 -5.13 107.32 101.42 2jri s GLY 139 Ca 0.47 2.92 -0.34 0.00 0.00 0.00 0.00 44.72 47.77 2jri s GLY 139 CO 0.16 1.46 1.74 -1.05 0.00 0.00 0.00 173.10 175.41 2jri n PRO 140 N 1.11 2.18 -2.53 2.90 -0.02 -1.26 -4.87 135.00 132.51 2jri n PRO 140 Ca -0.07 0.79 -0.42 0.00 -2.02 0.00 0.00 63.50 61.79 2jri n PRO 140 Cb 0.58 -2.61 -0.01 0.00 -0.02 0.00 0.00 33.50 31.44 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 2.58 3.84 -0.49 -0.52 2.02 -1.22 -4.93 118.70 119.97 2jri s GLU 141 Ca 0.86 -1.88 -0.35 0.00 0.02 0.00 0.00 54.97 53.62 2jri s GLU 141 Cb -0.68 -5.50 -0.14 0.00 0.10 0.00 0.00 34.13 27.91 2jri s GLU 141 CO 0.45 -2.41 2.29 -0.11 0.02 0.00 0.00 175.26 175.50 2jri n LEU 142 N 8.96 1.64 -4.46 1.80 7.94 -1.26 -3.78 117.00 127.84 2jri n LEU 142 Ca 0.48 0.31 -0.37 0.00 -1.11 0.00 0.00 56.01 55.32 2jri n LEU 142 Cb 0.46 -1.19 -0.12 0.00 0.53 0.00 0.00 43.42 43.11 2jri n LEU 142 CO 0.76 -0.83 -0.24 -0.63 -1.11 0.00 0.00 177.39 175.34 2jri s ILE 143 N 7.92 4.57 0.86 1.96 1.01 0.37 -4.99 121.20 132.90 2jri s ILE 143 Ca 1.14 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 61.45 2jri s ILE 143 Cb -0.95 -3.22 0.11 0.00 0.01 0.00 0.00 42.46 38.41 2jri s ILE 143 CO 0.49 0.22 1.16 -0.44 0.00 0.00 0.00 174.94 176.37 2jri s SER 144 N 1.64 4.02 0.06 3.58 0.01 -1.26 -2.83 113.70 118.92 2jri s SER 144 Ca 0.06 0.86 -0.25 0.00 1.31 0.00 0.00 55.95 57.93 2jri s SER 144 Cb -0.16 -1.38 -0.12 0.00 0.21 0.00 0.00 66.02 64.57 2jri s SER 144 CO 0.06 -2.22 1.39 0.44 0.41 0.00 0.00 173.24 173.32 2jri h ASP 145 N -1.27 -1.01 -0.68 2.44 5.19 -1.99 0.11 116.42 119.21 2jri h ASP 145 Ca -0.48 0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 2jri h ASP 145 Cb 1.33 0.34 -0.03 0.00 0.18 0.00 0.00 39.33 41.15 2jri h ASP 145 CO 0.64 -0.46 0.40 0.74 -3.12 0.00 0.00 179.24 177.44 2jri h THR 146 N -0.69 1.20 -0.28 0.35 2.02 -2.01 -2.09 112.91 111.41 2jri h THR 146 Ca -0.04 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 66.60 2jri h THR 146 Cb 0.61 0.24 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2jri h THR 146 CO -0.07 0.22 -0.12 0.22 0.37 0.00 0.00 175.52 176.13 2jri h TYR 147 N 0.96 0.51 -0.52 3.16 3.20 -1.88 -2.56 116.97 119.84 2jri h TYR 147 Ca 0.25 -0.08 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 2jri h TYR 147 Cb -0.01 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.10 2jri h TYR 147 CO 0.00 0.59 0.26 1.25 -1.64 0.00 0.00 178.16 178.63 2jri h LEU 148 N 0.44 0.68 -0.93 2.82 5.85 -0.07 0.61 115.31 124.71 2jri h LEU 148 Ca 0.08 -0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2jri h LEU 148 Cb 0.48 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2jri h LEU 148 CO 0.03 0.60 0.42 0.00 -0.34 0.00 0.00 178.44 179.15 2jri h ALA 149 N 1.10 1.17 -0.27 1.25 0.00 -1.38 0.23 119.26 121.36 2jri h ALA 149 Ca 0.18 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.84 2jri h ALA 149 Cb 0.09 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.55 2jri h ALA 149 CO -0.03 0.64 -0.25 1.25 0.00 0.00 0.00 179.25 180.87 2jri h LEU 150 N 1.18 0.69 -0.25 0.00 5.85 -1.02 -2.39 115.31 119.36 2jri h LEU 150 Ca 0.29 -0.47 0.01 0.00 0.84 0.00 0.00 57.88 58.55 2jri h LEU 150 Cb 0.09 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2jri h LEU 150 CO -0.04 1.01 0.15 0.15 -0.34 0.00 0.00 178.44 179.38 2jri h PHE 151 N 0.37 0.29 -0.83 1.25 3.57 0.68 0.19 116.94 122.46 2jri h PHE 151 Ca 0.04 0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2jri h PHE 151 Cb 0.81 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 39.41 2jri h PHE 151 CO 0.07 0.18 0.53 -0.07 -2.23 0.00 0.00 178.31 176.79 2jri h LEU 152 N 0.32 0.87 -0.38 0.59 -0.00 -0.54 -0.95 115.31 115.22 2jri h LEU 152 Ca 0.09 -0.00 -0.10 0.00 -0.00 0.00 0.00 57.88 57.87 2jri h LEU 152 Cb -0.02 -0.19 -0.01 0.00 -0.00 0.00 0.00 40.66 40.44 2jri h LEU 152 CO -0.03 0.59 -0.16 0.00 -0.00 0.00 0.00 178.44 178.83 2jri h ALA 153 N 1.35 0.53 -1.00 1.53 0.00 -0.96 -3.04 119.26 117.67 2jri h ALA 153 Ca 0.34 -0.35 0.04 0.00 0.00 0.00 0.00 54.91 54.93 2jri h ALA 153 Cb 0.04 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 2jri h ALA 153 CO -0.12 0.45 0.66 1.96 0.00 0.00 0.00 179.25 182.19 2jri h GLN 154 N 0.57 1.23 -0.76 0.00 1.08 -0.00 -1.54 115.11 115.69 2jri h GLN 154 Ca 0.09 -0.07 0.03 0.00 -1.45 0.00 0.00 58.65 57.25 2jri h GLN 154 Cb 0.71 -0.28 -0.05 0.00 -0.05 0.00 0.00 27.48 27.81 2jri h GLN 154 CO 0.05 0.82 0.48 -0.07 -0.95 0.00 0.00 178.83 179.16 2jri h LEU 155 N 1.27 0.78 -0.44 1.46 3.38 -1.09 0.39 115.31 121.06 2jri h LEU 155 Ca 0.40 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 2jri h LEU 155 Cb -0.00 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2jri h LEU 155 CO -0.12 0.54 -0.07 1.56 0.09 0.00 0.00 178.44 180.43 2jri h GLN 156 N 0.93 0.83 -0.26 1.13 4.20 -1.27 0.29 115.11 120.97 2jri h GLN 156 Ca 0.31 -0.30 -0.19 0.00 0.06 0.00 0.00 58.65 58.52 2jri h GLN 156 Cb 0.03 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2jri h GLN 156 CO -0.12 0.93 -0.59 1.96 -0.67 0.00 0.00 178.83 180.34 2jri h GLN 157 N 0.67 0.83 -0.13 1.46 4.20 -0.84 -3.28 115.11 118.02 2jri h GLN 157 Ca 0.12 -0.55 -0.02 0.00 0.06 0.00 0.00 58.65 58.25 2jri h GLN 157 Cb 0.60 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.45 2jri h GLN 157 CO 0.04 1.18 -0.01 1.49 -0.67 0.00 0.00 178.83 180.86 2jri h GLU 158 N 0.63 0.23 0.00 1.46 4.57 -0.22 -3.48 114.58 117.77 2jri h GLU 158 Ca 0.00 -0.08 0.00 0.00 -1.18 0.00 0.00 59.36 58.10 2jri h GLU 158 Cb 1.19 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.77 2jri h GLU 158 CO 0.13 0.49 0.00 0.41 -1.18 0.00 0.00 179.01 178.85 2jri n GLY 159 N -0.24 0.74 0.00 1.92 0.00 -0.62 -5.09 105.19 101.90 2jri n GLY 159 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.91 -3.31 1.61 4.02 -0.01 -4.81 117.16 112.75 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 -0.08 0.00 -0.02 0.00 0.00 39.34 39.24 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 1.09 -0.40 7.72 0.01 -0.60 -4.89 113.70 115.63 2jri s SER 161 Ca 0.00 -2.02 -0.29 0.00 1.31 0.00 0.00 55.95 54.95 2jri s SER 161 Cb 0.00 0.39 0.01 0.00 0.21 0.00 0.00 66.02 66.63 2jri s SER 161 CO 0.00 -0.22 1.46 -0.63 0.41 0.00 0.00 173.24 174.26 2jri s ILE 162 N 0.99 3.85 -0.50 1.44 1.01 -1.26 -2.61 121.20 124.13 2jri s ILE 162 Ca 0.22 0.87 -0.12 0.00 0.00 0.00 0.00 60.65 61.62 2jri s ILE 162 Cb -0.10 -4.14 0.12 0.00 0.01 0.00 0.00 42.46 38.35 2jri s ILE 162 CO -0.06 -0.72 0.41 -0.36 0.00 0.00 0.00 174.94 174.21 2jri s PHE 163 N 5.60 3.34 0.26 3.97 0.08 0.95 -0.54 117.98 131.65 2jri s PHE 163 Ca 0.63 -1.59 -0.27 0.00 0.12 0.00 0.00 56.93 55.83 2jri s PHE 163 Cb -0.15 -3.61 -0.09 0.00 -0.57 0.00 0.00 43.02 38.61 2jri s PHE 163 CO 0.33 -1.00 0.90 0.54 -0.10 0.00 0.00 175.22 175.89 2jri s VAL 164 N 1.47 4.22 -0.31 -0.44 0.11 0.10 0.02 120.40 125.57 2jri s VAL 164 Ca 0.04 1.84 -0.07 0.00 -2.93 0.00 0.00 61.98 60.86 2jri s VAL 164 Cb -0.28 -4.12 0.01 0.00 -1.53 0.00 0.00 36.38 30.46 2jri s VAL 164 CO 0.01 0.32 0.10 -0.69 -3.33 0.00 0.00 175.10 171.51 2jri s VAL 165 N -1.40 4.09 0.07 2.04 1.01 -0.82 -0.46 120.40 124.94 2jri s VAL 165 Ca 0.44 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 2jri s VAL 165 Cb -0.21 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 2jri s VAL 165 CO 0.27 0.03 0.23 -0.54 0.00 0.00 0.00 175.10 175.09 2jri s LYS 166 N 1.51 3.46 0.00 2.72 -0.14 0.96 -4.12 119.74 124.14 2jri s LYS 166 Ca 0.02 -0.39 0.00 0.00 -1.36 0.00 0.00 55.97 54.24 2jri s LYS 166 Cb -0.17 -3.01 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 2jri s LYS 166 CO 0.03 0.59 0.00 0.41 -0.76 0.00 0.00 175.35 175.62 2jri n GLY 167 N 0.26 1.08 3.49 -3.33 0.00 -1.26 -1.31 105.19 104.12 2jri n GLY 167 Ca -0.05 -2.27 -0.43 0.00 0.00 0.00 0.00 46.02 43.28 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 0.00 6.27 0.12 1.61 1.11 -1.26 -4.94 116.67 119.58 2jri s ASP 168 Ca 0.00 -0.63 -0.10 0.00 0.18 0.00 0.00 52.55 52.00 2jri s ASP 168 Cb 0.00 -2.41 -0.06 0.00 1.07 0.00 0.00 42.92 41.52 2jri s ASP 168 CO 0.00 -1.24 0.44 -0.76 1.18 0.00 0.00 175.17 174.79 2jri s LEU 169 N 3.78 4.31 0.22 1.23 1.02 -1.26 -4.98 118.68 123.00 2jri s LEU 169 Ca 0.26 0.82 -0.32 0.00 0.02 0.00 0.00 54.13 54.91 2jri s LEU 169 Cb -0.15 -3.17 -0.12 0.00 0.02 0.00 0.00 46.19 42.77 2jri s LEU 169 CO 0.15 0.11 1.70 -2.16 0.02 0.00 0.00 176.35 176.17 2jri s PRO 170 N -2.16 4.12 0.65 1.29 0.04 -1.26 -5.01 135.00 132.67 2jri s PRO 170 Ca 0.37 2.60 -0.02 0.00 0.04 0.00 0.00 61.00 63.99 2jri s PRO 170 Cb -0.13 -3.07 0.13 0.00 0.04 0.00 0.00 34.50 31.47 2jri s PRO 170 CO 0.20 -0.73 0.89 -0.40 0.04 0.00 0.00 177.00 176.99 2jri n ASP 171 N 3.74 0.98 -4.14 6.66 5.75 -1.26 -4.73 116.55 123.55 2jri n ASP 171 Ca 0.15 -1.88 -0.14 0.00 -0.01 0.00 0.00 54.79 52.91 2jri n ASP 171 Cb 0.36 -0.59 -0.10 0.00 -1.03 0.00 0.00 41.12 39.75 2jri n ASP 171 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jri h GLU 173 N 2.50 0.99 0.23 0.00 4.57 -1.91 -2.72 114.58 118.23 2jri h GLU 173 Ca -0.35 -0.06 -0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2jri h GLU 173 Cb 1.25 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.60 2jri h GLU 173 CO 0.53 0.65 -0.20 0.00 -1.18 0.00 0.00 179.01 178.82 2jri h ALA 174 N 1.51 -0.42 -0.57 2.92 0.00 -1.97 -1.98 119.26 118.75 2jri h ALA 174 Ca 0.41 -0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.35 2jri h ALA 174 Cb 0.25 0.27 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 2jri h ALA 174 CO -0.16 -0.76 0.12 0.22 0.00 0.00 0.00 179.25 178.67 2jri h ASP 175 N -0.44 0.00 -0.26 0.00 3.58 -1.83 0.97 116.42 118.45 2jri h ASP 175 Ca -0.01 0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.53 2jri h ASP 175 Cb 0.40 0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2jri h ASP 175 CO -0.02 0.02 0.12 1.56 -2.88 0.00 0.00 179.24 178.03 2jri h GLN 176 N 0.25 0.43 -0.15 0.28 4.20 -1.31 -2.08 115.11 116.74 2jri h GLN 176 Ca 0.30 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.96 2jri h GLN 176 Cb 0.42 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.12 2jri h GLN 176 CO -0.38 0.36 0.00 1.47 -0.67 0.00 0.00 178.83 179.61 2jri n LEU 177 N -4.41 2.61 -1.62 1.46 -0.00 -0.48 -4.18 117.00 110.38 2jri n LEU 177 Ca 0.01 -0.98 -0.07 0.00 -0.00 0.00 0.00 56.01 54.97 2jri n LEU 177 Cb 0.13 -0.09 0.17 0.00 -0.00 0.00 0.00 43.42 43.64 2jri n LEU 177 CO 0.36 0.49 0.86 -0.11 -0.00 0.00 0.00 177.39 178.99 2jri n LEU 178 N 0.99 4.84 0.04 1.47 -0.00 0.21 -3.99 117.00 120.55 2jri n LEU 178 Ca 0.17 -2.52 0.09 0.00 -0.00 0.00 0.00 56.01 53.75 2jri n LEU 178 Cb 0.51 -0.68 -0.09 0.00 -0.00 0.00 0.00 43.42 43.16 2jri n LEU 178 CO 0.15 0.71 -0.41 0.00 -0.00 0.00 0.00 177.39 177.83 2jri n GLN 179 N -0.17 0.64 -0.81 1.96 1.13 -1.26 -4.06 117.38 114.80 2jri n GLN 179 Ca 0.30 -0.01 -0.01 0.00 -1.94 0.00 0.00 57.00 55.34 2jri n GLN 179 Cb 1.09 -1.68 0.19 0.00 0.11 0.00 0.00 30.24 29.95 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 -2.53 1.86 -3.96 -1.09 0.00 -1.26 -5.00 117.12 105.14 2jri n MET 180 Ca -0.05 -3.34 -0.35 0.00 0.00 0.00 0.00 57.70 53.96 2jri n MET 180 Cb 0.63 -1.76 -0.09 0.00 0.00 0.00 0.00 33.22 32.00 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 -3.39 4.89 0.00 3.17 -1.09 -1.26 -5.11 121.20 118.42 2jri s ILE 181 Ca 0.42 0.00 0.00 0.00 -2.23 0.00 0.00 60.65 58.84 2jri s ILE 181 Cb 0.39 -3.21 0.00 0.00 -1.58 0.00 0.00 42.46 38.06 2jri s ILE 181 CO -0.04 0.46 0.00 -1.14 -1.23 0.00 0.00 174.94 173.00