#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fr9 h LEU 3 N 0.00 0.25 -1.33 3.41 3.38 -1.98 -2.03 115.31 117.02 1fr9 h LEU 3 Ca 0.00 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.19 1fr9 h LEU 3 Cb 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 40.66 40.62 1fr9 h LEU 3 CO 0.00 0.16 0.62 -0.03 0.09 0.00 0.00 178.44 179.28 1fr9 h MET 4 N 0.29 0.50 -0.46 1.13 4.05 -1.92 -1.46 114.93 117.05 1fr9 h MET 4 Ca 0.22 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.61 1fr9 h MET 4 Cb 0.51 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.20 1fr9 h MET 4 CO -0.05 0.33 0.00 0.25 0.23 0.00 0.00 176.91 177.67 1fr9 n THR 5 N -4.61 0.75 0.05 -0.77 -2.24 -0.77 -0.66 114.28 106.03 1fr9 n THR 5 Ca 0.22 -0.87 0.02 0.00 -2.27 0.00 0.00 64.05 61.15 1fr9 n THR 5 Cb 0.71 0.73 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1fr9 n THR 5 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1fr9 n THR 6 N 1.24 0.00 -4.88 4.28 -2.24 -0.59 -5.00 114.28 107.09 1fr9 n THR 6 Ca 0.18 -0.18 -0.33 0.00 -2.27 0.00 0.00 64.05 61.46 1fr9 n THR 6 Cb 0.54 0.56 -0.15 0.00 -2.10 0.00 0.00 70.33 69.18 1fr9 n THR 6 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fr9 s ILE 7 N -2.06 2.86 -0.13 2.28 1.01 -0.95 -4.06 121.20 120.15 1fr9 s ILE 7 Ca -0.01 -0.74 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 1fr9 s ILE 7 Cb 0.03 -2.17 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 1fr9 s ILE 7 CO 0.18 0.54 0.60 -0.89 0.00 0.00 0.00 174.94 175.36 1fr9 s THR 8 N 0.22 5.09 0.30 2.92 2.01 -0.14 -4.62 115.64 121.41 1fr9 s THR 8 Ca -0.10 1.18 -0.19 0.00 0.31 0.00 0.00 61.69 62.89 1fr9 s THR 8 Cb -0.16 -3.93 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1fr9 s THR 8 CO 0.06 0.22 0.80 -0.83 -0.69 0.00 0.00 174.62 174.18 1fr9 s GLY 9 N 0.89 2.52 -0.09 4.40 0.00 -0.38 -0.80 107.32 113.86 1fr9 s GLY 9 Ca 0.30 0.22 -0.03 0.00 0.00 0.00 0.00 44.72 45.21 1fr9 s GLY 9 CO 0.13 0.53 0.08 0.14 0.00 0.00 0.00 173.10 173.97 1fr9 s VAL 10 N -1.79 -0.12 -0.25 1.40 1.01 0.23 -0.87 120.40 120.01 1fr9 s VAL 10 Ca 0.51 0.21 -0.24 0.00 0.00 0.00 0.00 61.98 62.46 1fr9 s VAL 10 Cb -0.14 -0.31 -0.01 0.00 0.00 0.00 0.00 36.38 35.92 1fr9 s VAL 10 CO 0.19 0.01 0.81 -0.69 0.00 0.00 0.00 175.10 175.43 1fr9 s VAL 11 N 2.17 4.84 -0.77 2.92 1.01 -0.32 -1.31 120.40 128.94 1fr9 s VAL 11 Ca 0.04 1.50 -0.22 0.00 0.00 0.00 0.00 61.98 63.30 1fr9 s VAL 11 Cb -0.13 -4.11 0.08 0.00 0.00 0.00 0.00 36.38 32.22 1fr9 s VAL 11 CO -0.05 -0.09 1.10 -0.76 0.00 0.00 0.00 175.10 175.30 1fr9 s LEU 12 N 2.83 4.29 0.03 3.92 1.43 0.47 -0.61 118.68 131.04 1fr9 s LEU 12 Ca 0.34 -1.22 0.24 0.00 -1.03 0.00 0.00 54.13 52.46 1fr9 s LEU 12 Cb -0.15 -2.45 0.32 0.00 0.03 0.00 0.00 46.19 43.94 1fr9 s LEU 12 CO 0.08 -1.41 1.27 0.00 0.23 0.00 0.00 176.35 176.52 1fr9 n ALA 13 N 7.77 3.57 0.00 4.21 0.00 -0.12 -2.33 120.51 133.61 1fr9 n ALA 13 Ca 0.08 -0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.14 1fr9 n ALA 13 Cb 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1fr9 n ALA 13 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fr9 n GLY 14 N 1.45 3.89 3.96 0.00 0.00 -1.23 -4.92 105.19 108.35 1fr9 n GLY 14 Ca 0.04 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 44.97 1fr9 n GLY 14 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fr9 s GLY 15 N 0.00 1.70 -0.40 -0.02 0.00 -1.26 -2.82 107.32 104.52 1fr9 s GLY 15 Ca 0.00 -1.17 -0.28 0.00 0.00 0.00 0.00 44.72 43.28 1fr9 s GLY 15 CO 0.00 -0.93 2.34 0.28 0.00 0.00 0.00 173.10 174.79 1fr9 n LYS 16 N -2.26 1.35 0.00 2.90 5.02 -1.26 -4.93 118.16 118.98 1fr9 n LYS 16 Ca 0.05 0.22 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1fr9 n LYS 16 Cb 0.59 -3.22 0.00 0.00 -0.02 0.00 0.00 35.03 32.38 1fr9 n LYS 16 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1fr9 n VAL 23 N 7.84 0.00 -1.31 -0.18 3.14 -1.26 -5.12 118.33 121.44 1fr9 n VAL 23 Ca 0.36 0.00 -0.57 0.00 -2.96 0.00 0.00 64.34 61.17 1fr9 n VAL 23 Cb 0.46 0.00 -0.10 0.00 -1.06 0.00 0.00 33.84 33.14 1fr9 n VAL 23 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1fr9 n ASP 24 N 2.12 0.84 0.31 6.55 8.00 -1.26 -4.67 116.55 128.44 1fr9 n ASP 24 Ca 0.00 0.80 0.18 0.00 0.71 0.00 0.00 54.79 56.48 1fr9 n ASP 24 Cb 0.00 -0.80 1.00 0.00 -0.02 0.00 0.00 41.12 41.30 1fr9 n ASP 24 CO 0.00 0.00 0.00 0.07 -0.39 0.00 0.00 177.20 176.88 1fr9 h LYS 25 N 6.59 0.00 0.00 -1.24 2.10 -1.98 0.93 116.57 122.97 1fr9 h LYS 25 Ca -0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1fr9 h LYS 25 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 1fr9 h LYS 25 CO 0.94 0.01 0.00 0.41 -2.00 0.00 0.00 179.45 178.81 1fr9 n GLY 26 N -1.12 -0.70 0.06 0.07 0.00 -1.26 -1.43 105.19 100.81 1fr9 n GLY 26 Ca -0.03 0.07 0.13 0.00 0.00 0.00 0.00 46.02 46.20 1fr9 n GLY 26 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1fr9 n LEU 27 N -1.81 0.47 -4.77 0.99 4.77 0.32 -1.62 117.00 115.35 1fr9 n LEU 27 Ca -0.00 0.52 -0.38 0.00 -0.03 0.00 0.00 56.01 56.12 1fr9 n LEU 27 Cb 0.03 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 1fr9 n LEU 27 CO 0.05 -0.10 0.83 -0.76 -1.33 0.00 0.00 177.39 176.09 1fr9 s LEU 28 N -3.86 4.12 -0.04 2.23 1.43 -0.51 -4.66 118.68 117.39 1fr9 s LEU 28 Ca 0.12 2.32 -0.21 0.00 -1.03 0.00 0.00 54.13 55.33 1fr9 s LEU 28 Cb 0.15 -4.12 -0.05 0.00 0.03 0.00 0.00 46.19 42.21 1fr9 s LEU 28 CO 0.58 -0.77 0.59 -1.61 0.23 0.00 0.00 176.35 175.37 1fr9 s GLU 29 N -2.47 4.34 -0.22 1.70 8.01 -1.26 -0.90 118.70 127.90 1fr9 s GLU 29 Ca 0.60 0.71 -0.02 0.00 0.01 0.00 0.00 54.97 56.27 1fr9 s GLU 29 Cb -0.29 -3.38 0.01 0.00 -4.31 0.00 0.00 34.13 26.16 1fr9 s GLU 29 CO 0.36 0.26 -0.09 -1.17 0.01 0.00 0.00 175.26 174.64 1fr9 s LEU 30 N 0.18 2.83 -1.59 1.80 2.96 0.53 -4.66 118.68 120.72 1fr9 s LEU 30 Ca 0.31 -0.67 -0.16 0.00 -0.22 0.00 0.00 54.13 53.40 1fr9 s LEU 30 Cb -0.17 -1.64 0.12 0.00 0.50 0.00 0.00 46.19 44.99 1fr9 s LEU 30 CO 0.16 -0.06 0.89 0.59 -1.32 0.00 0.00 176.35 176.61 1fr9 n ASN 31 N 4.69 -4.24 0.00 3.68 3.02 -1.26 -1.76 115.26 119.40 1fr9 n ASN 31 Ca -0.18 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.52 1fr9 n ASN 31 Cb 0.49 -3.41 0.00 0.00 -0.61 0.00 0.00 39.78 36.25 1fr9 n ASN 31 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1fr9 n GLY 32 N -1.55 1.14 3.07 7.41 0.00 -1.26 -5.02 105.19 108.98 1fr9 n GLY 32 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1fr9 n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1fr9 s LYS 33 N -0.35 2.05 0.29 1.61 2.20 -0.72 -5.00 119.74 119.82 1fr9 s LYS 33 Ca 0.00 -0.53 -0.29 0.00 -0.36 0.00 0.00 55.97 54.79 1fr9 s LYS 33 Cb 0.00 -1.66 -0.13 0.00 -1.51 0.00 0.00 37.83 34.53 1fr9 s LYS 33 CO 0.00 0.05 1.32 -2.30 -0.36 0.00 0.00 175.35 174.06 1fr9 n PRO 34 N 3.81 2.03 -0.30 4.03 -0.02 -1.26 -0.34 135.00 142.94 1fr9 n PRO 34 Ca -0.21 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.11 1fr9 n PRO 34 Cb 0.52 -2.31 0.29 0.00 -0.02 0.00 0.00 33.50 31.97 1fr9 n PRO 34 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1fr9 h LEU 35 N 3.23 0.03 -1.28 2.45 3.38 -0.75 -0.21 115.31 122.17 1fr9 h LEU 35 Ca -0.45 0.19 -0.08 0.00 0.09 0.00 0.00 57.88 57.63 1fr9 h LEU 35 Cb 1.28 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 42.27 1fr9 h LEU 35 CO 0.68 -0.14 -0.36 4.11 0.09 0.00 0.00 178.44 182.82 1fr9 h TRP 36 N 0.23 0.00 0.00 1.13 5.08 -1.24 -1.63 115.95 119.52 1fr9 h TRP 36 Ca 0.55 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 60.37 1fr9 h TRP 36 Cb 1.09 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.23 1fr9 h TRP 36 CO -0.25 0.36 -0.71 0.37 -1.28 0.00 0.00 178.44 176.93 1fr9 h GLN 37 N 0.00 0.00 -0.16 0.12 5.75 -1.32 -0.41 115.11 119.08 1fr9 h GLN 37 Ca -0.00 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.54 1fr9 h GLN 37 Cb 0.64 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 1fr9 h GLN 37 CO 0.05 0.71 -0.10 0.45 -2.65 0.00 0.00 178.83 177.29 1fr9 h HIS 38 N 0.00 -0.23 -0.02 3.99 3.86 -0.79 0.14 115.15 122.10 1fr9 h HIS 38 Ca -0.01 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.22 1fr9 h HIS 38 Cb 1.40 0.13 -0.00 0.00 1.06 0.00 0.00 27.41 30.00 1fr9 h HIS 38 CO 0.00 -0.15 0.01 0.28 0.86 0.00 0.00 177.93 178.93 1fr9 h VAL 39 N -0.09 1.15 -0.68 2.45 2.07 -1.25 -1.51 116.25 118.39 1fr9 h VAL 39 Ca 0.09 -0.45 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1fr9 h VAL 39 Cb 0.23 1.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.37 1fr9 h VAL 39 CO -0.22 0.12 0.41 0.00 0.02 0.00 0.00 177.57 177.90 1fr9 h ALA 40 N 0.82 0.90 -0.65 1.67 0.00 -0.93 0.09 119.26 121.17 1fr9 h ALA 40 Ca 0.01 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1fr9 h ALA 40 Cb 0.19 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1fr9 h ALA 40 CO -0.00 0.14 0.14 -0.44 0.00 0.00 0.00 179.25 179.09 1fr9 h ASP 41 N 0.78 1.00 -0.42 0.00 3.32 -0.65 0.90 116.42 121.35 1fr9 h ASP 41 Ca 0.29 -0.24 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1fr9 h ASP 41 Cb 0.09 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1fr9 h ASP 41 CO -0.14 0.98 0.18 0.00 -1.72 0.00 0.00 179.24 178.54 1fr9 h ALA 42 N 1.05 0.55 -0.56 3.45 0.00 -0.80 -1.66 119.26 121.29 1fr9 h ALA 42 Ca 0.20 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1fr9 h ALA 42 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1fr9 h ALA 42 CO 0.01 0.13 0.11 -0.07 0.00 0.00 0.00 179.25 179.42 1fr9 h LEU 43 N 0.54 0.82 -1.27 0.00 3.38 -0.57 -2.91 115.31 115.30 1fr9 h LEU 43 Ca 0.14 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1fr9 h LEU 43 Cb 0.16 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1fr9 h LEU 43 CO -0.01 0.82 -0.08 0.24 0.09 0.00 0.00 178.44 179.50 1fr9 h MET 44 N 0.84 0.00 -0.07 1.13 2.86 -0.50 0.97 114.93 120.17 1fr9 h MET 44 Ca 0.18 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.69 1fr9 h MET 44 Cb 0.35 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 1fr9 h MET 44 CO 0.00 0.08 -0.53 1.15 1.06 0.00 0.00 176.91 178.67 1fr9 h THR 45 N 0.00 1.36 0.00 2.22 2.02 -1.10 -3.30 112.91 114.11 1fr9 h THR 45 Ca -0.00 -1.80 -0.05 0.00 0.77 0.00 0.00 66.41 65.33 1fr9 h THR 45 Cb 0.62 1.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.91 1fr9 h THR 45 CO 0.01 0.53 -1.86 0.00 0.37 0.00 0.00 175.52 174.57 1fr9 n GLN 46 N -3.93 0.65 -4.17 6.66 6.02 -0.76 -4.99 117.38 116.87 1fr9 n GLN 46 Ca -0.02 -0.11 -0.16 0.00 -0.01 0.00 0.00 57.00 56.70 1fr9 n GLN 46 Cb 0.56 -1.58 -0.15 0.00 1.02 0.00 0.00 30.24 30.09 1fr9 n GLN 46 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1fr9 s LEU 47 N -4.82 1.96 0.07 1.08 1.43 0.26 -4.04 118.68 114.62 1fr9 s LEU 47 Ca -0.07 -0.10 -0.18 0.00 -1.03 0.00 0.00 54.13 52.75 1fr9 s LEU 47 Cb 0.12 -0.29 -0.12 0.00 0.03 0.00 0.00 46.19 45.93 1fr9 s LEU 47 CO 0.88 0.06 1.37 0.28 0.23 0.00 0.00 176.35 179.17 1fr9 h SER 48 N 6.09 0.55 -3.25 2.29 0.02 -1.15 -3.39 113.55 114.72 1fr9 h SER 48 Ca -0.29 -0.49 -0.66 0.00 -0.84 0.00 0.00 61.79 59.51 1fr9 h SER 48 Cb 1.19 -0.16 -0.31 0.00 0.14 0.00 0.00 62.40 63.26 1fr9 h SER 48 CO 0.50 0.93 -0.78 -2.28 -1.14 0.00 0.00 176.83 174.05 1fr9 s HIS 49 N -4.29 2.88 -0.02 3.45 5.65 -1.26 -5.05 115.29 116.64 1fr9 s HIS 49 Ca -0.13 -1.25 0.01 0.00 0.25 0.00 0.00 55.06 53.93 1fr9 s HIS 49 Cb 0.07 -2.02 0.02 0.00 -1.18 0.00 0.00 32.58 29.46 1fr9 s HIS 49 CO 0.79 -0.66 -0.01 0.08 -0.65 0.00 0.00 174.74 174.29 1fr9 s VAL 50 N 1.39 0.19 0.32 0.89 1.01 -1.26 -1.25 120.40 121.69 1fr9 s VAL 50 Ca 0.05 0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1fr9 s VAL 50 Cb -0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 36.38 35.93 1fr9 s VAL 50 CO -0.08 0.13 -0.01 0.68 0.00 0.00 0.00 175.10 175.82 1fr9 s VAL 51 N 0.76 1.58 -0.07 2.92 -7.23 -0.05 -4.36 120.40 113.94 1fr9 s VAL 51 Ca -0.08 -2.06 0.04 0.00 -1.81 0.00 0.00 61.98 58.07 1fr9 s VAL 51 Cb -0.11 -2.67 0.00 0.00 0.56 0.00 0.00 36.38 34.17 1fr9 s VAL 51 CO -0.01 -0.14 -0.20 -0.69 -0.31 0.00 0.00 175.10 173.75 1fr9 s VAL 52 N -3.04 1.68 -0.39 1.32 1.01 -0.27 -1.18 120.40 119.54 1fr9 s VAL 52 Ca 0.33 -0.82 -0.20 0.00 0.00 0.00 0.00 61.98 61.29 1fr9 s VAL 52 Cb 0.06 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.99 1fr9 s VAL 52 CO 0.14 0.48 0.60 0.21 0.00 0.00 0.00 175.10 176.53 1fr9 s ASN 53 N 0.28 6.34 -0.02 3.32 2.47 0.22 -0.37 114.94 127.18 1fr9 s ASN 53 Ca -0.12 -0.15 -0.08 0.00 0.42 0.00 0.00 52.86 52.93 1fr9 s ASN 53 Cb -0.15 -2.30 0.01 0.00 -1.45 0.00 0.00 41.25 37.35 1fr9 s ASN 53 CO 0.05 -0.64 0.18 0.00 -3.72 0.00 0.00 177.10 172.97 1fr9 s ALA 54 N 2.64 -0.43 0.00 1.71 0.00 -0.80 -0.94 121.76 123.94 1fr9 s ALA 54 Ca 0.21 0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.26 1fr9 s ALA 54 Cb -0.15 0.01 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1fr9 s ALA 54 CO 0.16 -0.19 0.44 0.09 0.00 0.00 0.00 175.76 176.25 1fr9 n ASN 55 N 1.75 0.79 -4.00 0.00 3.02 -1.13 -4.01 115.26 111.68 1fr9 n ASN 55 Ca -0.20 -1.15 -0.08 0.00 -0.03 0.00 0.00 54.58 53.12 1fr9 n ASN 55 Cb 0.56 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.63 1fr9 n ASN 55 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1fr9 s ARG 56 N -0.15 0.55 -1.34 3.52 0.52 -1.26 -4.89 118.95 115.90 1fr9 s ARG 56 Ca 0.00 -0.93 -0.00 0.00 -0.52 0.00 0.00 55.73 54.27 1fr9 s ARG 56 Cb 0.00 0.20 0.00 0.00 0.52 0.00 0.00 34.95 35.67 1fr9 s ARG 56 CO 0.00 -0.12 0.03 0.72 0.02 0.00 0.00 175.30 175.96 1fr9 n HIS 57 N 0.62 -1.29 -0.32 -0.53 8.25 -1.26 -4.83 115.22 115.85 1fr9 n HIS 57 Ca -0.18 0.03 0.08 0.00 -0.26 0.00 0.00 57.72 57.39 1fr9 n HIS 57 Cb 0.59 -3.26 0.24 0.00 1.12 0.00 0.00 29.99 28.68 1fr9 n HIS 57 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1fr9 h GLN 58 N -0.07 0.73 -0.56 -0.41 7.50 -1.92 -0.25 115.11 120.14 1fr9 h GLN 58 Ca -0.38 -0.04 0.04 0.00 0.50 0.00 0.00 58.65 58.77 1fr9 h GLN 58 Cb 1.28 -0.16 -0.03 0.00 0.05 0.00 0.00 27.48 28.61 1fr9 h GLN 58 CO 0.44 0.48 0.37 1.49 -1.50 0.00 0.00 178.83 180.12 1fr9 h GLU 59 N 0.75 0.59 -0.17 1.46 4.81 -1.98 -0.23 114.58 119.81 1fr9 h GLU 59 Ca 0.48 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1fr9 h GLU 59 Cb 0.62 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.87 1fr9 h GLU 59 CO -0.33 0.39 -0.02 0.82 -0.73 0.00 0.00 179.01 179.14 1fr9 h ILE 60 N 0.61 1.28 -0.29 2.32 2.04 -1.41 -0.57 117.51 121.48 1fr9 h ILE 60 Ca 0.23 -0.94 -0.04 0.00 1.00 0.00 0.00 64.86 65.11 1fr9 h ILE 60 Cb 0.15 1.57 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1fr9 h ILE 60 CO -0.06 0.28 0.03 1.88 0.00 0.00 0.00 178.15 180.28 1fr9 h TYR 61 N 0.03 0.53 -0.29 1.37 -1.99 -1.36 -2.82 116.97 112.44 1fr9 h TYR 61 Ca 0.04 -0.08 -0.03 0.00 2.00 0.00 0.00 58.73 60.66 1fr9 h TYR 61 Cb 0.44 -0.14 -0.02 0.00 2.00 0.00 0.00 36.73 39.01 1fr9 h TYR 61 CO 0.05 0.61 0.05 0.37 -0.00 0.00 0.00 178.16 179.23 1fr9 h GLN 62 N 0.30 0.42 0.00 4.88 4.15 -1.03 -2.52 115.11 121.32 1fr9 h GLN 62 Ca 0.09 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.44 1fr9 h GLN 62 Cb 0.38 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.00 1fr9 h GLN 62 CO 0.01 0.41 0.00 0.00 -1.93 0.00 0.00 178.83 177.32 1fr9 h ALA 63 N 1.64 1.00 -0.05 3.38 0.00 -0.82 -0.69 119.26 123.72 1fr9 h ALA 63 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1fr9 h ALA 63 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1fr9 h ALA 63 CO -0.00 0.00 0.00 0.43 0.00 0.00 0.00 179.25 179.68 1fr9 n SER 64 N -2.72 0.67 0.00 0.00 7.64 -0.95 -4.88 113.62 113.39 1fr9 n SER 64 Ca -0.01 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.44 1fr9 n SER 64 Cb 0.13 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.31 1fr9 n SER 64 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1fr9 n GLY 65 N 0.98 0.86 3.51 0.23 0.00 -0.27 -5.07 105.19 105.44 1fr9 n GLY 65 Ca 0.17 -0.18 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1fr9 n GLY 65 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1fr9 s LEU 66 N 0.00 2.94 0.22 0.99 1.43 -1.21 -5.08 118.68 117.96 1fr9 s LEU 66 Ca 0.00 -0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 52.67 1fr9 s LEU 66 Cb 0.00 -1.63 -0.09 0.00 0.03 0.00 0.00 46.19 44.50 1fr9 s LEU 66 CO 0.00 0.32 1.18 -0.75 0.23 0.00 0.00 176.35 177.33 1fr9 s LYS 67 N -0.57 4.52 -0.19 1.70 2.20 -1.26 -4.03 119.74 122.11 1fr9 s LYS 67 Ca 0.08 1.88 -0.06 0.00 -0.36 0.00 0.00 55.97 57.51 1fr9 s LYS 67 Cb -0.12 -3.22 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 1fr9 s LYS 67 CO 0.02 -0.02 0.02 0.08 -0.36 0.00 0.00 175.35 175.08 1fr9 s VAL 68 N -0.40 4.24 -0.26 4.02 1.01 -1.26 -1.11 120.40 126.64 1fr9 s VAL 68 Ca 0.50 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.18 1fr9 s VAL 68 Cb -0.33 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.13 1fr9 s VAL 68 CO 0.39 0.45 0.08 -0.63 0.00 0.00 0.00 175.10 175.39 1fr9 s ILE 69 N 0.67 4.30 0.29 2.22 1.01 0.50 -4.97 121.20 125.22 1fr9 s ILE 69 Ca 0.01 -0.27 -0.07 0.00 0.00 0.00 0.00 60.65 60.32 1fr9 s ILE 69 Cb -0.14 -3.06 -0.06 0.00 0.01 0.00 0.00 42.46 39.21 1fr9 s ILE 69 CO 0.02 0.27 0.58 -1.61 0.00 0.00 0.00 174.94 174.20 1fr9 s GLU 70 N 1.60 3.68 1.01 2.79 2.02 -1.26 -1.90 118.70 126.65 1fr9 s GLU 70 Ca 0.06 0.12 -0.12 0.00 0.02 0.00 0.00 54.97 55.05 1fr9 s GLU 70 Cb -0.16 -2.61 0.19 0.00 0.10 0.00 0.00 34.13 31.66 1fr9 s GLU 70 CO 0.04 0.20 1.08 -0.51 0.02 0.00 0.00 175.26 176.09 1fr9 s ASP 71 N -3.01 2.32 0.00 -0.19 1.11 -1.26 -4.88 116.67 110.77 1fr9 s ASP 71 Ca 0.46 1.71 0.00 0.00 0.18 0.00 0.00 52.55 54.90 1fr9 s ASP 71 Cb -0.11 -2.34 0.00 0.00 1.07 0.00 0.00 42.92 41.54 1fr9 s ASP 71 CO 0.28 -3.40 0.00 -1.20 1.18 0.00 0.00 175.17 172.04 1fr9 n SER 72 N -4.40 0.00 0.00 0.27 7.64 -1.26 -4.93 113.62 110.94 1fr9 n SER 72 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1fr9 n SER 72 Cb 0.54 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.74 1fr9 n SER 72 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1fr9 n LEU 73 N 0.00 0.00 -0.27 -3.43 4.77 -1.26 -4.61 117.00 112.20 1fr9 n LEU 73 Ca 0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 1fr9 n LEU 73 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1fr9 n LEU 73 CO 0.00 0.00 0.42 0.00 -1.33 0.00 0.00 177.39 176.48 1fr9 n ALA 74 N 0.00 2.35 -2.68 -1.18 0.00 -1.26 -5.01 120.51 112.73 1fr9 n ALA 74 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 1fr9 n ALA 74 Cb 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 19.45 19.26 1fr9 n ALA 74 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1fr9 n ASP 75 N 0.23 -3.23 -4.79 0.00 -0.08 -1.26 -5.01 116.55 102.41 1fr9 n ASP 75 Ca 0.04 -0.13 -0.32 0.00 -1.51 0.00 0.00 54.79 52.87 1fr9 n ASP 75 Cb 0.22 -1.96 0.03 0.00 2.34 0.00 0.00 41.12 41.75 1fr9 n ASP 75 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1fr9 s TYR 76 N -2.92 2.87 0.21 -0.67 4.12 -1.26 -5.03 117.35 114.67 1fr9 s TYR 76 Ca 0.15 1.51 -0.11 0.00 0.02 0.00 0.00 57.07 58.64 1fr9 s TYR 76 Cb -0.06 -3.04 -0.07 0.00 -1.52 0.00 0.00 41.96 37.27 1fr9 s TYR 76 CO 0.18 -1.34 0.56 -1.25 0.02 0.00 0.00 175.55 173.71 1fr9 s PRO 77 N -4.27 3.86 0.55 -1.71 0.04 -1.26 -4.79 135.00 127.43 1fr9 s PRO 77 Ca 0.64 0.36 0.00 0.00 0.04 0.00 0.00 61.00 62.03 1fr9 s PRO 77 Cb -0.17 -2.73 0.00 0.00 0.04 0.00 0.00 34.50 31.64 1fr9 s PRO 77 CO 0.42 0.36 0.00 0.41 0.04 0.00 0.00 177.00 178.23 1fr9 n GLY 78 N 0.16 -2.08 0.31 0.56 0.00 -1.26 -3.88 105.19 98.99 1fr9 n GLY 78 Ca -0.01 -1.43 0.07 0.00 0.00 0.00 0.00 46.02 44.65 1fr9 n GLY 78 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1fr9 h PRO 79 N 0.00 0.40 -0.72 1.61 0.11 -1.96 -2.13 132.00 129.31 1fr9 h PRO 79 Ca 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1fr9 h PRO 79 Cb 0.11 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.10 1fr9 h PRO 79 CO 0.00 0.27 0.36 -0.07 -0.21 0.00 0.00 178.00 178.35 1fr9 h LEU 80 N 0.41 0.92 -0.77 2.35 3.38 -1.88 -1.24 115.31 118.49 1fr9 h LEU 80 Ca 0.16 -0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.09 1fr9 h LEU 80 Cb 0.11 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.57 1fr9 h LEU 80 CO -0.04 0.77 0.46 0.00 0.09 0.00 0.00 178.44 179.72 1fr9 h ALA 81 N 1.38 1.05 -0.45 1.53 0.00 -1.49 0.18 119.26 121.45 1fr9 h ALA 81 Ca 0.25 0.00 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1fr9 h ALA 81 Cb 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1fr9 h ALA 81 CO -0.04 0.17 -0.10 0.78 0.00 0.00 0.00 179.25 180.06 1fr9 h GLY 82 N 0.84 0.94 0.87 0.00 0.00 -1.39 -0.81 103.07 103.53 1fr9 h GLY 82 Ca 0.34 -0.77 0.02 0.00 0.00 0.00 0.00 47.33 46.92 1fr9 h GLY 82 CO -0.18 0.71 0.26 -0.33 0.00 0.00 0.00 176.54 177.00 1fr9 h MET 83 N 0.71 0.51 -0.49 4.80 2.07 -0.63 -0.94 114.93 120.95 1fr9 h MET 83 Ca 0.12 -0.03 -0.12 0.00 -2.07 0.00 0.00 59.70 57.60 1fr9 h MET 83 Cb 0.64 -0.11 -0.01 0.00 -1.87 0.00 0.00 31.60 30.24 1fr9 h MET 83 CO 0.04 0.34 -0.16 1.25 1.07 0.00 0.00 176.91 179.45 1fr9 h LEU 84 N 0.52 0.99 -0.72 1.22 5.85 -0.84 -1.63 115.31 120.70 1fr9 h LEU 84 Ca 0.18 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.60 1fr9 h LEU 84 Cb 0.03 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 40.72 1fr9 h LEU 84 CO -0.09 1.14 0.39 0.28 -0.34 0.00 0.00 178.44 179.82 1fr9 h SER 85 N 0.83 0.56 -0.37 1.25 0.02 -0.79 -0.02 113.55 115.03 1fr9 h SER 85 Ca 0.12 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 1fr9 h SER 85 Cb 0.73 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.19 1fr9 h SER 85 CO 0.06 0.34 0.03 0.58 -1.14 0.00 0.00 176.83 176.70 1fr9 h VAL 86 N 0.69 1.25 -0.38 2.27 2.07 -0.95 -2.08 116.25 119.12 1fr9 h VAL 86 Ca 0.34 -0.92 -0.06 0.00 0.82 0.00 0.00 66.70 66.88 1fr9 h VAL 86 Cb 0.28 1.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1fr9 h VAL 86 CO -0.22 0.31 -0.00 0.24 0.02 0.00 0.00 177.57 177.92 1fr9 h MET 87 N 0.46 0.60 0.00 1.57 2.07 -0.74 -0.80 114.93 118.08 1fr9 h MET 87 Ca 0.11 -0.14 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1fr9 h MET 87 Cb 0.41 -0.08 -0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1fr9 h MET 87 CO 0.01 0.62 -0.05 1.96 1.07 0.00 0.00 176.91 180.53 1fr9 h GLN 88 N 0.57 0.00 -0.00 1.72 4.20 -0.77 -3.31 115.11 117.50 1fr9 h GLN 88 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 1fr9 h GLN 88 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 1fr9 h GLN 88 CO 0.01 0.05 -0.00 1.04 -0.67 0.00 0.00 178.83 179.26 1fr9 n GLN 89 N -3.17 -0.35 -4.45 1.46 6.02 -0.80 -4.99 117.38 111.09 1fr9 n GLN 89 Ca 0.00 -0.72 -0.20 0.00 -0.01 0.00 0.00 57.00 56.07 1fr9 n GLN 89 Cb 0.32 -1.07 -0.14 0.00 1.02 0.00 0.00 30.24 30.37 1fr9 n GLN 89 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1fr9 s GLU 90 N -0.34 0.95 0.01 -1.09 0.41 -0.37 -5.05 118.70 113.21 1fr9 s GLU 90 Ca 0.05 -0.56 0.26 0.00 -0.41 0.00 0.00 54.97 54.31 1fr9 s GLU 90 Cb 0.03 -0.92 0.68 0.00 -1.78 0.00 0.00 34.13 32.14 1fr9 s GLU 90 CO 0.05 0.24 1.54 0.00 -0.49 0.00 0.00 175.26 176.60 1fr9 n ALA 91 N 2.43 3.22 -0.53 5.21 0.00 -1.26 -4.72 120.51 124.86 1fr9 n ALA 91 Ca -0.16 -0.28 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 1fr9 n ALA 91 Cb 0.55 -1.21 0.23 0.00 0.00 0.00 0.00 19.45 19.03 1fr9 n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fr9 n GLY 92 N 1.49 -1.56 0.13 0.00 0.00 -1.26 -4.93 105.19 99.06 1fr9 n GLY 92 Ca 0.06 -1.04 -0.16 0.00 0.00 0.00 0.00 46.02 44.88 1fr9 n GLY 92 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1fr9 h GLU 93 N -2.47 0.36 -5.86 1.61 4.81 -1.94 -3.43 114.58 107.65 1fr9 h GLU 93 Ca -0.56 -0.50 -0.57 0.00 -0.13 0.00 0.00 59.36 57.60 1fr9 h GLU 93 Cb 1.32 0.17 -0.28 0.00 0.63 0.00 0.00 28.75 30.58 1fr9 h GLU 93 CO 0.47 1.19 -0.84 -1.58 -0.73 0.00 0.00 179.01 177.52 1fr9 s TRP 94 N -2.92 1.70 -0.02 0.92 0.52 -1.26 -0.10 118.94 117.77 1fr9 s TRP 94 Ca -0.05 -0.33 0.04 0.00 0.02 0.00 0.00 56.10 55.77 1fr9 s TRP 94 Cb 0.08 -1.07 -0.01 0.00 -1.15 0.00 0.00 33.47 31.32 1fr9 s TRP 94 CO 0.88 -0.00 -0.13 -0.06 0.02 0.00 0.00 176.95 177.66 1fr9 s PHE 95 N -0.53 1.25 -0.35 -1.98 0.40 -0.20 -0.97 117.98 115.59 1fr9 s PHE 95 Ca 0.07 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.11 1fr9 s PHE 95 Cb -0.08 -0.82 0.08 0.00 0.51 0.00 0.00 43.02 42.71 1fr9 s PHE 95 CO -0.00 -0.06 0.09 -1.17 0.70 0.00 0.00 175.22 174.78 1fr9 s LEU 96 N -0.16 4.53 0.21 -0.37 2.96 0.02 -0.15 118.68 125.71 1fr9 s LEU 96 Ca 0.02 -1.63 -0.14 0.00 -0.22 0.00 0.00 54.13 52.16 1fr9 s LEU 96 Cb -0.07 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.78 1fr9 s LEU 96 CO 0.00 -0.39 0.60 -0.36 -1.32 0.00 0.00 176.35 174.89 1fr9 s PHE 97 N 1.19 3.53 -0.19 5.38 0.40 -0.21 -0.60 117.98 127.48 1fr9 s PHE 97 Ca 0.02 1.08 -0.15 0.00 -0.60 0.00 0.00 56.93 57.27 1fr9 s PHE 97 Cb -0.21 -2.40 0.05 0.00 0.51 0.00 0.00 43.02 40.97 1fr9 s PHE 97 CO -0.03 0.32 0.49 0.00 0.70 0.00 0.00 175.22 176.71 1fr9 s PRO 99 N 0.58 0.95 0.00 0.00 0.04 -1.26 -0.39 135.00 134.93 1fr9 s PRO 99 Ca -0.03 0.81 0.21 0.00 0.04 0.00 0.00 61.00 62.04 1fr9 s PRO 99 Cb -0.05 -1.77 0.97 0.00 0.04 0.00 0.00 34.50 33.69 1fr9 s PRO 99 CO -0.03 -2.45 1.69 0.00 0.04 0.00 0.00 177.00 176.25 1fr9 n ASP 101 N -1.43 2.62 -3.66 0.00 5.75 -1.26 -3.10 116.55 115.46 1fr9 n ASP 101 Ca 0.07 -3.15 -0.28 0.00 -0.01 0.00 0.00 54.79 51.42 1fr9 n ASP 101 Cb 0.22 -0.47 -0.10 0.00 -1.03 0.00 0.00 41.12 39.75 1fr9 n ASP 101 CO 0.00 0.00 0.00 0.35 -0.11 0.00 0.00 177.20 177.44 1fr9 n THR 102 N -1.22 2.14 0.44 2.12 -2.24 -1.25 -0.74 114.28 113.51 1fr9 n THR 102 Ca 0.18 -5.09 0.12 0.00 -2.27 0.00 0.00 64.05 56.99 1fr9 n THR 102 Cb 0.71 -2.15 0.47 0.00 -2.10 0.00 0.00 70.33 67.26 1fr9 n THR 102 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 1fr9 n PRO 103 N 1.38 0.19 -0.72 -0.78 -0.04 -1.26 -3.23 135.00 130.54 1fr9 n PRO 103 Ca 0.25 0.38 0.08 0.00 -0.04 0.00 0.00 63.50 64.18 1fr9 n PRO 103 Cb 0.38 -1.84 0.37 0.00 -0.04 0.00 0.00 33.50 32.37 1fr9 n PRO 103 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1fr9 n TYR 104 N -2.20 1.68 -1.62 0.54 0.53 -1.25 -4.54 117.16 110.30 1fr9 n TYR 104 Ca 0.03 -0.69 -0.43 0.00 -1.02 0.00 0.00 57.90 55.79 1fr9 n TYR 104 Cb 0.25 -0.37 -0.00 0.00 -1.03 0.00 0.00 39.34 38.19 1fr9 n TYR 104 CO 0.00 0.00 0.00 0.44 -1.02 0.00 0.00 176.86 176.28 1fr9 n ILE 105 N 0.73 2.18 -1.84 -0.72 -5.35 -0.95 -4.57 119.36 108.83 1fr9 n ILE 105 Ca 0.26 -0.50 -0.31 0.00 -0.27 0.00 0.00 62.75 61.93 1fr9 n ILE 105 Cb 1.02 -1.19 0.02 0.00 -1.74 0.00 0.00 39.64 37.75 1fr9 n ILE 105 CO 0.00 0.00 0.00 -2.16 -1.76 0.00 0.00 176.55 172.63 1fr9 s PRO 106 N -1.82 3.39 0.21 6.28 0.04 -1.26 -4.95 135.00 136.88 1fr9 s PRO 106 Ca 0.60 0.88 0.22 0.00 0.04 0.00 0.00 61.00 62.74 1fr9 s PRO 106 Cb -0.61 -2.05 0.91 0.00 0.04 0.00 0.00 34.50 32.79 1fr9 s PRO 106 CO 0.59 -0.74 1.68 -0.35 0.04 0.00 0.00 177.00 178.23 1fr9 n PRO 107 N -2.69 0.17 -0.55 0.56 -0.04 -1.26 -2.39 135.00 128.79 1fr9 n PRO 107 Ca 0.07 0.37 0.06 0.00 -0.04 0.00 0.00 63.50 63.95 1fr9 n PRO 107 Cb 0.54 -1.80 0.26 0.00 -0.04 0.00 0.00 33.50 32.45 1fr9 n PRO 107 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1fr9 n ASP 108 N -2.11 3.75 0.15 3.54 5.75 -1.26 -4.78 116.55 121.60 1fr9 n ASP 108 Ca 0.03 -3.15 -0.15 0.00 -0.01 0.00 0.00 54.79 51.51 1fr9 n ASP 108 Cb 0.24 -0.58 -0.07 0.00 -1.03 0.00 0.00 41.12 39.68 1fr9 n ASP 108 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1fr9 h LEU 109 N 1.75 -1.12 -0.43 -2.12 5.85 -1.86 -0.20 115.31 117.19 1fr9 h LEU 109 Ca 0.05 0.12 -0.03 0.00 0.84 0.00 0.00 57.88 58.86 1fr9 h LEU 109 Cb 1.55 0.41 -0.02 0.00 0.37 0.00 0.00 40.66 42.97 1fr9 h LEU 109 CO 0.29 -0.49 0.16 0.00 -0.34 0.00 0.00 178.44 178.07 1fr9 h ALA 110 N -0.18 0.56 -0.35 1.25 0.00 -1.86 -1.52 119.26 117.15 1fr9 h ALA 110 Ca 0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1fr9 h ALA 110 Cb 0.67 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 1fr9 h ALA 110 CO -0.18 0.17 0.13 0.00 0.00 0.00 0.00 179.25 179.37 1fr9 h ALA 111 N 1.01 0.46 -0.27 0.00 0.00 -1.86 0.42 119.26 119.02 1fr9 h ALA 111 Ca 0.14 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1fr9 h ALA 111 Cb 0.21 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1fr9 h ALA 111 CO -0.01 0.07 -0.19 -0.09 0.00 0.00 0.00 179.25 179.03 1fr9 h ARG 112 N 0.42 0.60 -0.25 0.00 2.43 -0.99 0.19 114.38 116.78 1fr9 h ARG 112 Ca 0.12 -0.29 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1fr9 h ARG 112 Cb 0.21 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 1fr9 h ARG 112 CO -0.01 0.88 0.09 -0.07 -1.51 0.00 0.00 179.97 179.35 1fr9 h LEU 113 N 0.33 0.10 -0.68 3.80 3.38 -1.22 -1.69 115.31 119.33 1fr9 h LEU 113 Ca 0.05 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 1fr9 h LEU 113 Cb 0.73 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.47 1fr9 h LEU 113 CO 0.05 0.09 0.16 -1.13 0.09 0.00 0.00 178.44 177.71 1fr9 h ASN 114 N 0.21 1.04 -0.07 -0.43 -1.24 -0.65 -2.48 115.58 111.96 1fr9 h ASN 114 Ca 0.11 -0.23 -0.05 0.00 0.71 0.00 0.00 56.30 56.84 1fr9 h ASN 114 Cb 0.08 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.84 1fr9 h ASN 114 CO -0.11 1.00 -0.08 -0.74 -1.29 0.00 0.00 177.43 176.21 1fr9 h HIS 115 N 1.02 0.35 -0.59 0.67 2.76 -0.31 -2.67 115.15 116.39 1fr9 h HIS 115 Ca 0.21 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1fr9 h HIS 115 Cb 0.37 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.23 1fr9 h HIS 115 CO 0.03 0.42 0.00 1.04 -1.30 0.00 0.00 177.93 178.12 1fr9 n GLN 116 N -4.28 2.36 0.14 5.26 1.13 -0.66 -4.35 117.38 116.97 1fr9 n GLN 116 Ca 0.00 -2.11 -0.00 0.00 -1.94 0.00 0.00 57.00 52.95 1fr9 n GLN 116 Cb 0.26 -1.46 0.27 0.00 0.11 0.00 0.00 30.24 29.42 1fr9 n GLN 116 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1fr9 h ARG 117 N 3.44 0.09 -6.08 -1.09 3.08 -1.08 -3.47 114.38 109.29 1fr9 h ARG 117 Ca 0.00 -0.04 -0.43 0.00 0.07 0.00 0.00 59.98 59.57 1fr9 h ARG 117 Cb 0.79 -0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.89 1fr9 h ARG 117 CO 0.00 0.51 -0.73 1.63 -1.07 0.00 0.00 179.97 180.31 1fr9 n LYS 118 N -4.01 -6.54 -1.05 0.04 5.02 -1.26 -1.49 118.16 108.87 1fr9 n LYS 118 Ca -0.02 0.70 -0.02 0.00 -2.02 0.00 0.00 58.31 56.96 1fr9 n LYS 118 Cb 0.47 -5.65 -0.01 0.00 -0.02 0.00 0.00 35.03 29.83 1fr9 n LYS 118 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1fr9 n ASP 119 N -2.94 -5.24 -4.81 4.39 8.00 -1.26 -5.00 116.55 109.70 1fr9 n ASP 119 Ca -0.01 0.04 -0.33 0.00 0.71 0.00 0.00 54.79 55.20 1fr9 n ASP 119 Cb 0.56 -2.88 -0.03 0.00 -0.02 0.00 0.00 41.12 38.74 1fr9 n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fr9 s ALA 120 N -1.38 2.92 -1.34 2.24 0.00 -0.56 -4.97 121.76 118.67 1fr9 s ALA 120 Ca 0.00 0.45 0.28 0.00 0.00 0.00 0.00 51.96 52.69 1fr9 s ALA 120 Cb 0.00 -3.20 1.16 0.00 0.00 0.00 0.00 23.12 21.08 1fr9 s ALA 120 CO 0.00 -0.29 1.84 -0.35 0.00 0.00 0.00 175.76 176.96 1fr9 n PRO 121 N -1.19 0.36 -3.69 0.00 -0.04 -1.26 -4.85 135.00 124.33 1fr9 n PRO 121 Ca 0.08 -0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.30 1fr9 n PRO 121 Cb 0.53 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1fr9 n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1fr9 s VAL 122 N -2.71 0.01 0.02 0.52 0.11 -1.26 -0.52 120.40 116.57 1fr9 s VAL 122 Ca 0.22 -0.10 -0.08 0.00 -2.93 0.00 0.00 61.98 59.09 1fr9 s VAL 122 Cb 0.19 -0.71 0.00 0.00 -1.53 0.00 0.00 36.38 34.34 1fr9 s VAL 122 CO 0.52 -0.05 0.16 0.68 -3.33 0.00 0.00 175.10 173.08 1fr9 s VAL 123 N -0.26 0.09 0.17 2.04 -7.23 -0.51 -3.03 120.40 111.68 1fr9 s VAL 123 Ca -0.04 -0.78 -0.00 0.00 -1.81 0.00 0.00 61.98 59.34 1fr9 s VAL 123 Cb -0.03 -0.64 -0.04 0.00 0.56 0.00 0.00 36.38 36.22 1fr9 s VAL 123 CO 0.03 -0.43 0.07 -1.66 -0.31 0.00 0.00 175.10 172.79 1fr9 s TRP 124 N -1.87 1.08 0.09 2.82 -2.14 -1.02 -0.87 118.94 117.03 1fr9 s TRP 124 Ca -0.11 -1.23 -0.26 0.00 2.66 0.00 0.00 56.10 57.17 1fr9 s TRP 124 Cb -0.05 -0.59 -0.06 0.00 -3.10 0.00 0.00 33.47 29.67 1fr9 s TRP 124 CO -0.00 -0.47 0.81 0.08 -2.66 0.00 0.00 176.95 174.71 1fr9 s VAL 125 N -3.97 4.58 -0.16 -0.66 1.01 -0.83 -0.26 120.40 120.11 1fr9 s VAL 125 Ca 0.29 1.75 -0.00 0.00 0.00 0.00 0.00 61.98 64.02 1fr9 s VAL 125 Cb 0.07 -4.17 -0.00 0.00 0.00 0.00 0.00 36.38 32.28 1fr9 s VAL 125 CO 0.06 0.40 -0.14 -2.28 0.00 0.00 0.00 175.10 173.13 1fr9 s HIS 126 N -0.34 2.80 -2.19 5.22 2.46 -0.24 -0.22 115.29 122.79 1fr9 s HIS 126 Ca 0.40 -0.98 0.18 0.00 0.47 0.00 0.00 55.06 55.13 1fr9 s HIS 126 Cb -0.22 -1.90 0.59 0.00 -0.13 0.00 0.00 32.58 30.92 1fr9 s HIS 126 CO 0.25 -0.44 1.45 -0.40 -2.47 0.00 0.00 174.74 173.13 1fr9 n ASP 127 N 4.04 1.93 0.00 9.88 5.68 -0.61 -0.78 116.55 136.69 1fr9 n ASP 127 Ca -0.19 -1.83 0.00 0.00 -0.50 0.00 0.00 54.79 52.27 1fr9 n ASP 127 Cb 0.52 -0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.33 1fr9 n ASP 127 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1fr9 n GLY 128 N 1.15 2.30 0.07 6.12 0.00 -1.26 -3.84 105.19 109.72 1fr9 n GLY 128 Ca 0.15 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.08 1fr9 n GLY 128 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fr9 n GLU 129 N -0.04 0.40 -3.86 1.61 1.02 -1.26 -5.05 120.64 113.47 1fr9 n GLU 129 Ca 0.00 0.07 -0.09 0.00 -0.02 0.00 0.00 57.16 57.12 1fr9 n GLU 129 Cb 0.00 -1.27 -0.05 0.00 -0.02 0.00 0.00 31.44 30.10 1fr9 n GLU 129 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1fr9 s ARG 130 N -2.27 1.33 0.41 3.49 1.70 -1.26 -5.15 118.95 117.20 1fr9 s ARG 130 Ca -0.18 -1.03 -0.23 0.00 -0.47 0.00 0.00 55.73 53.83 1fr9 s ARG 130 Cb 0.05 0.46 -0.10 0.00 -0.57 0.00 0.00 34.95 34.79 1fr9 s ARG 130 CO 0.31 -0.54 0.99 -0.51 -1.08 0.00 0.00 175.30 174.48 1fr9 s ASP 131 N -2.93 6.87 -0.59 -2.89 1.01 -1.26 -1.57 116.67 115.30 1fr9 s ASP 131 Ca 0.14 1.87 0.05 0.00 0.71 0.00 0.00 52.55 55.32 1fr9 s ASP 131 Cb 0.00 -2.57 0.19 0.00 1.01 0.00 0.00 42.92 41.56 1fr9 s ASP 131 CO -0.00 -0.41 0.50 1.41 0.21 0.00 0.00 175.17 176.88 1fr9 n HIS 132 N -0.26 1.86 0.32 4.23 8.25 0.70 -4.96 115.22 125.35 1fr9 n HIS 132 Ca 0.06 -3.95 0.15 0.00 -0.26 0.00 0.00 57.72 53.71 1fr9 n HIS 132 Cb 0.52 -0.35 0.64 0.00 1.12 0.00 0.00 29.99 31.92 1fr9 n HIS 132 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 1fr9 h PRO 133 N 5.12 0.00 -0.07 -0.41 0.13 -1.96 -1.82 132.00 133.00 1fr9 h PRO 133 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1fr9 h PRO 133 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 1fr9 h PRO 133 CO 0.62 0.00 0.00 0.25 -0.23 0.00 0.00 178.00 178.64 1fr9 n THR 134 N -2.58 0.08 -3.46 1.56 -2.24 -1.26 -4.40 114.28 101.98 1fr9 n THR 134 Ca 0.01 -0.27 -0.43 0.00 -2.27 0.00 0.00 64.05 61.08 1fr9 n THR 134 Cb 0.21 0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.79 1fr9 n THR 134 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1fr9 s ILE 135 N -1.92 5.00 0.01 2.28 1.01 -0.68 -3.54 121.20 123.35 1fr9 s ILE 135 Ca 0.36 -2.68 0.00 0.00 0.00 0.00 0.00 60.65 58.33 1fr9 s ILE 135 Cb 0.20 -4.12 -0.01 0.00 0.01 0.00 0.00 42.46 38.53 1fr9 s ILE 135 CO 0.31 -0.99 -0.02 0.00 0.00 0.00 0.00 174.94 174.24 1fr9 s ALA 136 N 0.03 0.08 -0.28 9.38 0.00 -0.90 -1.97 121.76 128.11 1fr9 s ALA 136 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.75 1fr9 s ALA 136 Cb -0.13 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.03 1fr9 s ALA 136 CO -0.07 -0.07 0.13 -1.17 0.00 0.00 0.00 175.76 174.58 1fr9 s LEU 137 N -0.72 3.82 -0.08 0.00 2.96 -0.05 -1.04 118.68 123.57 1fr9 s LEU 137 Ca -0.08 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.63 1fr9 s LEU 137 Cb -0.05 -2.01 0.01 0.00 0.50 0.00 0.00 46.19 44.64 1fr9 s LEU 137 CO -0.00 -0.09 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.10 1fr9 s VAL 138 N 1.66 1.35 0.14 1.68 1.01 0.79 -1.42 120.40 125.61 1fr9 s VAL 138 Ca 0.06 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.22 1fr9 s VAL 138 Cb -0.16 -1.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.93 1fr9 s VAL 138 CO 0.07 0.40 0.70 0.21 0.00 0.00 0.00 175.10 176.48 1fr9 s ASN 139 N 0.72 7.26 0.00 3.32 3.84 0.33 -1.04 114.94 129.37 1fr9 s ASN 139 Ca -0.13 1.50 0.11 0.00 0.21 0.00 0.00 52.86 54.55 1fr9 s ASN 139 Cb -0.16 -2.45 0.53 0.00 -0.55 0.00 0.00 41.25 38.63 1fr9 s ASN 139 CO 0.03 0.23 1.33 -2.11 -2.79 0.00 0.00 177.10 173.78 1fr9 n ARG 140 N 1.60 0.07 0.32 0.43 1.85 0.85 -2.31 116.66 119.46 1fr9 n ARG 140 Ca -0.07 0.25 0.20 0.00 -1.00 0.00 0.00 57.85 57.22 1fr9 n ARG 140 Cb 0.49 -1.50 1.05 0.00 -1.05 0.00 0.00 32.46 31.45 1fr9 n ARG 140 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1fr9 h ALA 141 N 2.46 1.24 -0.39 2.89 0.00 -1.93 -0.55 119.26 122.98 1fr9 h ALA 141 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1fr9 h ALA 141 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1fr9 h ALA 141 CO 0.00 -0.12 0.00 0.44 0.00 0.00 0.00 179.25 179.57 1fr9 n ILE 142 N -3.21 0.52 -0.07 0.00 -5.35 -0.98 -4.29 119.36 105.97 1fr9 n ILE 142 Ca -0.02 -0.54 -0.07 0.00 -0.27 0.00 0.00 62.75 61.85 1fr9 n ILE 142 Cb 0.18 0.31 -0.01 0.00 -1.74 0.00 0.00 39.64 38.38 1fr9 n ILE 142 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1fr9 h GLU 143 N 2.47 0.00 -0.68 6.28 4.81 -1.32 -0.53 114.58 125.61 1fr9 h GLU 143 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1fr9 h GLU 143 Cb 0.56 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.91 1fr9 h GLU 143 CO 0.00 0.00 0.36 -1.35 -0.73 0.00 0.00 179.01 177.29 1fr9 h PRO 144 N 0.00 0.96 -0.75 0.92 0.11 -1.81 -1.10 132.00 130.32 1fr9 h PRO 144 Ca 0.14 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 1fr9 h PRO 144 Cb 0.21 -0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.10 1fr9 h PRO 144 CO -0.29 0.73 0.43 1.25 -0.21 0.00 0.00 178.00 179.91 1fr9 h LEU 145 N 0.94 0.92 -0.46 2.35 5.85 -1.73 -0.97 115.31 122.22 1fr9 h LEU 145 Ca 0.24 -0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 1fr9 h LEU 145 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.84 1fr9 h LEU 145 CO -0.04 0.74 0.17 0.25 -0.34 0.00 0.00 178.44 179.22 1fr9 h LEU 146 N 1.03 0.64 -0.16 2.25 5.85 -0.71 -0.42 115.31 123.79 1fr9 h LEU 146 Ca 0.27 -0.18 0.02 0.00 0.84 0.00 0.00 57.88 58.83 1fr9 h LEU 146 Cb 0.00 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 1fr9 h LEU 146 CO -0.05 0.65 0.04 0.25 -0.34 0.00 0.00 178.44 178.99 1fr9 h LEU 147 N 0.59 0.02 -0.88 2.25 5.85 -1.02 -1.18 115.31 120.95 1fr9 h LEU 147 Ca 0.15 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1fr9 h LEU 147 Cb 0.21 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 1fr9 h LEU 147 CO -0.01 0.04 0.55 -0.08 -0.34 0.00 0.00 178.44 178.60 1fr9 h GLU 148 N 0.11 1.18 -0.48 1.25 4.81 -0.90 0.43 114.58 120.98 1fr9 h GLU 148 Ca 0.07 -0.09 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1fr9 h GLU 148 Cb 0.06 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 1fr9 h GLU 148 CO -0.09 0.81 0.28 -0.92 -0.73 0.00 0.00 179.01 178.37 1fr9 h TYR 149 N 1.20 0.64 -0.14 0.92 3.20 -0.75 -1.33 116.97 120.72 1fr9 h TYR 149 Ca 0.32 -0.00 -0.20 0.00 3.14 0.00 0.00 58.73 61.98 1fr9 h TYR 149 Cb -0.08 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 37.98 1fr9 h TYR 149 CO -0.00 0.45 -0.73 -0.07 -1.64 0.00 0.00 178.16 176.16 1fr9 h LEU 150 N 0.64 0.76 -1.56 2.82 3.38 -0.98 -2.33 115.31 118.03 1fr9 h LEU 150 Ca 0.17 -0.49 -0.04 0.00 0.09 0.00 0.00 57.88 57.62 1fr9 h LEU 150 Cb 0.00 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1fr9 h LEU 150 CO -0.03 1.26 -0.15 1.56 0.09 0.00 0.00 178.44 181.17 1fr9 h GLN 151 N 0.45 0.09 0.00 1.13 4.20 -0.71 -1.38 115.11 118.89 1fr9 h GLN 151 Ca -0.04 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.65 1fr9 h GLN 151 Cb 1.34 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.10 1fr9 h GLN 151 CO 0.14 0.25 0.00 0.00 -0.67 0.00 0.00 178.83 178.55 1fr9 n ALA 152 N -2.50 2.20 -0.57 3.87 0.00 -0.52 -4.88 120.51 118.11 1fr9 n ALA 152 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1fr9 n ALA 152 Cb 0.24 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1fr9 n ALA 152 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fr9 n GLY 153 N 0.52 0.72 3.85 0.00 0.00 -0.52 -5.07 105.19 104.70 1fr9 n GLY 153 Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 1fr9 n GLY 153 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fr9 s GLU 154 N -0.43 4.00 0.00 1.61 0.41 -0.90 -5.00 118.70 118.40 1fr9 s GLU 154 Ca 0.00 0.64 0.00 0.00 -0.41 0.00 0.00 54.97 55.20 1fr9 s GLU 154 Cb 0.00 -2.50 0.00 0.00 -1.78 0.00 0.00 34.13 29.85 1fr9 s GLU 154 CO 0.00 0.20 0.00 0.54 -0.49 0.00 0.00 175.26 175.51 1fr9 n ARG 155 N -0.23 4.11 -1.98 1.61 1.74 -1.26 -4.27 116.66 116.37 1fr9 n ARG 155 Ca 0.03 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.68 1fr9 n ARG 155 Cb 0.53 -0.46 -0.03 0.00 -1.02 0.00 0.00 32.46 31.48 1fr9 n ARG 155 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1fr9 s ARG 156 N -0.28 4.20 0.01 5.56 0.52 -1.26 -4.82 118.95 122.89 1fr9 s ARG 156 Ca 0.00 2.25 -0.19 0.00 -0.52 0.00 0.00 55.73 57.26 1fr9 s ARG 156 Cb 0.00 -3.71 -0.11 0.00 0.52 0.00 0.00 34.95 31.65 1fr9 s ARG 156 CO 0.00 -0.74 1.00 0.28 0.02 0.00 0.00 175.30 175.86 1fr9 h VAL 157 N 5.04 0.00 -0.85 3.52 2.07 -1.98 -2.61 116.25 121.44 1fr9 h VAL 157 Ca -0.41 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 66.93 1fr9 h VAL 157 Cb 1.19 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.91 1fr9 h VAL 157 CO 0.93 0.00 0.56 -0.03 0.02 0.00 0.00 177.57 179.05 1fr9 h MET 158 N -0.91 1.01 -0.32 1.57 1.85 -1.92 -0.27 114.93 115.94 1fr9 h MET 158 Ca -0.07 -0.06 0.04 0.00 -0.61 0.00 0.00 59.70 59.00 1fr9 h MET 158 Cb 0.54 -0.23 -0.04 0.00 0.43 0.00 0.00 31.60 32.30 1fr9 h MET 158 CO 0.12 0.67 0.10 0.28 -0.40 0.00 0.00 176.91 177.68 1fr9 h VAL 159 N 1.04 0.89 0.02 -5.77 2.07 -1.97 0.76 116.25 113.29 1fr9 h VAL 159 Ca 0.34 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.79 1fr9 h VAL 159 Cb 0.05 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1fr9 h VAL 159 CO -0.10 0.04 -0.05 0.15 0.02 0.00 0.00 177.57 177.63 1fr9 h PHE 160 N 0.23 -0.13 -0.63 1.57 3.57 -1.00 -1.05 116.94 119.51 1fr9 h PHE 160 Ca 0.14 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1fr9 h PHE 160 Cb 0.13 0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1fr9 h PHE 160 CO -0.15 -0.08 0.40 0.52 -2.23 0.00 0.00 178.31 176.77 1fr9 h MET 161 N -0.10 0.84 -0.59 1.11 2.86 -0.52 -1.18 114.93 117.34 1fr9 h MET 161 Ca 0.02 -0.06 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 1fr9 h MET 161 Cb 0.12 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 1fr9 h MET 161 CO -0.04 0.57 0.01 0.00 1.06 0.00 0.00 176.91 178.51 1fr9 h ARG 162 N 0.86 1.04 0.00 1.72 3.08 -0.68 -0.70 114.38 119.69 1fr9 h ARG 162 Ca 0.23 -0.33 -0.05 0.00 0.07 0.00 0.00 59.98 59.90 1fr9 h ARG 162 Cb -0.07 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 1fr9 h ARG 162 CO -0.05 1.02 -0.23 1.25 -1.07 0.00 0.00 179.97 180.89 1fr9 h LEU 163 N 0.93 0.00 0.00 3.04 6.46 -0.37 -0.63 115.31 124.74 1fr9 h LEU 163 Ca 0.17 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.93 1fr9 h LEU 163 Cb 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.47 1fr9 h LEU 163 CO 0.03 0.23 0.00 0.00 -0.62 0.00 0.00 178.44 178.08 1fr9 n ALA 164 N -2.45 2.30 -0.02 1.25 0.00 -0.53 -4.89 120.51 116.17 1fr9 n ALA 164 Ca -0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1fr9 n ALA 164 Cb 0.30 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.30 1fr9 n ALA 164 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fr9 n GLY 165 N 1.21 0.99 3.95 0.00 0.00 -0.24 -4.71 105.19 106.38 1fr9 n GLY 165 Ca 0.09 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.84 1fr9 n GLY 165 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1fr9 s GLY 166 N -2.01 1.74 0.21 -0.02 0.00 -0.28 -4.65 107.32 102.30 1fr9 s GLY 166 Ca 0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 44.72 43.34 1fr9 s GLY 166 CO 0.00 -0.70 0.48 -2.38 0.00 0.00 0.00 173.10 170.50 1fr9 s HIS 167 N -3.35 0.09 0.38 1.90 -3.43 -1.17 -4.56 115.29 105.15 1fr9 s HIS 167 Ca 0.65 -0.45 -0.18 0.00 -0.80 0.00 0.00 55.06 54.29 1fr9 s HIS 167 Cb -0.08 0.28 -0.10 0.00 -1.43 0.00 0.00 32.58 31.26 1fr9 s HIS 167 CO 0.46 -0.92 0.84 0.00 -2.00 0.00 0.00 174.74 173.12 1fr9 s ALA 168 N -3.93 3.19 -0.11 -1.38 0.00 -1.26 -2.43 121.76 115.85 1fr9 s ALA 168 Ca 0.14 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.33 1fr9 s ALA 168 Cb -0.00 -2.94 -0.00 0.00 0.00 0.00 0.00 23.12 20.17 1fr9 s ALA 168 CO 0.01 0.22 -0.23 0.08 0.00 0.00 0.00 175.76 175.85 1fr9 s VAL 169 N -2.09 2.19 -0.20 0.00 1.01 0.64 -4.88 120.40 117.07 1fr9 s VAL 169 Ca 0.58 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 1fr9 s VAL 169 Cb -0.10 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1fr9 s VAL 169 CO 0.16 0.55 1.48 -0.62 0.00 0.00 0.00 175.10 176.68 1fr9 s ASP 170 N 0.36 6.61 -0.21 3.32 2.15 -1.26 -1.07 116.67 126.56 1fr9 s ASP 170 Ca -0.18 1.65 0.12 0.00 0.43 0.00 0.00 52.55 54.58 1fr9 s ASP 170 Cb -0.18 -2.54 0.42 0.00 -0.30 0.00 0.00 42.92 40.33 1fr9 s ASP 170 CO 0.08 -1.06 1.28 0.49 -0.17 0.00 0.00 175.17 175.79 1fr9 n PHE 171 N 7.67 0.32 0.30 -5.34 3.01 0.04 -4.81 117.46 118.65 1fr9 n PHE 171 Ca 0.17 -1.40 0.18 0.00 1.01 0.00 0.00 57.45 57.41 1fr9 n PHE 171 Cb 0.45 -0.29 1.00 0.00 -0.01 0.00 0.00 39.48 40.63 1fr9 n PHE 171 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 1fr9 h SER 172 N 0.86 0.00 0.39 4.37 4.64 -1.69 -0.65 113.55 121.46 1fr9 h SER 172 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1fr9 h SER 172 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1fr9 h SER 172 CO 0.11 0.00 -0.08 -0.90 -0.87 0.00 0.00 176.83 175.09 1fr9 n ASP 173 N -3.58 0.34 -4.29 4.97 5.75 -1.26 -4.57 116.55 113.91 1fr9 n ASP 173 Ca -0.02 -0.50 -0.44 0.00 -0.01 0.00 0.00 54.79 53.81 1fr9 n ASP 173 Cb 0.12 -0.12 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1fr9 n ASP 173 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1fr9 s HIS 174 N -2.47 3.92 -0.22 2.11 3.76 -0.25 -4.99 115.29 117.15 1fr9 s HIS 174 Ca 0.30 -2.42 -0.33 0.00 -0.15 0.00 0.00 55.06 52.46 1fr9 s HIS 174 Cb 0.20 -3.70 -0.10 0.00 1.11 0.00 0.00 32.58 30.09 1fr9 s HIS 174 CO 0.46 -0.94 2.10 1.17 -0.85 0.00 0.00 174.74 176.69 1fr9 n LYS 175 N 3.31 1.73 -1.42 1.40 4.81 -1.26 -1.87 118.16 124.85 1fr9 n LYS 175 Ca 0.18 0.54 -0.14 0.00 -0.87 0.00 0.00 58.31 58.01 1fr9 n LYS 175 Cb 0.42 -2.76 -0.06 0.00 0.02 0.00 0.00 35.03 32.65 1fr9 n LYS 175 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1fr9 n ASP 176 N 9.34 -5.38 0.26 3.14 8.00 -1.26 -4.84 116.55 125.81 1fr9 n ASP 176 Ca 0.31 0.36 0.16 0.00 0.71 0.00 0.00 54.79 56.34 1fr9 n ASP 176 Cb 0.32 -4.16 0.62 0.00 -0.02 0.00 0.00 41.12 37.88 1fr9 n ASP 176 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1fr9 h ALA 177 N 0.00 1.00 -0.17 2.24 0.00 -1.62 -3.11 119.26 117.61 1fr9 h ALA 177 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1fr9 h ALA 177 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 1fr9 h ALA 177 CO 0.43 0.00 0.00 1.19 0.00 0.00 0.00 179.25 180.87 1fr9 n PHE 178 N -3.02 0.50 -1.69 0.00 3.01 -1.26 -2.25 117.46 112.75 1fr9 n PHE 178 Ca 0.01 -0.83 -0.44 0.00 1.01 0.00 0.00 57.45 57.20 1fr9 n PHE 178 Cb 0.32 -0.20 -0.02 0.00 -0.01 0.00 0.00 39.48 39.57 1fr9 n PHE 178 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1fr9 n VAL 179 N -0.66 1.18 -4.89 -4.37 0.31 -1.18 -4.99 118.33 103.73 1fr9 n VAL 179 Ca 0.16 -0.30 -0.33 0.00 -0.01 0.00 0.00 64.34 63.87 1fr9 n VAL 179 Cb 0.69 -1.57 -0.13 0.00 -0.91 0.00 0.00 33.84 31.92 1fr9 n VAL 179 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1fr9 s ASN 180 N 0.20 3.99 -0.67 4.52 6.03 -1.26 -4.32 114.94 123.43 1fr9 s ASN 180 Ca 0.65 -0.22 -0.20 0.00 -1.03 0.00 0.00 52.86 52.06 1fr9 s ASN 180 Cb -0.61 -0.91 0.10 0.00 -3.03 0.00 0.00 41.25 36.80 1fr9 s ASN 180 CO 0.52 0.33 0.87 -0.69 -2.03 0.00 0.00 177.10 176.10 1fr9 s VAL 181 N -0.62 4.62 0.11 3.54 1.01 0.08 -4.90 120.40 124.24 1fr9 s VAL 181 Ca 0.09 -0.85 -0.12 0.00 0.00 0.00 0.00 61.98 61.10 1fr9 s VAL 181 Cb -0.11 -4.61 -0.16 0.00 0.00 0.00 0.00 36.38 31.50 1fr9 s VAL 181 CO 0.01 -1.31 1.31 0.78 0.00 0.00 0.00 175.10 175.88 1fr9 h ASN 182 N 9.26 0.93 -5.47 3.32 2.35 -1.95 -3.47 115.58 120.54 1fr9 h ASN 182 Ca -0.22 -0.61 -0.20 0.00 -0.55 0.00 0.00 56.30 54.72 1fr9 h ASN 182 Cb 1.07 -0.27 -0.15 0.00 0.05 0.00 0.00 38.32 39.02 1fr9 h ASN 182 CO 1.13 1.41 -0.59 0.42 -1.65 0.00 0.00 177.43 178.15 1fr9 s THR 183 N -3.73 0.05 0.30 2.81 -4.23 -1.26 -5.03 115.64 104.55 1fr9 s THR 183 Ca -0.10 -1.89 0.05 0.00 -1.18 0.00 0.00 61.69 58.58 1fr9 s THR 183 Cb 0.09 -2.22 0.30 0.00 1.34 0.00 0.00 72.50 72.00 1fr9 s THR 183 CO 0.90 -0.25 1.79 -0.65 -0.54 0.00 0.00 174.62 175.88 1fr9 h PRO 184 N 2.72 0.77 -0.57 3.99 0.11 -1.97 -1.31 132.00 135.74 1fr9 h PRO 184 Ca -0.35 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.72 1fr9 h PRO 184 Cb 1.22 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 1fr9 h PRO 184 CO 0.55 0.51 0.36 0.93 -0.21 0.00 0.00 178.00 180.14 1fr9 h GLU 185 N 0.80 0.76 -0.65 1.05 3.07 -2.00 -1.87 114.58 115.73 1fr9 h GLU 185 Ca 0.56 -0.06 -0.08 0.00 -0.50 0.00 0.00 59.36 59.29 1fr9 h GLU 185 Cb 0.84 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 28.56 1fr9 h GLU 185 CO -0.36 0.53 0.11 1.49 -1.40 0.00 0.00 179.01 179.38 1fr9 h GLU 186 N 0.76 1.07 -0.87 2.33 4.57 -1.83 -2.46 114.58 118.16 1fr9 h GLU 186 Ca 0.20 -0.28 0.08 0.00 -1.18 0.00 0.00 59.36 58.19 1fr9 h GLU 186 Cb -0.05 -0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.36 1fr9 h GLU 186 CO -0.04 0.98 0.56 1.25 -1.18 0.00 0.00 179.01 180.58 1fr9 h LEU 187 N 1.00 0.81 -1.65 1.64 5.85 -0.88 0.22 115.31 122.30 1fr9 h LEU 187 Ca 0.20 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.89 1fr9 h LEU 187 Cb 0.43 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1fr9 h LEU 187 CO 0.01 0.50 -0.20 0.00 -0.34 0.00 0.00 178.44 178.41 1fr9 h ALA 188 N 1.55 1.47 0.00 1.25 0.00 -0.86 -1.59 119.26 121.08 1fr9 h ALA 188 Ca 0.39 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1fr9 h ALA 188 Cb 0.31 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1fr9 h ALA 188 CO -0.15 0.25 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1fr9 h ARG 189 N 0.00 0.00 0.00 0.00 3.08 -0.44 -3.19 114.38 113.83 1fr9 h ARG 189 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1fr9 h ARG 189 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1fr9 h ARG 189 CO 0.03 0.00 -1.76 0.91 -1.07 0.00 0.00 179.97 178.08 1fr9 n TRP 190 N -3.00 0.00 -1.58 3.04 7.02 -0.66 -5.00 117.44 117.26 1fr9 n TRP 190 Ca -0.00 0.00 -0.43 0.00 -1.02 0.00 0.00 57.50 56.05 1fr9 n TRP 190 Cb 0.24 -0.38 -0.00 0.00 -2.42 0.00 0.00 31.31 28.74 1fr9 n TRP 190 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1fr9 n GLN 191 N -2.08 1.28 0.00 -0.99 1.13 -0.82 -4.96 117.38 110.94 1fr9 n GLN 191 Ca -0.03 0.45 0.15 0.00 -1.94 0.00 0.00 57.00 55.63 1fr9 n GLN 191 Cb 0.45 -1.89 0.72 0.00 0.11 0.00 0.00 30.24 29.64 1fr9 n GLN 191 CO 0.00 0.00 0.00 -1.91 -1.44 0.00 0.00 177.06 173.71