#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1frw h LEU 3 N 0.00 0.32 -1.46 3.41 3.38 -1.98 -1.60 115.31 117.38 1frw h LEU 3 Ca 0.00 0.05 0.20 0.00 0.09 0.00 0.00 57.88 58.22 1frw h LEU 3 Cb 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.67 1frw h LEU 3 CO 0.00 0.09 0.60 -0.03 0.09 0.00 0.00 178.44 179.19 1frw h MET 4 N 0.30 0.43 -0.45 1.13 4.05 -1.93 -1.21 114.93 117.25 1frw h MET 4 Ca 0.53 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.93 1frw h MET 4 Cb 1.52 -0.10 0.00 0.00 -0.80 0.00 0.00 31.60 32.22 1frw h MET 4 CO -0.19 0.28 0.00 0.25 0.23 0.00 0.00 176.91 177.48 1frw n THR 5 N -4.53 0.66 0.02 -0.77 -2.24 -0.61 -0.55 114.28 106.26 1frw n THR 5 Ca 0.20 -0.83 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 1frw n THR 5 Cb 0.69 0.82 -0.00 0.00 -2.10 0.00 0.00 70.33 69.74 1frw n THR 5 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1frw n THR 6 N 1.37 0.00 -5.08 4.28 -2.24 -0.47 -4.99 114.28 107.15 1frw n THR 6 Ca 0.19 -0.49 -0.30 0.00 -2.27 0.00 0.00 64.05 61.17 1frw n THR 6 Cb 0.57 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.64 1frw n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1frw s ILE 7 N -0.68 1.85 -0.12 2.28 1.01 -1.13 -4.18 121.20 120.24 1frw s ILE 7 Ca 0.00 -0.91 -0.21 0.00 0.00 0.00 0.00 60.65 59.54 1frw s ILE 7 Cb 0.00 -1.61 -0.04 0.00 0.01 0.00 0.00 42.46 40.83 1frw s ILE 7 CO 0.01 0.51 0.59 -0.89 0.00 0.00 0.00 174.94 175.17 1frw s THR 8 N 0.34 5.10 0.22 2.92 2.01 -0.16 -4.63 115.64 121.44 1frw s THR 8 Ca -0.16 1.18 -0.18 0.00 0.31 0.00 0.00 61.69 62.84 1frw s THR 8 Cb -0.17 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 1frw s THR 8 CO 0.07 0.25 0.69 -0.83 -0.69 0.00 0.00 174.62 174.11 1frw s GLY 9 N 0.82 2.56 -0.06 4.40 0.00 -0.33 -0.56 107.32 114.14 1frw s GLY 9 Ca 0.31 0.09 -0.01 0.00 0.00 0.00 0.00 44.72 45.11 1frw s GLY 9 CO 0.13 0.42 0.01 0.14 0.00 0.00 0.00 173.10 173.81 1frw s VAL 10 N -1.55 0.27 -0.23 1.40 1.01 0.26 -0.53 120.40 121.03 1frw s VAL 10 Ca 0.43 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 1frw s VAL 10 Cb -0.16 -0.45 -0.03 0.00 0.00 0.00 0.00 36.38 35.75 1frw s VAL 10 CO 0.20 0.24 0.57 -0.69 0.00 0.00 0.00 175.10 175.43 1frw s VAL 11 N 2.01 5.05 -0.53 2.92 1.01 -0.49 -1.17 120.40 129.20 1frw s VAL 11 Ca 0.05 1.03 -0.24 0.00 0.00 0.00 0.00 61.98 62.82 1frw s VAL 11 Cb -0.12 -3.88 0.04 0.00 0.00 0.00 0.00 36.38 32.41 1frw s VAL 11 CO -0.05 0.10 0.90 -0.76 0.00 0.00 0.00 175.10 175.30 1frw s LEU 12 N 2.10 4.16 -0.49 3.92 1.43 -0.01 -0.65 118.68 129.14 1frw s LEU 12 Ca 0.25 -0.30 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1frw s LEU 12 Cb -0.16 -2.86 0.27 0.00 0.03 0.00 0.00 46.19 43.47 1frw s LEU 12 CO 0.09 -1.15 0.67 0.00 0.23 0.00 0.00 176.35 176.19 1frw n ALA 13 N 7.27 3.19 -1.00 4.21 0.00 0.26 -1.90 120.51 132.54 1frw n ALA 13 Ca 0.02 -4.02 0.00 0.00 0.00 0.00 0.00 53.44 49.44 1frw n ALA 13 Cb 0.48 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1frw n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frw n GLY 14 N 0.89 -0.18 3.53 0.00 0.00 -1.25 -4.13 105.19 104.04 1frw n GLY 14 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 1frw n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1frw n GLY 15 N 1.33 -0.85 0.00 -0.02 0.00 -1.26 -3.68 105.19 100.71 1frw n GLY 15 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1frw n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1frw n LYS 16 N 0.53 0.00 -2.44 1.61 5.02 -1.26 -4.58 118.16 117.03 1frw n LYS 16 Ca 0.11 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 56.07 1frw n LYS 16 Cb 0.36 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 35.34 1frw n LYS 16 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1frw s VAL 23 N -0.32 4.15 -0.05 -0.18 -7.23 -1.26 -4.92 120.40 110.60 1frw s VAL 23 Ca 0.00 1.17 -0.38 0.00 -1.81 0.00 0.00 61.98 60.96 1frw s VAL 23 Cb 0.00 -3.55 -0.16 0.00 0.56 0.00 0.00 36.38 33.23 1frw s VAL 23 CO 0.00 -0.46 1.50 0.47 -0.31 0.00 0.00 175.10 176.30 1frw n ASP 24 N -1.33 1.96 0.26 4.85 9.92 -1.26 -4.78 116.55 126.17 1frw n ASP 24 Ca 0.08 1.10 0.12 0.00 -0.53 0.00 0.00 54.79 55.56 1frw n ASP 24 Cb 0.53 -1.18 0.72 0.00 -0.64 0.00 0.00 41.12 40.55 1frw n ASP 24 CO 0.00 0.00 0.00 0.07 0.13 0.00 0.00 177.20 177.40 1frw h LYS 25 N 5.60 0.00 0.00 -1.24 2.10 -1.99 -1.46 116.57 119.59 1frw h LYS 25 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1frw h LYS 25 Cb 1.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.66 1frw h LYS 25 CO 0.85 0.12 0.08 0.78 -2.00 0.00 0.00 179.45 179.28 1frw h GLY 26 N 0.76 0.00 1.77 0.07 0.00 -1.87 0.45 103.07 104.25 1frw h GLY 26 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1frw h GLY 26 CO 0.02 0.00 -0.16 1.04 0.00 0.00 0.00 176.54 177.44 1frw n LEU 27 N -2.25 0.60 -4.77 3.11 4.77 -0.55 -1.31 117.00 116.60 1frw n LEU 27 Ca -0.01 0.45 -0.40 0.00 -0.03 0.00 0.00 56.01 56.02 1frw n LEU 27 Cb 0.11 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 40.86 1frw n LEU 27 CO 0.09 -0.10 0.98 -0.76 -1.33 0.00 0.00 177.39 176.28 1frw s LEU 28 N -4.04 4.35 0.03 2.23 1.43 0.15 -4.63 118.68 118.21 1frw s LEU 28 Ca 0.11 2.70 -0.27 0.00 -1.03 0.00 0.00 54.13 55.64 1frw s LEU 28 Cb 0.14 -3.73 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 1frw s LEU 28 CO 0.61 -0.65 0.85 -1.61 0.23 0.00 0.00 176.35 175.78 1frw s GLU 29 N -1.95 4.55 -0.21 1.70 8.01 -1.26 -0.45 118.70 129.08 1frw s GLU 29 Ca 0.52 1.20 -0.01 0.00 0.01 0.00 0.00 54.97 56.69 1frw s GLU 29 Cb -0.40 -3.40 0.01 0.00 -4.31 0.00 0.00 34.13 26.03 1frw s GLU 29 CO 0.52 0.15 -0.12 -1.17 0.01 0.00 0.00 175.26 174.66 1frw s LEU 30 N 0.35 2.62 -1.44 1.80 2.96 0.80 -4.64 118.68 121.12 1frw s LEU 30 Ca 0.43 -0.64 -0.11 0.00 -0.22 0.00 0.00 54.13 53.59 1frw s LEU 30 Cb -0.21 -1.60 0.08 0.00 0.50 0.00 0.00 46.19 44.96 1frw s LEU 30 CO 0.25 -0.04 0.70 0.59 -1.32 0.00 0.00 176.35 176.53 1frw n ASN 31 N 4.68 -4.35 0.00 3.68 3.02 -1.26 -1.46 115.26 119.57 1frw n ASN 31 Ca -0.19 -0.56 0.00 0.00 -0.03 0.00 0.00 54.58 53.80 1frw n ASN 31 Cb 0.49 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 1frw n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1frw n GLY 32 N -1.41 0.80 3.02 7.41 0.00 -1.26 -5.02 105.19 108.74 1frw n GLY 32 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1frw n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1frw s LYS 33 N -0.25 1.71 0.28 1.61 2.20 -0.53 -5.02 119.74 119.74 1frw s LYS 33 Ca 0.00 -0.41 -0.29 0.00 -0.36 0.00 0.00 55.97 54.90 1frw s LYS 33 Cb 0.00 -1.43 -0.13 0.00 -1.51 0.00 0.00 37.83 34.76 1frw s LYS 33 CO 0.00 0.01 1.26 -2.30 -0.36 0.00 0.00 175.35 173.96 1frw n PRO 34 N 3.87 1.85 -0.27 4.03 -0.02 -1.26 -0.14 135.00 143.05 1frw n PRO 34 Ca -0.22 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 61.98 1frw n PRO 34 Cb 0.52 -2.21 0.19 0.00 -0.02 0.00 0.00 33.50 31.98 1frw n PRO 34 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1frw h LEU 35 N 3.07 -0.27 -1.67 2.45 3.38 -0.50 -1.09 115.31 120.68 1frw h LEU 35 Ca -0.44 0.20 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1frw h LEU 35 Cb 1.30 0.33 -0.01 0.00 0.09 0.00 0.00 40.66 42.37 1frw h LEU 35 CO 0.67 -0.18 -0.12 4.11 0.09 0.00 0.00 178.44 183.02 1frw h TRP 36 N 0.13 0.06 0.00 1.13 5.08 -1.17 -1.13 115.95 120.04 1frw h TRP 36 Ca 0.45 -0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.26 1frw h TRP 36 Cb 0.82 -0.02 -0.02 0.00 -3.00 0.00 0.00 29.16 26.94 1frw h TRP 36 CO -0.39 0.18 -0.72 0.37 -1.28 0.00 0.00 178.44 176.60 1frw h GLN 37 N 0.06 0.00 -0.26 0.12 5.75 -1.48 -0.91 115.11 118.38 1frw h GLN 37 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1frw h GLN 37 Cb 0.25 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.79 1frw h GLN 37 CO 0.02 0.72 0.16 0.45 -2.65 0.00 0.00 178.83 177.53 1frw h HIS 38 N 0.00 0.34 -0.30 3.99 3.86 -0.85 0.16 115.15 122.35 1frw h HIS 38 Ca -0.01 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.16 1frw h HIS 38 Cb 1.32 -0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.67 1frw h HIS 38 CO 0.00 0.24 0.03 0.28 0.86 0.00 0.00 177.93 179.34 1frw h VAL 39 N 0.34 1.24 -0.58 2.45 2.07 -1.10 -2.33 116.25 118.34 1frw h VAL 39 Ca 0.09 -0.87 0.01 0.00 0.82 0.00 0.00 66.70 66.75 1frw h VAL 39 Cb -0.01 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1frw h VAL 39 CO -0.02 0.28 0.38 0.00 0.02 0.00 0.00 177.57 178.23 1frw h ALA 40 N 0.86 0.73 -0.75 1.67 0.00 -1.03 -0.86 119.26 119.89 1frw h ALA 40 Ca 0.09 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1frw h ALA 40 Cb 0.39 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1frw h ALA 40 CO 0.01 0.17 0.23 -0.44 0.00 0.00 0.00 179.25 179.22 1frw h ASP 41 N 0.78 1.09 -0.51 0.00 3.32 -0.65 -0.11 116.42 120.34 1frw h ASP 41 Ca 0.21 -0.21 -0.04 0.00 0.02 0.00 0.00 57.03 57.01 1frw h ASP 41 Cb -0.09 -0.29 -0.02 0.00 0.22 0.00 0.00 39.33 39.16 1frw h ASP 41 CO -0.05 1.01 0.16 0.00 -1.72 0.00 0.00 179.24 178.64 1frw h ALA 42 N 1.13 0.67 -0.68 3.45 0.00 -0.94 -1.27 119.26 121.63 1frw h ALA 42 Ca 0.24 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 1frw h ALA 42 Cb 0.31 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1frw h ALA 42 CO -0.01 0.33 0.23 -0.07 0.00 0.00 0.00 179.25 179.74 1frw h LEU 43 N 0.70 0.97 -1.53 0.00 3.38 -0.84 -2.91 115.31 115.08 1frw h LEU 43 Ca 0.17 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1frw h LEU 43 Cb 0.28 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 1frw h LEU 43 CO -0.00 0.90 -0.04 0.24 0.09 0.00 0.00 178.44 179.62 1frw h MET 44 N 0.98 0.00 -0.07 1.13 2.86 -0.65 0.94 114.93 120.12 1frw h MET 44 Ca 0.22 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.72 1frw h MET 44 Cb 0.26 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.91 1frw h MET 44 CO -0.01 0.04 -0.57 1.15 1.06 0.00 0.00 176.91 178.58 1frw h THR 45 N 0.00 1.38 0.00 2.22 2.02 -1.04 -3.31 112.91 114.18 1frw h THR 45 Ca -0.00 -1.91 -0.12 0.00 0.77 0.00 0.00 66.41 65.15 1frw h THR 45 Cb 0.51 1.96 -0.02 0.00 -1.74 0.00 0.00 68.15 68.85 1frw h THR 45 CO 0.01 0.56 -1.68 0.00 0.37 0.00 0.00 175.52 174.78 1frw n GLN 46 N -3.89 0.64 -4.22 6.66 6.02 -0.66 -4.98 117.38 116.96 1frw n GLN 46 Ca -0.02 0.04 -0.18 0.00 -0.01 0.00 0.00 57.00 56.82 1frw n GLN 46 Cb 0.59 -1.68 -0.15 0.00 1.02 0.00 0.00 30.24 30.02 1frw n GLN 46 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1frw s LEU 47 N -5.27 1.69 0.10 1.08 1.43 0.24 -4.04 118.68 113.91 1frw s LEU 47 Ca -0.05 -0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 52.76 1frw s LEU 47 Cb 0.10 -0.40 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 1frw s LEU 47 CO 0.84 0.02 1.54 0.28 0.23 0.00 0.00 176.35 179.26 1frw h SER 48 N 6.54 0.58 -3.37 2.29 0.02 -1.09 -3.39 113.55 115.13 1frw h SER 48 Ca -0.34 -0.32 -0.67 0.00 -0.84 0.00 0.00 61.79 59.62 1frw h SER 48 Cb 1.17 -0.16 -0.32 0.00 0.14 0.00 0.00 62.40 63.23 1frw h SER 48 CO 0.49 0.76 -0.78 -2.28 -1.14 0.00 0.00 176.83 173.88 1frw s HIS 49 N -4.94 2.97 -0.03 3.45 5.65 -1.26 -5.05 115.29 116.07 1frw s HIS 49 Ca -0.13 -1.49 0.01 0.00 0.25 0.00 0.00 55.06 53.70 1frw s HIS 49 Cb 0.09 -2.02 0.02 0.00 -1.18 0.00 0.00 32.58 29.48 1frw s HIS 49 CO 0.77 -0.72 -0.04 0.08 -0.65 0.00 0.00 174.74 174.18 1frw s VAL 50 N 1.34 0.48 0.31 0.89 1.01 -1.26 -1.19 120.40 121.97 1frw s VAL 50 Ca 0.02 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 61.92 1frw s VAL 50 Cb -0.15 -0.49 -0.06 0.00 0.00 0.00 0.00 36.38 35.68 1frw s VAL 50 CO -0.07 0.19 0.01 0.68 0.00 0.00 0.00 175.10 175.91 1frw s VAL 51 N 0.66 1.41 -0.10 2.92 -7.23 0.31 -4.42 120.40 113.96 1frw s VAL 51 Ca -0.08 -2.05 0.04 0.00 -1.81 0.00 0.00 61.98 58.08 1frw s VAL 51 Cb -0.12 -2.65 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1frw s VAL 51 CO -0.00 -0.13 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.74 1frw s VAL 52 N -3.15 1.96 -0.42 1.32 1.01 -0.28 -1.39 120.40 119.45 1frw s VAL 52 Ca 0.33 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 1frw s VAL 52 Cb 0.07 -1.71 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1frw s VAL 52 CO 0.14 0.54 0.63 0.21 0.00 0.00 0.00 175.10 176.62 1frw s ASN 53 N 0.41 6.34 -0.01 3.32 3.04 0.18 0.03 114.94 128.24 1frw s ASN 53 Ca -0.18 -0.23 -0.05 0.00 0.04 0.00 0.00 52.86 52.44 1frw s ASN 53 Cb -0.18 -2.32 0.00 0.00 -1.54 0.00 0.00 41.25 37.22 1frw s ASN 53 CO 0.08 -0.72 0.11 0.00 -3.04 0.00 0.00 177.10 173.53 1frw s ALA 54 N 2.76 -0.27 0.00 1.71 0.00 -0.85 -0.58 121.76 124.54 1frw s ALA 54 Ca 0.22 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.18 1frw s ALA 54 Cb -0.14 -0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.97 1frw s ALA 54 CO 0.18 -0.15 0.58 0.09 0.00 0.00 0.00 175.76 176.46 1frw n ASN 55 N 2.05 1.02 -3.86 0.00 3.02 -1.24 -4.01 115.26 112.23 1frw n ASN 55 Ca -0.19 -1.32 -0.09 0.00 -0.03 0.00 0.00 54.58 52.95 1frw n ASN 55 Cb 0.57 0.00 -0.07 0.00 -0.61 0.00 0.00 39.78 39.67 1frw n ASN 55 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1frw s ARG 56 N -0.32 0.98 -1.33 3.52 1.70 -1.26 -4.91 118.95 117.33 1frw s ARG 56 Ca 0.00 -1.00 -0.05 0.00 -0.47 0.00 0.00 55.73 54.21 1frw s ARG 56 Cb 0.00 0.37 0.03 0.00 -0.57 0.00 0.00 34.95 34.78 1frw s ARG 56 CO 0.00 -0.34 0.35 0.72 -1.08 0.00 0.00 175.30 174.95 1frw n HIS 57 N -0.13 -1.68 -0.30 5.89 8.25 -1.26 -4.83 115.22 121.16 1frw n HIS 57 Ca -0.13 0.32 0.05 0.00 -0.26 0.00 0.00 57.72 57.71 1frw n HIS 57 Cb 0.63 -3.37 0.26 0.00 1.12 0.00 0.00 29.99 28.63 1frw n HIS 57 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1frw h GLN 58 N -0.74 0.95 -0.33 -0.41 7.50 -1.92 -0.95 115.11 119.21 1frw h GLN 58 Ca -0.42 -0.06 -0.02 0.00 0.50 0.00 0.00 58.65 58.65 1frw h GLN 58 Cb 1.29 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 28.59 1frw h GLN 58 CO 0.49 0.63 0.12 1.49 -1.50 0.00 0.00 178.83 180.06 1frw h GLU 59 N 0.98 0.46 -0.02 1.46 4.81 -1.98 -0.57 114.58 119.72 1frw h GLU 59 Ca 0.40 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.57 1frw h GLU 59 Cb 0.27 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 1frw h GLU 59 CO -0.16 0.40 -0.00 0.82 -0.73 0.00 0.00 179.01 179.33 1frw h ILE 60 N 0.46 1.29 -0.46 2.32 1.08 -1.55 -0.95 117.51 119.70 1frw h ILE 60 Ca 0.11 -0.86 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 1frw h ILE 60 Cb 0.12 1.83 -0.02 0.00 -3.07 0.00 0.00 36.82 35.68 1frw h ILE 60 CO -0.01 0.23 0.14 1.88 -0.69 0.00 0.00 178.15 179.70 1frw h TYR 61 N -0.32 0.74 -0.42 1.37 -1.99 -1.41 -2.74 116.97 112.20 1frw h TYR 61 Ca 0.00 -0.07 -0.02 0.00 2.00 0.00 0.00 58.73 60.64 1frw h TYR 61 Cb 0.37 -0.21 -0.02 0.00 2.00 0.00 0.00 36.73 38.87 1frw h TYR 61 CO 0.05 0.66 0.15 0.37 -0.00 0.00 0.00 178.16 179.39 1frw h GLN 62 N 0.60 0.59 0.00 4.88 4.15 -1.09 -2.80 115.11 121.44 1frw h GLN 62 Ca 0.15 -0.08 0.00 0.00 0.77 0.00 0.00 58.65 59.49 1frw h GLN 62 Cb 0.27 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.85 1frw h GLN 62 CO -0.00 0.50 0.00 0.00 -1.93 0.00 0.00 178.83 177.40 1frw h ALA 63 N 1.58 1.00 -0.02 3.38 0.00 -0.84 -0.63 119.26 123.74 1frw h ALA 63 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1frw h ALA 63 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1frw h ALA 63 CO -0.01 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.67 1frw n SER 64 N -2.70 0.37 0.00 0.00 7.64 -1.06 -4.88 113.62 112.99 1frw n SER 64 Ca -0.01 -1.27 0.00 0.00 1.01 0.00 0.00 58.87 58.61 1frw n SER 64 Cb 0.14 -0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1frw n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1frw n GLY 65 N 0.97 0.86 3.51 0.23 0.00 -0.25 -5.08 105.19 105.44 1frw n GLY 65 Ca 0.19 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 1frw n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1frw s LEU 66 N 0.00 2.99 0.21 0.99 1.43 -1.21 -5.08 118.68 118.00 1frw s LEU 66 Ca 0.00 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1frw s LEU 66 Cb 0.00 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.48 1frw s LEU 66 CO 0.00 0.31 1.31 -0.75 0.23 0.00 0.00 176.35 177.45 1frw s LYS 67 N -0.48 4.39 -0.19 1.70 2.20 -1.26 -4.04 119.74 122.06 1frw s LYS 67 Ca 0.07 2.07 -0.07 0.00 -0.36 0.00 0.00 55.97 57.67 1frw s LYS 67 Cb -0.12 -3.19 -0.04 0.00 -1.51 0.00 0.00 37.83 32.98 1frw s LYS 67 CO 0.02 -0.25 0.06 0.08 -0.36 0.00 0.00 175.35 174.90 1frw s VAL 68 N 0.04 4.70 -0.21 4.02 1.01 -1.26 -1.13 120.40 127.57 1frw s VAL 68 Ca 0.56 -0.06 -0.04 0.00 0.00 0.00 0.00 61.98 62.44 1frw s VAL 68 Cb -0.37 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 1frw s VAL 68 CO 0.39 0.45 -0.03 -0.63 0.00 0.00 0.00 175.10 175.28 1frw s ILE 69 N 0.48 3.61 0.28 2.22 1.01 0.10 -4.97 121.20 123.94 1frw s ILE 69 Ca 0.03 -0.42 -0.05 0.00 0.00 0.00 0.00 60.65 60.20 1frw s ILE 69 Cb -0.13 -2.64 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 1frw s ILE 69 CO 0.01 0.42 0.55 -1.61 0.00 0.00 0.00 174.94 174.31 1frw s GLU 70 N 1.25 3.64 0.63 2.79 2.02 -1.26 -2.00 118.70 125.79 1frw s GLU 70 Ca 0.03 0.02 -0.18 0.00 0.02 0.00 0.00 54.97 54.87 1frw s GLU 70 Cb -0.14 -2.65 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 1frw s GLU 70 CO -0.00 0.23 1.26 -0.51 0.02 0.00 0.00 175.26 176.26 1frw s ASP 71 N -3.08 4.78 0.87 -0.19 1.11 -1.26 -4.88 116.67 114.01 1frw s ASP 71 Ca 0.44 2.54 -0.14 0.00 0.18 0.00 0.00 52.55 55.57 1frw s ASP 71 Cb -0.11 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.27 1frw s ASP 71 CO 0.29 -1.88 0.37 -0.24 1.18 0.00 0.00 175.17 174.88 1frw n SER 72 N -1.83 -2.04 -0.09 0.27 2.88 -1.26 -4.86 113.62 106.69 1frw n SER 72 Ca 0.15 0.42 0.16 0.00 -1.33 0.00 0.00 58.87 58.26 1frw n SER 72 Cb 0.49 -1.18 0.87 0.00 -0.75 0.00 0.00 64.21 63.64 1frw n SER 72 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1frw n LEU 73 N -0.58 0.27 0.26 2.46 4.77 -1.26 -2.88 117.00 120.03 1frw n LEU 73 Ca 0.07 -0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1frw n LEU 73 Cb 0.52 -0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.32 1frw n LEU 73 CO 0.51 0.04 0.96 0.00 -1.33 0.00 0.00 177.39 177.58 1frw h ALA 74 N 4.05 1.29 -2.30 -1.18 0.00 -2.02 -3.46 119.26 115.64 1frw h ALA 74 Ca 0.00 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.64 1frw h ALA 74 Cb 0.09 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.89 1frw h ALA 74 CO 0.00 0.16 -0.24 -3.47 0.00 0.00 0.00 179.25 175.70 1frw n ASP 75 N -3.66 -3.43 -4.79 0.00 -0.08 -1.14 -5.01 116.55 98.45 1frw n ASP 75 Ca -0.02 -0.14 -0.32 0.00 -1.51 0.00 0.00 54.79 52.80 1frw n ASP 75 Cb 0.25 -2.22 0.05 0.00 2.34 0.00 0.00 41.12 41.53 1frw n ASP 75 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1frw s TYR 76 N -2.89 2.81 0.20 -0.67 4.12 -1.26 -5.02 117.35 114.63 1frw s TYR 76 Ca 0.15 1.52 -0.15 0.00 0.02 0.00 0.00 57.07 58.61 1frw s TYR 76 Cb -0.07 -3.04 -0.08 0.00 -1.52 0.00 0.00 41.96 37.26 1frw s TYR 76 CO 0.19 -1.47 0.62 -1.25 0.02 0.00 0.00 175.55 173.66 1frw s PRO 77 N -4.45 4.03 0.88 -1.71 0.04 -1.26 -4.76 135.00 127.77 1frw s PRO 77 Ca 0.63 0.58 0.00 0.00 0.04 0.00 0.00 61.00 62.25 1frw s PRO 77 Cb -0.17 -2.82 0.00 0.00 0.04 0.00 0.00 34.50 31.54 1frw s PRO 77 CO 0.46 0.40 0.00 0.41 0.04 0.00 0.00 177.00 178.31 1frw n GLY 78 N 0.53 -1.86 0.28 0.56 0.00 -1.26 -3.71 105.19 99.73 1frw n GLY 78 Ca -0.03 -1.32 0.07 0.00 0.00 0.00 0.00 46.02 44.74 1frw n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1frw h PRO 79 N 0.00 0.16 -0.33 1.61 0.13 -1.96 -1.20 132.00 130.41 1frw h PRO 79 Ca 0.00 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1frw h PRO 79 Cb 0.19 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.26 1frw h PRO 79 CO 0.00 0.11 0.09 -0.07 -0.23 0.00 0.00 178.00 177.90 1frw h LEU 80 N 0.17 0.43 -0.85 1.56 3.38 -1.88 -1.13 115.31 116.99 1frw h LEU 80 Ca 0.06 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1frw h LEU 80 Cb 0.02 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 1frw h LEU 80 CO -0.01 0.43 0.56 0.00 0.09 0.00 0.00 178.44 179.51 1frw h ALA 81 N 1.64 1.09 -0.24 1.53 0.00 -1.29 -0.28 119.26 121.70 1frw h ALA 81 Ca 0.11 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1frw h ALA 81 Cb 0.16 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 1frw h ALA 81 CO -0.01 0.48 -0.09 0.78 0.00 0.00 0.00 179.25 180.41 1frw h GLY 82 N 1.15 0.54 0.68 0.00 0.00 -1.31 -1.14 103.07 102.98 1frw h GLY 82 Ca 0.32 -0.47 0.05 0.00 0.00 0.00 0.00 47.33 47.23 1frw h GLY 82 CO -0.07 0.43 0.20 -0.33 0.00 0.00 0.00 176.54 176.77 1frw h MET 83 N 0.22 0.40 -0.55 4.80 2.07 -0.80 -0.68 114.93 120.40 1frw h MET 83 Ca 0.06 -0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.60 1frw h MET 83 Cb 0.58 -0.09 -0.02 0.00 -1.87 0.00 0.00 31.60 30.20 1frw h MET 83 CO 0.03 0.26 0.09 1.25 1.07 0.00 0.00 176.91 179.61 1frw h LEU 84 N 0.41 0.87 -0.98 1.22 5.85 -0.99 -1.59 115.31 120.09 1frw h LEU 84 Ca 0.21 -0.26 0.02 0.00 0.84 0.00 0.00 57.88 58.69 1frw h LEU 84 Cb 0.16 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.91 1frw h LEU 84 CO -0.18 0.91 0.65 0.28 -0.34 0.00 0.00 178.44 179.76 1frw h SER 85 N 0.79 1.11 -0.31 1.25 0.02 -0.88 0.14 113.55 115.68 1frw h SER 85 Ca 0.17 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 1frw h SER 85 Cb 0.41 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1frw h SER 85 CO 0.01 0.80 -0.19 0.58 -1.14 0.00 0.00 176.83 176.89 1frw h VAL 86 N 1.31 1.29 -0.16 2.27 2.07 -0.90 -1.73 116.25 120.40 1frw h VAL 86 Ca 0.37 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 1frw h VAL 86 Cb -0.11 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1frw h VAL 86 CO -0.09 0.42 -0.13 0.24 0.02 0.00 0.00 177.57 178.03 1frw h MET 87 N 0.43 0.26 0.00 1.57 2.07 -0.72 -0.41 114.93 118.13 1frw h MET 87 Ca 0.06 -0.06 -0.03 0.00 -2.07 0.00 0.00 59.70 57.60 1frw h MET 87 Cb 0.73 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.42 1frw h MET 87 CO 0.05 0.40 -0.14 1.96 1.07 0.00 0.00 176.91 180.26 1frw h GLN 88 N 0.25 0.00 -0.01 1.72 4.20 -0.69 -3.30 115.11 117.28 1frw h GLN 88 Ca 0.05 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.76 1frw h GLN 88 Cb 0.39 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1frw h GLN 88 CO 0.02 0.14 -0.09 1.04 -0.67 0.00 0.00 178.83 179.27 1frw n GLN 89 N -3.21 1.35 -4.76 1.46 6.02 -0.68 -4.98 117.38 112.57 1frw n GLN 89 Ca 0.01 -0.71 -0.25 0.00 -0.01 0.00 0.00 57.00 56.05 1frw n GLN 89 Cb 0.45 -1.06 -0.15 0.00 1.02 0.00 0.00 30.24 30.49 1frw n GLN 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1frw s GLU 90 N -0.94 1.41 0.11 -1.09 0.41 -0.21 -5.05 118.70 113.34 1frw s GLU 90 Ca 0.07 -0.76 0.25 0.00 -0.41 0.00 0.00 54.97 54.13 1frw s GLU 90 Cb 0.06 -1.42 0.61 0.00 -1.78 0.00 0.00 34.13 31.61 1frw s GLU 90 CO 0.15 0.38 1.54 0.00 -0.49 0.00 0.00 175.26 176.83 1frw n ALA 91 N 2.32 2.78 -0.59 5.21 0.00 -1.26 -4.73 120.51 124.23 1frw n ALA 91 Ca -0.16 -0.19 -0.30 0.00 0.00 0.00 0.00 53.44 52.80 1frw n ALA 91 Cb 0.54 -1.28 0.21 0.00 0.00 0.00 0.00 19.45 18.91 1frw n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frw n GLY 92 N 1.38 -1.50 0.15 0.00 0.00 -1.26 -4.95 105.19 99.01 1frw n GLY 92 Ca 0.05 -0.94 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 1frw n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1frw h GLU 93 N -2.26 0.51 -6.69 1.61 4.81 -1.94 -3.44 114.58 107.19 1frw h GLU 93 Ca -0.53 -0.88 -0.70 0.00 -0.13 0.00 0.00 59.36 57.13 1frw h GLU 93 Cb 1.31 0.33 -0.27 0.00 0.63 0.00 0.00 28.75 30.75 1frw h GLU 93 CO 0.44 1.42 -0.88 -1.58 -0.73 0.00 0.00 179.01 177.68 1frw s TRP 94 N -2.59 2.35 -0.03 0.92 0.52 -1.26 -0.18 118.94 118.67 1frw s TRP 94 Ca -0.11 -0.40 0.02 0.00 0.02 0.00 0.00 56.10 55.63 1frw s TRP 94 Cb 0.04 -1.42 0.00 0.00 -1.15 0.00 0.00 33.47 30.94 1frw s TRP 94 CO 0.93 0.10 -0.08 -0.06 0.02 0.00 0.00 176.95 177.86 1frw s PHE 95 N -0.77 0.88 -0.33 -1.98 0.40 -0.22 -0.99 117.98 114.96 1frw s PHE 95 Ca 0.12 -0.22 -0.03 0.00 -0.60 0.00 0.00 56.93 56.20 1frw s PHE 95 Cb -0.10 -0.64 0.06 0.00 0.51 0.00 0.00 43.02 42.85 1frw s PHE 95 CO 0.02 -0.10 0.07 -1.17 0.70 0.00 0.00 175.22 174.74 1frw s LEU 96 N 0.23 4.30 0.11 -0.37 2.96 0.28 -0.40 118.68 125.79 1frw s LEU 96 Ca -0.03 -1.40 -0.09 0.00 -0.22 0.00 0.00 54.13 52.39 1frw s LEU 96 Cb -0.08 -1.78 -0.06 0.00 0.50 0.00 0.00 46.19 44.77 1frw s LEU 96 CO 0.00 -0.34 0.41 -0.36 -1.32 0.00 0.00 176.35 174.75 1frw s PHE 97 N 1.27 3.54 -0.19 5.38 0.40 -0.11 -0.57 117.98 127.68 1frw s PHE 97 Ca -0.01 0.74 -0.12 0.00 -0.60 0.00 0.00 56.93 56.94 1frw s PHE 97 Cb -0.20 -2.13 0.06 0.00 0.51 0.00 0.00 43.02 41.25 1frw s PHE 97 CO -0.01 0.47 0.47 0.00 0.70 0.00 0.00 175.22 176.85 1frw s PRO 99 N 1.22 1.79 0.00 0.00 0.04 -1.26 -0.83 135.00 135.96 1frw s PRO 99 Ca -0.08 1.49 0.19 0.00 0.04 0.00 0.00 61.00 62.64 1frw s PRO 99 Cb -0.07 -1.82 0.94 0.00 0.04 0.00 0.00 34.50 33.59 1frw s PRO 99 CO -0.11 -2.05 1.58 0.00 0.04 0.00 0.00 177.00 176.46 1frw n ASP 101 N -1.30 2.54 -3.55 0.00 5.75 -1.26 -3.25 116.55 115.49 1frw n ASP 101 Ca 0.09 -3.44 -0.27 0.00 -0.01 0.00 0.00 54.79 51.15 1frw n ASP 101 Cb 0.15 -0.53 -0.09 0.00 -1.03 0.00 0.00 41.12 39.62 1frw n ASP 101 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1frw n THR 102 N -1.09 2.17 0.33 2.12 -2.24 -1.24 -0.84 114.28 113.48 1frw n THR 102 Ca 0.22 -5.13 0.13 0.00 -2.27 0.00 0.00 64.05 57.00 1frw n THR 102 Cb 0.80 -2.12 0.56 0.00 -2.10 0.00 0.00 70.33 67.47 1frw n THR 102 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1frw h PRO 103 N 4.51 0.00 -0.63 -0.78 0.13 -1.85 -3.04 132.00 130.33 1frw h PRO 103 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1frw h PRO 103 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 1frw h PRO 103 CO 0.80 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.23 1frw n TYR 104 N -2.36 1.76 -1.64 1.56 0.53 -1.26 -4.60 117.16 111.15 1frw n TYR 104 Ca 0.01 -0.66 -0.44 0.00 -1.02 0.00 0.00 57.90 55.80 1frw n TYR 104 Cb 0.18 -0.36 -0.01 0.00 -1.03 0.00 0.00 39.34 38.13 1frw n TYR 104 CO 0.00 0.00 0.00 0.44 -1.02 0.00 0.00 176.86 176.28 1frw n ILE 105 N 0.96 1.94 -1.80 -0.72 -5.35 -1.09 -4.59 119.36 108.71 1frw n ILE 105 Ca 0.27 -0.48 -0.31 0.00 -0.27 0.00 0.00 62.75 61.96 1frw n ILE 105 Cb 1.03 -1.28 0.03 0.00 -1.74 0.00 0.00 39.64 37.68 1frw n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1frw s PRO 106 N -1.64 3.18 0.01 6.28 0.04 -1.26 -4.95 135.00 136.66 1frw s PRO 106 Ca 0.58 0.69 0.19 0.00 0.04 0.00 0.00 61.00 62.50 1frw s PRO 106 Cb -0.64 -2.04 0.79 0.00 0.04 0.00 0.00 34.50 32.65 1frw s PRO 106 CO 0.60 -0.86 1.59 -0.35 0.04 0.00 0.00 177.00 178.03 1frw n PRO 107 N -2.93 0.01 -0.26 0.56 -0.04 -1.26 -2.51 135.00 128.57 1frw n PRO 107 Ca 0.07 0.19 0.09 0.00 -0.04 0.00 0.00 63.50 63.81 1frw n PRO 107 Cb 0.55 -1.52 0.19 0.00 -0.04 0.00 0.00 33.50 32.68 1frw n PRO 107 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1frw n ASP 108 N -1.54 2.87 0.17 3.54 5.75 -1.26 -4.79 116.55 121.30 1frw n ASP 108 Ca 0.04 -3.13 -0.15 0.00 -0.01 0.00 0.00 54.79 51.54 1frw n ASP 108 Cb 0.22 -0.49 -0.07 0.00 -1.03 0.00 0.00 41.12 39.75 1frw n ASP 108 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1frw h LEU 109 N 0.73 -0.96 -0.35 -2.12 5.85 -1.88 -0.93 115.31 115.65 1frw h LEU 109 Ca 0.01 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1frw h LEU 109 Cb 1.19 0.34 -0.02 0.00 0.37 0.00 0.00 40.66 42.54 1frw h LEU 109 CO 0.10 -0.46 0.15 0.00 -0.34 0.00 0.00 178.44 177.89 1frw h ALA 110 N -0.11 0.45 -0.46 1.25 0.00 -1.86 -1.86 119.26 116.66 1frw h ALA 110 Ca 0.00 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1frw h ALA 110 Cb 0.62 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1frw h ALA 110 CO -0.12 0.04 0.21 0.00 0.00 0.00 0.00 179.25 179.38 1frw h ALA 111 N 1.00 0.60 -0.25 0.00 0.00 -1.87 0.10 119.26 118.84 1frw h ALA 111 Ca 0.12 -0.13 -0.15 0.00 0.00 0.00 0.00 54.91 54.75 1frw h ALA 111 Cb 0.16 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1frw h ALA 111 CO -0.01 0.18 -0.44 -0.09 0.00 0.00 0.00 179.25 178.89 1frw h ARG 112 N 0.61 0.74 -0.28 0.00 2.43 -1.09 0.75 114.38 117.53 1frw h ARG 112 Ca 0.16 -0.46 -0.00 0.00 -0.81 0.00 0.00 59.98 58.86 1frw h ARG 112 Cb 0.15 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.74 1frw h ARG 112 CO -0.02 1.09 0.16 -0.07 -1.51 0.00 0.00 179.97 179.62 1frw h LEU 113 N 0.48 0.35 -0.35 3.80 3.38 -1.26 -2.12 115.31 119.59 1frw h LEU 113 Ca 0.02 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 57.93 1frw h LEU 113 Cb 1.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1frw h LEU 113 CO 0.10 0.32 0.19 -1.13 0.09 0.00 0.00 178.44 178.01 1frw h ASN 114 N 0.35 0.31 0.19 -0.43 -1.24 -0.66 -2.54 115.58 111.56 1frw h ASN 114 Ca 0.10 0.01 -0.05 0.00 0.71 0.00 0.00 56.30 57.07 1frw h ASN 114 Cb 0.04 -0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.03 1frw h ASN 114 CO -0.02 0.22 -0.21 -0.74 -1.29 0.00 0.00 177.43 175.39 1frw h HIS 115 N 0.40 0.05 -0.54 0.67 2.76 -0.68 -2.59 115.15 115.21 1frw h HIS 115 Ca 0.14 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 1frw h HIS 115 Cb 0.02 -0.01 0.00 0.00 1.55 0.00 0.00 27.41 28.97 1frw h HIS 115 CO -0.08 0.26 0.00 1.04 -1.30 0.00 0.00 177.93 177.84 1frw n GLN 116 N -4.27 2.50 -0.07 5.26 1.13 -0.81 -4.38 117.38 116.74 1frw n GLN 116 Ca -0.02 -2.05 -0.03 0.00 -1.94 0.00 0.00 57.00 52.96 1frw n GLN 116 Cb 0.28 -1.52 0.22 0.00 0.11 0.00 0.00 30.24 29.33 1frw n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1frw h ARG 117 N 3.22 0.68 -6.39 -1.09 3.08 -1.04 -3.46 114.38 109.39 1frw h ARG 117 Ca 0.00 -0.17 -0.48 0.00 0.07 0.00 0.00 59.98 59.40 1frw h ARG 117 Cb 0.86 -0.09 -0.05 0.00 0.08 0.00 0.00 29.97 30.77 1frw h ARG 117 CO 0.05 0.70 -0.83 1.63 -1.07 0.00 0.00 179.97 180.45 1frw n LYS 118 N -4.24 -4.29 -0.90 0.04 5.02 -1.26 -1.38 118.16 111.15 1frw n LYS 118 Ca 0.02 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.82 1frw n LYS 118 Cb 0.27 -5.05 0.00 0.00 -0.02 0.00 0.00 35.03 30.23 1frw n LYS 118 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1frw n ASP 119 N -2.91 -3.71 -4.80 4.39 8.00 -1.26 -5.01 116.55 111.26 1frw n ASP 119 Ca -0.15 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.01 1frw n ASP 119 Cb 0.61 -2.44 -0.03 0.00 -0.02 0.00 0.00 41.12 39.24 1frw n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frw s ALA 120 N -1.43 2.85 -1.46 2.24 0.00 -0.48 -4.95 121.76 118.54 1frw s ALA 120 Ca 0.00 0.59 0.29 0.00 0.00 0.00 0.00 51.96 52.84 1frw s ALA 120 Cb 0.00 -3.25 1.23 0.00 0.00 0.00 0.00 23.12 21.10 1frw s ALA 120 CO 0.00 -0.38 1.88 -0.35 0.00 0.00 0.00 175.76 176.91 1frw n PRO 121 N -1.08 0.48 -3.71 0.00 -0.04 -1.26 -4.83 135.00 124.56 1frw n PRO 121 Ca 0.09 -0.13 -0.13 0.00 -0.04 0.00 0.00 63.50 63.30 1frw n PRO 121 Cb 0.52 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 1frw n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1frw s VAL 122 N -2.61 -0.00 0.03 0.52 0.11 -1.26 -0.34 120.40 116.85 1frw s VAL 122 Ca 0.25 0.01 -0.00 0.00 -2.93 0.00 0.00 61.98 59.31 1frw s VAL 122 Cb 0.20 -0.66 -0.03 0.00 -1.53 0.00 0.00 36.38 34.37 1frw s VAL 122 CO 0.50 0.00 -0.03 0.68 -3.33 0.00 0.00 175.10 172.92 1frw s VAL 123 N 0.38 0.15 0.18 2.04 -7.23 -0.45 -2.83 120.40 112.64 1frw s VAL 123 Ca -0.01 -1.18 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1frw s VAL 123 Cb -0.04 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1frw s VAL 123 CO -0.01 -0.64 0.07 -1.66 -0.31 0.00 0.00 175.10 172.55 1frw s TRP 124 N -2.18 1.14 0.02 2.82 -2.14 -1.03 -0.93 118.94 116.63 1frw s TRP 124 Ca -0.09 -1.21 -0.25 0.00 2.66 0.00 0.00 56.10 57.20 1frw s TRP 124 Cb -0.05 -0.62 -0.05 0.00 -3.10 0.00 0.00 33.47 29.65 1frw s TRP 124 CO -0.04 -0.45 0.78 0.08 -2.66 0.00 0.00 176.95 174.66 1frw s VAL 125 N -3.94 4.81 -0.19 -0.66 1.01 -0.79 -0.19 120.40 120.45 1frw s VAL 125 Ca 0.30 1.64 -0.02 0.00 0.00 0.00 0.00 61.98 63.91 1frw s VAL 125 Cb 0.07 -4.12 -0.01 0.00 0.00 0.00 0.00 36.38 32.32 1frw s VAL 125 CO 0.07 0.32 -0.09 -2.28 0.00 0.00 0.00 175.10 173.11 1frw s HIS 126 N 0.25 2.89 -2.07 5.22 2.46 -0.33 -0.38 115.29 123.33 1frw s HIS 126 Ca 0.40 -0.95 0.14 0.00 0.47 0.00 0.00 55.06 55.11 1frw s HIS 126 Cb -0.20 -2.00 0.43 0.00 -0.13 0.00 0.00 32.58 30.68 1frw s HIS 126 CO 0.23 -0.49 1.34 -0.40 -2.47 0.00 0.00 174.74 172.95 1frw n ASP 127 N 4.39 1.94 0.00 9.88 5.68 -0.62 -0.76 116.55 137.06 1frw n ASP 127 Ca -0.19 -1.93 0.00 0.00 -0.50 0.00 0.00 54.79 52.17 1frw n ASP 127 Cb 0.51 -0.22 0.00 0.00 -1.14 0.00 0.00 41.12 40.28 1frw n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1frw n GLY 128 N 1.11 2.81 0.05 6.12 0.00 -1.26 -3.85 105.19 110.17 1frw n GLY 128 Ca 0.13 -0.57 -0.06 0.00 0.00 0.00 0.00 46.02 45.53 1frw n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1frw n GLU 129 N 0.00 2.01 -3.77 1.61 1.02 -1.26 -5.05 120.64 115.20 1frw n GLU 129 Ca 0.00 0.01 -0.10 0.00 -0.02 0.00 0.00 57.16 57.05 1frw n GLU 129 Cb 0.00 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 1frw n GLU 129 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1frw s ARG 130 N -2.24 1.19 0.43 3.49 1.70 -1.26 -5.14 118.95 117.11 1frw s ARG 130 Ca -0.07 -0.90 -0.22 0.00 -0.47 0.00 0.00 55.73 54.07 1frw s ARG 130 Cb 0.03 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.77 1frw s ARG 130 CO 0.38 -0.47 1.00 -0.51 -1.08 0.00 0.00 175.30 174.62 1frw s ASP 131 N -2.87 6.76 -0.58 -2.89 1.01 -1.26 -1.59 116.67 115.24 1frw s ASP 131 Ca 0.09 1.87 0.05 0.00 0.71 0.00 0.00 52.55 55.27 1frw s ASP 131 Cb 0.01 -2.56 0.19 0.00 1.01 0.00 0.00 42.92 41.57 1frw s ASP 131 CO -0.06 -0.49 0.50 1.41 0.21 0.00 0.00 175.17 176.75 1frw n HIS 132 N -0.44 1.79 0.30 4.23 8.25 0.49 -4.96 115.22 124.88 1frw n HIS 132 Ca 0.07 -3.93 0.17 0.00 -0.26 0.00 0.00 57.72 53.77 1frw n HIS 132 Cb 0.52 -0.34 0.78 0.00 1.12 0.00 0.00 29.99 32.07 1frw n HIS 132 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1frw h PRO 133 N 5.06 0.00 -0.01 -0.41 0.13 -1.96 -1.60 132.00 133.22 1frw h PRO 133 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1frw h PRO 133 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1frw h PRO 133 CO 0.62 0.00 -0.07 0.25 -0.23 0.00 0.00 178.00 178.56 1frw n THR 134 N -2.81 0.00 -3.31 1.56 -2.24 -1.26 -4.37 114.28 101.84 1frw n THR 134 Ca -0.00 -0.20 -0.47 0.00 -2.27 0.00 0.00 64.05 61.11 1frw n THR 134 Cb 0.19 0.40 -0.02 0.00 -2.10 0.00 0.00 70.33 68.80 1frw n THR 134 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1frw s ILE 135 N -2.16 5.54 -0.00 2.28 1.01 -0.60 -3.71 121.20 123.56 1frw s ILE 135 Ca 0.34 -2.33 -0.02 0.00 0.00 0.00 0.00 60.65 58.64 1frw s ILE 135 Cb 0.21 -4.46 -0.01 0.00 0.01 0.00 0.00 42.46 38.21 1frw s ILE 135 CO 0.39 -1.03 0.04 0.00 0.00 0.00 0.00 174.94 174.35 1frw s ALA 136 N 0.41 -0.08 -0.25 9.38 0.00 -0.87 -1.89 121.76 128.46 1frw s ALA 136 Ca 0.17 -0.20 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 1frw s ALA 136 Cb -0.12 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1frw s ALA 136 CO -0.08 -0.12 0.08 -1.17 0.00 0.00 0.00 175.76 174.47 1frw s LEU 137 N -0.86 3.47 -0.06 0.00 2.96 -0.11 -0.94 118.68 123.15 1frw s LEU 137 Ca -0.09 -0.20 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1frw s LEU 137 Cb -0.06 -1.93 0.02 0.00 0.50 0.00 0.00 46.19 44.72 1frw s LEU 137 CO -0.00 -0.04 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.22 1frw s VAL 138 N 1.62 0.85 0.07 1.68 1.01 0.46 -1.35 120.40 124.76 1frw s VAL 138 Ca 0.06 -0.31 -0.22 0.00 0.00 0.00 0.00 61.98 61.51 1frw s VAL 138 Cb -0.15 -0.81 -0.06 0.00 0.00 0.00 0.00 36.38 35.35 1frw s VAL 138 CO 0.04 0.29 0.66 0.21 0.00 0.00 0.00 175.10 176.30 1frw s ASN 139 N 0.78 7.15 0.16 3.32 3.84 0.54 -1.06 114.94 129.67 1frw s ASN 139 Ca -0.13 1.37 0.12 0.00 0.21 0.00 0.00 52.86 54.43 1frw s ASN 139 Cb -0.15 -2.41 0.63 0.00 -0.55 0.00 0.00 41.25 38.77 1frw s ASN 139 CO 0.02 0.18 1.38 -2.11 -2.79 0.00 0.00 177.10 173.78 1frw n ARG 140 N 2.10 0.08 0.32 0.43 1.85 0.74 -2.09 116.66 120.09 1frw n ARG 140 Ca -0.07 0.52 0.22 0.00 -1.00 0.00 0.00 57.85 57.52 1frw n ARG 140 Cb 0.50 -1.72 1.16 0.00 -1.05 0.00 0.00 32.46 31.35 1frw n ARG 140 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1frw h ALA 141 N 2.07 1.00 -0.28 2.89 0.00 -1.93 -0.51 119.26 122.50 1frw h ALA 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1frw h ALA 141 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1frw h ALA 141 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 179.25 179.69 1frw n ILE 142 N -3.01 0.37 -0.10 0.00 -5.35 -0.89 -4.28 119.36 106.10 1frw n ILE 142 Ca -0.03 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 61.97 1frw n ILE 142 Cb 0.07 0.29 0.00 0.00 -1.74 0.00 0.00 39.64 38.27 1frw n ILE 142 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1frw h GLU 143 N 2.14 -0.04 -0.51 6.28 4.81 -1.31 -0.40 114.58 125.54 1frw h GLU 143 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1frw h GLU 143 Cb 0.48 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1frw h GLU 143 CO 0.00 -0.02 0.33 -1.35 -0.73 0.00 0.00 179.01 177.24 1frw h PRO 144 N -0.04 0.68 -0.72 0.92 0.11 -1.81 0.16 132.00 131.29 1frw h PRO 144 Ca 0.17 -0.05 0.02 0.00 0.11 0.00 0.00 66.00 66.26 1frw h PRO 144 Cb 0.30 -0.15 -0.04 0.00 0.11 0.00 0.00 31.00 31.22 1frw h PRO 144 CO -0.38 0.47 0.46 1.25 -0.21 0.00 0.00 178.00 179.59 1frw h LEU 145 N 0.69 0.78 -0.49 2.35 5.85 -1.72 -1.84 115.31 120.92 1frw h LEU 145 Ca 0.19 -0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1frw h LEU 145 Cb -0.06 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.77 1frw h LEU 145 CO -0.04 0.55 0.15 0.25 -0.34 0.00 0.00 178.44 179.01 1frw h LEU 146 N 0.92 0.72 -0.48 2.25 5.85 -0.69 -1.15 115.31 122.73 1frw h LEU 146 Ca 0.28 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.80 1frw h LEU 146 Cb -0.03 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1frw h LEU 146 CO -0.09 0.74 0.32 0.25 -0.34 0.00 0.00 178.44 179.32 1frw h LEU 147 N 0.67 0.55 -0.81 2.25 5.85 -0.75 -1.64 115.31 121.43 1frw h LEU 147 Ca 0.16 -0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.82 1frw h LEU 147 Cb 0.28 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 1frw h LEU 147 CO -0.00 0.40 0.32 -0.08 -0.34 0.00 0.00 178.44 178.74 1frw h GLU 148 N 0.65 1.20 -0.23 1.25 4.81 -1.17 0.47 114.58 121.57 1frw h GLU 148 Ca 0.18 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1frw h GLU 148 Cb -0.07 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.10 1frw h GLU 148 CO -0.04 0.97 0.12 -0.92 -0.73 0.00 0.00 179.01 178.41 1frw h TYR 149 N 1.17 0.32 -0.23 0.92 3.20 -0.89 -0.22 116.97 121.24 1frw h TYR 149 Ca 0.27 -0.01 -0.21 0.00 3.14 0.00 0.00 58.73 61.92 1frw h TYR 149 Cb 0.21 -0.10 0.01 0.00 1.54 0.00 0.00 36.73 38.39 1frw h TYR 149 CO 0.02 0.29 -0.66 -0.07 -1.64 0.00 0.00 178.16 176.10 1frw h LEU 150 N 0.26 0.97 -1.57 2.82 3.38 -1.13 -1.98 115.31 118.07 1frw h LEU 150 Ca 0.08 -0.58 0.02 0.00 0.09 0.00 0.00 57.88 57.49 1frw h LEU 150 Cb 0.08 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1frw h LEU 150 CO -0.01 1.38 0.31 1.56 0.09 0.00 0.00 178.44 181.77 1frw h GLN 151 N 0.61 0.57 0.00 1.13 4.20 -0.70 -0.06 115.11 120.86 1frw h GLN 151 Ca -0.02 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.66 1frw h GLN 151 Cb 1.28 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.93 1frw h GLN 151 CO 0.14 0.37 0.00 0.00 -0.67 0.00 0.00 178.83 178.68 1frw n ALA 152 N -2.47 2.06 -0.53 3.87 0.00 -0.11 -4.88 120.51 118.44 1frw n ALA 152 Ca 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1frw n ALA 152 Cb 0.10 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.23 1frw n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frw n GLY 153 N 0.34 0.72 3.90 0.00 0.00 -0.04 -5.07 105.19 105.04 1frw n GLY 153 Ca 0.10 -0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1frw n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1frw s GLU 154 N -0.62 3.67 0.00 1.61 0.41 -0.76 -5.01 118.70 118.00 1frw s GLU 154 Ca 0.00 0.13 0.00 0.00 -0.41 0.00 0.00 54.97 54.69 1frw s GLU 154 Cb 0.00 -2.57 0.00 0.00 -1.78 0.00 0.00 34.13 29.78 1frw s GLU 154 CO 0.00 0.13 0.00 0.54 -0.49 0.00 0.00 175.26 175.44 1frw n ARG 155 N -1.10 5.00 -1.84 1.61 1.74 -1.26 -4.34 116.66 116.48 1frw n ARG 155 Ca -0.01 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.65 1frw n ARG 155 Cb 0.54 -0.44 -0.03 0.00 -1.02 0.00 0.00 32.46 31.51 1frw n ARG 155 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1frw s ARG 156 N -0.04 4.17 -0.01 5.56 0.52 -1.26 -4.81 118.95 123.07 1frw s ARG 156 Ca 0.00 2.46 -0.22 0.00 -0.52 0.00 0.00 55.73 57.44 1frw s ARG 156 Cb 0.00 -3.45 -0.14 0.00 0.52 0.00 0.00 34.95 31.87 1frw s ARG 156 CO 0.00 -0.75 1.00 0.28 0.02 0.00 0.00 175.30 175.86 1frw h VAL 157 N 4.51 0.49 -0.52 3.52 2.07 -1.98 -2.83 116.25 121.50 1frw h VAL 157 Ca -0.44 -0.68 -0.06 0.00 0.82 0.00 0.00 66.70 66.34 1frw h VAL 157 Cb 1.21 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.70 1frw h VAL 157 CO 0.94 0.10 0.08 -0.03 0.02 0.00 0.00 177.57 178.68 1frw h MET 158 N -0.94 0.83 -0.72 1.57 1.85 -1.91 -0.81 114.93 114.81 1frw h MET 158 Ca -0.05 -0.19 0.07 0.00 -0.61 0.00 0.00 59.70 58.92 1frw h MET 158 Cb 0.53 -0.11 -0.06 0.00 0.43 0.00 0.00 31.60 32.39 1frw h MET 158 CO 0.08 0.78 0.40 0.28 -0.40 0.00 0.00 176.91 178.05 1frw h VAL 159 N 0.79 0.95 -0.19 -5.77 2.07 -1.97 -0.56 116.25 111.57 1frw h VAL 159 Ca 0.17 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1frw h VAL 159 Cb 0.36 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 1frw h VAL 159 CO 0.01 0.13 0.08 0.15 0.02 0.00 0.00 177.57 177.96 1frw h PHE 160 N 0.72 0.28 -0.28 1.57 3.57 -1.13 -1.42 116.94 120.25 1frw h PHE 160 Ca 0.33 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 1frw h PHE 160 Cb 0.23 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.87 1frw h PHE 160 CO -0.07 0.32 -0.02 0.52 -2.23 0.00 0.00 178.31 176.82 1frw h MET 161 N 0.16 0.42 -0.48 1.11 2.86 -0.72 -1.44 114.93 116.84 1frw h MET 161 Ca 0.06 -0.08 -0.13 0.00 -2.06 0.00 0.00 59.70 57.49 1frw h MET 161 Cb 0.15 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.74 1frw h MET 161 CO -0.01 0.47 -0.20 0.00 1.06 0.00 0.00 176.91 178.23 1frw h ARG 162 N 0.41 0.99 0.00 1.72 3.08 -0.94 -0.78 114.38 118.86 1frw h ARG 162 Ca 0.09 -0.42 -0.04 0.00 0.07 0.00 0.00 59.98 59.68 1frw h ARG 162 Cb 0.31 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1frw h ARG 162 CO 0.01 1.10 -0.18 1.25 -1.07 0.00 0.00 179.97 181.08 1frw h LEU 163 N 0.85 0.00 0.00 3.04 5.85 -0.57 -0.61 115.31 123.86 1frw h LEU 163 Ca 0.11 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1frw h LEU 163 Cb 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 1frw h LEU 163 CO 0.06 0.18 0.00 0.00 -0.34 0.00 0.00 178.44 178.34 1frw n ALA 164 N -2.37 2.31 -0.10 1.25 0.00 -0.61 -4.90 120.51 116.10 1frw n ALA 164 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1frw n ALA 164 Cb 0.27 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.27 1frw n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1frw n GLY 165 N 1.27 0.94 3.91 0.00 0.00 -0.24 -4.68 105.19 106.39 1frw n GLY 165 Ca 0.09 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1frw n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1frw s GLY 166 N -2.08 1.64 0.12 -0.02 0.00 -0.31 -4.63 107.32 102.04 1frw s GLY 166 Ca 0.00 -0.79 -0.13 0.00 0.00 0.00 0.00 44.72 43.81 1frw s GLY 166 CO 0.00 -0.34 0.32 -2.38 0.00 0.00 0.00 173.10 170.71 1frw s HIS 167 N -3.42 -0.00 0.40 1.90 -3.43 -1.13 -4.61 115.29 105.01 1frw s HIS 167 Ca 0.61 -0.36 -0.23 0.00 -0.80 0.00 0.00 55.06 54.28 1frw s HIS 167 Cb -0.11 0.12 -0.10 0.00 -1.43 0.00 0.00 32.58 31.06 1frw s HIS 167 CO 0.47 -0.67 0.98 0.00 -2.00 0.00 0.00 174.74 173.52 1frw s ALA 168 N -3.85 3.08 -0.10 -1.38 0.00 -1.26 -2.47 121.76 115.78 1frw s ALA 168 Ca 0.06 0.52 0.04 0.00 0.00 0.00 0.00 51.96 52.58 1frw s ALA 168 Cb 0.03 -3.20 -0.00 0.00 0.00 0.00 0.00 23.12 19.95 1frw s ALA 168 CO -0.09 0.02 -0.23 0.08 0.00 0.00 0.00 175.76 175.53 1frw s VAL 169 N -1.89 2.19 -0.19 0.00 1.01 0.73 -4.88 120.40 117.37 1frw s VAL 169 Ca 0.58 -0.98 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1frw s VAL 169 Cb -0.15 -1.84 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 1frw s VAL 169 CO 0.20 0.56 1.32 -0.62 0.00 0.00 0.00 175.10 176.56 1frw s ASP 170 N 0.26 6.84 -0.21 3.32 2.15 -1.26 -1.19 116.67 126.57 1frw s ASP 170 Ca -0.16 1.64 0.13 0.00 0.43 0.00 0.00 52.55 54.59 1frw s ASP 170 Cb -0.17 -2.54 0.44 0.00 -0.30 0.00 0.00 42.92 40.35 1frw s ASP 170 CO 0.08 -0.87 1.32 0.49 -0.17 0.00 0.00 175.17 176.02 1frw n PHE 171 N 6.96 0.51 0.32 -5.34 3.01 0.06 -4.82 117.46 118.16 1frw n PHE 171 Ca 0.15 -1.31 0.19 0.00 1.01 0.00 0.00 57.45 57.49 1frw n PHE 171 Cb 0.45 -0.32 1.05 0.00 -0.01 0.00 0.00 39.48 40.65 1frw n PHE 171 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1frw h SER 172 N 0.90 0.00 0.19 4.37 4.64 -1.71 -0.86 113.55 121.08 1frw h SER 172 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1frw h SER 172 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1frw h SER 172 CO 0.16 0.01 -0.05 -0.90 -0.87 0.00 0.00 176.83 175.19 1frw n ASP 173 N -3.32 0.51 -4.22 4.97 5.75 -1.26 -4.57 116.55 114.41 1frw n ASP 173 Ca -0.02 -0.87 -0.42 0.00 -0.01 0.00 0.00 54.79 53.47 1frw n ASP 173 Cb 0.12 -0.05 -0.05 0.00 -1.03 0.00 0.00 41.12 40.11 1frw n ASP 173 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1frw s HIS 174 N -2.24 3.73 -0.50 2.11 3.76 -0.33 -5.01 115.29 116.81 1frw s HIS 174 Ca 0.36 -2.47 -0.36 0.00 -0.15 0.00 0.00 55.06 52.44 1frw s HIS 174 Cb 0.21 -3.54 -0.15 0.00 1.11 0.00 0.00 32.58 30.21 1frw s HIS 174 CO 0.41 -0.90 2.28 1.17 -0.85 0.00 0.00 174.74 176.85 1frw n LYS 175 N 3.40 0.62 -1.91 1.40 4.81 -1.26 -2.21 118.16 123.01 1frw n LYS 175 Ca 0.14 0.14 -0.19 0.00 -0.87 0.00 0.00 58.31 57.54 1frw n LYS 175 Cb 0.42 -2.15 -0.05 0.00 0.02 0.00 0.00 35.03 33.27 1frw n LYS 175 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1frw n ASP 176 N 9.89 -5.11 0.20 3.14 8.00 -1.26 -4.83 116.55 126.58 1frw n ASP 176 Ca 0.48 0.28 0.14 0.00 0.71 0.00 0.00 54.79 56.40 1frw n ASP 176 Cb 0.16 -4.43 0.40 0.00 -0.02 0.00 0.00 41.12 37.22 1frw n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1frw h ALA 177 N 0.56 1.00 -0.21 2.24 0.00 -1.69 -3.21 119.26 117.95 1frw h ALA 177 Ca -0.41 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 1frw h ALA 177 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 1frw h ALA 177 CO 0.54 0.00 -0.00 1.19 0.00 0.00 0.00 179.25 180.98 1frw n PHE 178 N -2.83 0.75 -1.64 0.00 3.01 -1.26 -2.67 117.46 112.82 1frw n PHE 178 Ca 0.03 -0.93 -0.48 0.00 1.01 0.00 0.00 57.45 57.08 1frw n PHE 178 Cb 0.41 -0.29 -0.05 0.00 -0.01 0.00 0.00 39.48 39.55 1frw n PHE 178 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1frw n VAL 179 N -0.73 0.08 -4.35 -4.37 0.31 -1.21 -4.98 118.33 103.08 1frw n VAL 179 Ca 0.21 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 64.18 1frw n VAL 179 Cb 0.85 -1.25 -0.12 0.00 -0.91 0.00 0.00 33.84 32.40 1frw n VAL 179 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1frw s ASN 180 N 0.69 4.91 -0.79 4.52 2.20 -1.26 -4.33 114.94 120.89 1frw s ASN 180 Ca 0.80 -0.10 -0.21 0.00 -0.94 0.00 0.00 52.86 52.41 1frw s ASN 180 Cb -0.78 -1.80 0.09 0.00 -2.00 0.00 0.00 41.25 36.76 1frw s ASN 180 CO 0.42 0.18 1.06 -0.69 -2.94 0.00 0.00 177.10 175.13 1frw s VAL 181 N 0.33 4.44 0.09 3.54 1.01 -0.02 -4.85 120.40 124.94 1frw s VAL 181 Ca -0.03 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1frw s VAL 181 Cb -0.14 -4.75 -0.22 0.00 0.00 0.00 0.00 36.38 31.27 1frw s VAL 181 CO 0.03 -1.52 1.22 0.78 0.00 0.00 0.00 175.10 175.61 1frw h ASN 182 N 9.32 0.73 -5.50 3.32 2.35 -1.96 -3.47 115.58 120.38 1frw h ASN 182 Ca -0.09 -0.61 -0.20 0.00 -0.55 0.00 0.00 56.30 54.85 1frw h ASN 182 Cb 1.05 -0.23 -0.14 0.00 0.05 0.00 0.00 38.32 39.05 1frw h ASN 182 CO 1.17 1.41 -0.56 0.42 -1.65 0.00 0.00 177.43 178.22 1frw s THR 183 N -3.21 0.03 0.33 2.81 -4.23 -1.26 -5.03 115.64 105.08 1frw s THR 183 Ca -0.08 -1.89 0.08 0.00 -1.18 0.00 0.00 61.69 58.62 1frw s THR 183 Cb 0.07 -2.32 0.32 0.00 1.34 0.00 0.00 72.50 71.91 1frw s THR 183 CO 0.90 -0.13 1.83 -0.65 -0.54 0.00 0.00 174.62 176.02 1frw h PRO 184 N 2.64 0.71 -0.29 3.99 0.11 -1.98 -1.43 132.00 135.76 1frw h PRO 184 Ca -0.35 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.67 1frw h PRO 184 Cb 1.24 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1frw h PRO 184 CO 0.53 0.47 -0.03 0.93 -0.21 0.00 0.00 178.00 179.69 1frw h GLU 185 N 0.73 0.53 -0.75 1.05 3.07 -2.00 -1.56 114.58 115.65 1frw h GLU 185 Ca 0.51 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 59.13 1frw h GLU 185 Cb 0.82 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.65 1frw h GLU 185 CO -0.27 0.70 0.25 1.49 -1.40 0.00 0.00 179.01 179.78 1frw h GLU 186 N 0.30 1.16 -0.96 2.33 4.57 -1.87 -2.39 114.58 117.72 1frw h GLU 186 Ca 0.08 -0.24 0.13 0.00 -1.18 0.00 0.00 59.36 58.15 1frw h GLU 186 Cb 0.48 -0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 28.81 1frw h GLU 186 CO 0.02 0.97 0.59 1.25 -1.18 0.00 0.00 179.01 180.66 1frw h LEU 187 N 1.11 0.83 -1.55 1.64 5.85 -0.99 0.22 115.31 122.42 1frw h LEU 187 Ca 0.25 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.98 1frw h LEU 187 Cb 0.28 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1frw h LEU 187 CO -0.01 0.42 -0.23 0.00 -0.34 0.00 0.00 178.44 178.27 1frw h ALA 188 N 1.55 1.38 0.00 1.25 0.00 -0.76 -0.75 119.26 121.93 1frw h ALA 188 Ca 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1frw h ALA 188 Cb 0.55 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1frw h ALA 188 CO -0.29 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.25 1frw h ARG 189 N 0.00 0.00 0.00 0.00 3.08 -0.42 -3.17 114.38 113.86 1frw h ARG 189 Ca -0.00 0.00 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1frw h ARG 189 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 1frw h ARG 189 CO 0.03 0.00 -1.86 0.91 -1.07 0.00 0.00 179.97 177.98 1frw n TRP 190 N -2.96 0.00 -1.60 3.04 7.02 -0.39 -5.02 117.44 117.54 1frw n TRP 190 Ca -0.00 0.00 -0.45 0.00 -1.02 0.00 0.00 57.50 56.03 1frw n TRP 190 Cb 0.22 -0.48 -0.02 0.00 -2.42 0.00 0.00 31.31 28.61 1frw n TRP 190 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1frw n GLN 191 N -2.21 1.41 0.00 -0.99 1.13 -0.58 -4.98 117.38 111.16 1frw n GLN 191 Ca -0.08 0.49 0.00 0.00 -1.94 0.00 0.00 57.00 55.47 1frw n GLN 191 Cb 0.58 -1.89 0.00 0.00 0.11 0.00 0.00 30.24 29.04 1frw n GLN 191 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71