#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwn s ALA 2 N 0.00 1.28 0.22 3.04 0.00 -1.26 -5.16 121.76 119.88 1xwn s ALA 2 Ca 0.00 -1.40 0.03 0.00 0.00 0.00 0.00 51.96 50.59 1xwn s ALA 2 Cb 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.16 1xwn s ALA 2 CO 0.00 -0.11 0.36 0.00 0.00 0.00 0.00 175.76 176.01 1xwn s ALA 3 N -3.21 3.90 0.49 0.00 0.00 -1.26 -5.08 121.76 116.60 1xwn s ALA 3 Ca 0.13 -1.10 -0.24 0.00 0.00 0.00 0.00 51.96 50.76 1xwn s ALA 3 Cb 0.02 -1.82 -0.07 0.00 0.00 0.00 0.00 23.12 21.26 1xwn s ALA 3 CO -0.01 0.31 1.36 0.96 0.00 0.00 0.00 175.76 178.39 1xwn s ILE 4 N -1.94 2.22 0.14 0.00 -4.36 -1.26 -4.94 121.20 111.06 1xwn s ILE 4 Ca 0.35 0.18 -0.18 0.00 -0.26 0.00 0.00 60.65 60.74 1xwn s ILE 4 Cb -0.10 -3.10 0.02 0.00 1.25 0.00 0.00 42.46 40.53 1xwn s ILE 4 CO 0.30 0.01 1.70 -0.65 0.24 0.00 0.00 174.94 176.54 1xwn h PRO 5 N 1.99 0.05 -7.17 0.37 0.11 -2.08 -3.44 132.00 121.83 1xwn h PRO 5 Ca -0.51 -0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.09 1xwn h PRO 5 Cb 1.28 -0.01 0.21 0.00 0.11 0.00 0.00 31.00 32.58 1xwn h PRO 5 CO 0.60 0.03 0.05 -2.30 -0.21 0.00 0.00 178.00 176.17 1xwn n PRO 6 N -5.19 -0.82 -2.51 1.05 -0.02 -1.26 -4.62 135.00 121.63 1xwn n PRO 6 Ca -0.00 -0.18 -0.04 0.00 -2.02 0.00 0.00 63.50 61.25 1xwn n PRO 6 Cb 0.16 -2.26 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 1xwn n PRO 6 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xwn n ASP 7 N -3.97 -1.71 0.00 2.55 -0.08 -1.26 -5.05 116.55 107.04 1xwn n ASP 7 Ca 0.10 1.24 0.00 0.00 -1.51 0.00 0.00 54.79 54.61 1xwn n ASP 7 Cb 0.53 -4.89 0.00 0.00 2.34 0.00 0.00 41.12 39.10 1xwn n ASP 7 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1xwn n SER 8 N 1.38 0.00 -1.78 1.67 3.41 -1.26 -5.02 113.62 112.02 1xwn n SER 8 Ca -0.32 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.29 1xwn n SER 8 Cb 0.49 0.27 0.00 0.00 -0.26 0.00 0.00 64.21 64.71 1xwn n SER 8 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 175.04 176.75 1xwn n TRP 9 N -2.02 -3.94 -4.20 7.33 -0.00 -1.26 -5.09 117.44 108.27 1xwn n TRP 9 Ca 0.00 2.37 -0.12 0.00 -0.00 0.00 0.00 57.50 59.75 1xwn n TRP 9 Cb 0.00 -3.36 -0.10 0.00 -0.00 0.00 0.00 31.31 27.85 1xwn n TRP 9 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 177.69 177.04 1xwn s GLN 10 N -1.11 1.01 -0.50 5.87 1.11 -1.26 -5.09 119.66 119.68 1xwn s GLN 10 Ca 0.00 -1.48 -0.33 0.00 0.01 0.00 0.00 55.36 53.56 1xwn s GLN 10 Cb 0.00 -0.05 -0.13 0.00 -1.01 0.00 0.00 33.01 31.82 1xwn s GLN 10 CO 0.00 -0.17 2.32 -0.35 0.01 0.00 0.00 175.29 177.10 1xwn n PRO 11 N -0.16 0.81 -0.03 2.91 -0.04 -1.25 -4.85 135.00 132.39 1xwn n PRO 11 Ca -0.07 0.17 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 1xwn n PRO 11 Cb 0.63 -2.41 -0.11 0.00 -0.04 0.00 0.00 33.50 31.58 1xwn n PRO 11 CO 0.00 0.00 0.00 -1.00 -0.04 0.00 0.00 175.50 174.46 1xwn h PRO 12 N 13.42 0.16 -5.08 0.54 0.13 -1.95 -3.46 132.00 135.75 1xwn h PRO 12 Ca -0.21 -0.15 -0.57 0.00 -0.87 0.00 0.00 66.00 64.19 1xwn h PRO 12 Cb 1.32 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 1xwn h PRO 12 CO 1.12 0.86 -0.52 -0.80 -0.23 0.00 0.00 178.00 178.43 1xwn s ASN 13 N -6.23 2.95 -0.06 1.44 -0.87 -1.26 -3.30 114.94 107.62 1xwn s ASN 13 Ca -0.16 -1.65 0.02 0.00 -1.57 0.00 0.00 52.86 49.50 1xwn s ASN 13 Cb 0.01 0.46 0.01 0.00 -0.02 0.00 0.00 41.25 41.72 1xwn s ASN 13 CO 0.73 -0.90 -0.11 0.54 -2.57 0.00 0.00 177.10 174.80 1xwn s VAL 14 N -3.17 1.02 -0.87 1.60 0.11 0.36 -3.04 120.40 116.41 1xwn s VAL 14 Ca 0.22 -0.41 -0.21 0.00 -2.93 0.00 0.00 61.98 58.65 1xwn s VAL 14 Cb 0.03 -0.95 0.09 0.00 -1.53 0.00 0.00 36.38 34.02 1xwn s VAL 14 CO 0.13 0.33 1.16 -0.31 -3.33 0.00 0.00 175.10 173.08 1xwn s TYR 15 N 0.71 2.85 -0.96 1.54 1.51 -0.90 -2.69 117.35 119.42 1xwn s TYR 15 Ca -0.14 -1.01 -0.19 0.00 -1.01 0.00 0.00 57.07 54.73 1xwn s TYR 15 Cb -0.16 -4.38 0.13 0.00 -0.11 0.00 0.00 41.96 37.44 1xwn s TYR 15 CO 0.03 -1.65 1.17 -0.51 -1.11 0.00 0.00 175.55 173.48 1xwn s LEU 16 N 3.63 4.96 -1.02 -1.29 1.43 -1.01 -2.90 118.68 122.48 1xwn s LEU 16 Ca 0.33 -2.08 -0.22 0.00 -1.03 0.00 0.00 54.13 51.13 1xwn s LEU 16 Cb -0.07 -2.41 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1xwn s LEU 16 CO -0.03 -1.07 1.42 -0.70 0.23 0.00 0.00 176.35 176.20 1xwn s GLU 17 N 2.75 3.61 0.41 1.70 -6.30 0.14 -2.83 118.70 118.17 1xwn s GLU 17 Ca 0.34 -1.24 0.02 0.00 -2.50 0.00 0.00 54.97 51.60 1xwn s GLU 17 Cb -0.04 -5.31 -0.01 0.00 0.00 0.00 0.00 34.13 28.77 1xwn s GLU 17 CO -0.09 -2.16 0.60 0.95 0.02 0.00 0.00 175.26 174.58 1xwn s THR 18 N 4.67 4.16 0.16 -1.70 -4.23 -0.46 -1.05 115.64 117.19 1xwn s THR 18 Ca 0.45 -0.63 -0.11 0.00 -1.18 0.00 0.00 61.69 60.22 1xwn s THR 18 Cb -0.00 -3.51 0.02 0.00 1.34 0.00 0.00 72.50 70.35 1xwn s THR 18 CO -0.09 -0.31 1.59 0.28 -0.54 0.00 0.00 174.62 175.55 1xwn h SER 19 N 0.57 0.96 0.02 3.99 0.02 -0.28 -2.77 113.55 116.06 1xwn h SER 19 Ca -0.47 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.12 1xwn h SER 19 Cb 1.25 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 63.52 1xwn h SER 19 CO 0.57 1.07 -0.06 -0.03 -1.14 0.00 0.00 176.83 177.24 1xwn h MET 20 N 0.83 0.11 0.00 3.45 1.85 -1.72 -3.48 114.93 115.98 1xwn h MET 20 Ca 0.14 -0.02 0.00 0.00 -0.61 0.00 0.00 59.70 59.21 1xwn h MET 20 Cb 0.62 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.63 1xwn h MET 20 CO 0.04 0.18 0.00 0.41 -0.40 0.00 0.00 176.91 177.14 1xwn n GLY 21 N -1.22 -1.22 3.28 1.39 0.00 -1.05 -5.08 105.19 101.29 1xwn n GLY 21 Ca -0.02 -1.03 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 1xwn n GLY 21 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1xwn s ILE 22 N -3.00 2.53 -0.03 -0.61 2.07 -1.26 -1.35 121.20 119.55 1xwn s ILE 22 Ca 0.00 -0.84 -0.00 0.00 -1.41 0.00 0.00 60.65 58.40 1xwn s ILE 22 Cb 0.00 -2.03 0.03 0.00 0.13 0.00 0.00 42.46 40.59 1xwn s ILE 22 CO 0.00 0.54 0.02 0.27 -1.91 0.00 0.00 174.94 173.85 1xwn s ILE 23 N 0.43 0.09 -0.37 2.00 -4.36 -1.13 -4.78 121.20 113.09 1xwn s ILE 23 Ca -0.13 0.16 -0.11 0.00 -0.26 0.00 0.00 60.65 60.31 1xwn s ILE 23 Cb -0.17 -0.22 0.02 0.00 1.25 0.00 0.00 42.46 43.35 1xwn s ILE 23 CO 0.06 0.14 0.21 -0.69 0.24 0.00 0.00 174.94 174.90 1xwn s VAL 24 N 1.20 4.67 0.15 8.37 1.01 -0.04 -2.40 120.40 133.36 1xwn s VAL 24 Ca -0.07 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.20 1xwn s VAL 24 Cb -0.13 -3.56 -0.04 0.00 0.00 0.00 0.00 36.38 32.65 1xwn s VAL 24 CO -0.02 -0.18 0.19 -0.76 0.00 0.00 0.00 175.10 174.32 1xwn s LEU 25 N 1.58 4.02 -0.11 3.92 2.01 -1.09 -3.25 118.68 125.75 1xwn s LEU 25 Ca 0.03 0.00 -0.00 0.00 0.01 0.00 0.00 54.13 54.17 1xwn s LEU 25 Cb -0.19 -2.62 -0.02 0.00 0.01 0.00 0.00 46.19 43.37 1xwn s LEU 25 CO 0.07 0.07 -0.10 -0.70 1.01 0.00 0.00 176.35 176.70 1xwn s GLU 26 N -3.09 3.20 0.11 1.70 2.12 -0.56 -0.49 118.70 121.70 1xwn s GLU 26 Ca 0.32 -0.62 -0.03 0.00 0.36 0.00 0.00 54.97 55.00 1xwn s GLU 26 Cb -0.11 -2.65 -0.05 0.00 0.26 0.00 0.00 34.13 31.58 1xwn s GLU 26 CO 0.25 0.37 0.31 -0.51 -0.54 0.00 0.00 175.26 175.14 1xwn s LEU 27 N -0.03 4.30 -0.88 2.70 1.43 -1.21 -1.77 118.68 123.22 1xwn s LEU 27 Ca -0.02 0.47 -0.18 0.00 -1.03 0.00 0.00 54.13 53.38 1xwn s LEU 27 Cb -0.14 -3.16 0.15 0.00 0.03 0.00 0.00 46.19 43.07 1xwn s LEU 27 CO 0.03 0.10 1.02 -0.31 0.23 0.00 0.00 176.35 177.42 1xwn s TYR 28 N -1.59 3.26 -0.63 0.29 1.51 -1.20 -4.87 117.35 114.11 1xwn s TYR 28 Ca 0.38 -1.50 0.00 0.00 -1.01 0.00 0.00 57.07 54.95 1xwn s TYR 28 Cb -0.12 -4.16 0.02 0.00 -0.11 0.00 0.00 41.96 37.58 1xwn s TYR 28 CO 0.26 -1.36 0.71 0.91 -1.11 0.00 0.00 175.55 174.95 1xwn n TRP 29 N 5.94 0.06 0.00 2.71 7.02 -1.26 -1.91 117.44 129.99 1xwn n TRP 29 Ca 0.19 -0.20 0.00 0.00 -1.02 0.00 0.00 57.50 56.47 1xwn n TRP 29 Cb 0.48 -0.17 0.00 0.00 -2.42 0.00 0.00 31.31 29.21 1xwn n TRP 29 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xwn n LYS 30 N 0.18 0.00 -0.00 -0.99 4.76 -1.26 -4.52 118.16 116.32 1xwn n LYS 30 Ca 0.01 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.55 1xwn n LYS 30 Cb 0.36 -0.39 -0.13 0.00 -1.84 0.00 0.00 35.03 33.03 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xwn n HIS 31 N -2.30 0.00 0.81 2.13 8.25 -1.26 -4.40 115.22 118.44 1xwn n HIS 31 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1xwn n HIS 31 Cb 0.00 -0.18 0.13 0.00 1.12 0.00 0.00 29.99 31.07 1xwn n HIS 31 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xwn n ALA 32 N -1.75 2.45 -0.36 -1.41 0.00 -0.80 -4.65 120.51 113.98 1xwn n ALA 32 Ca 0.01 -0.77 0.32 0.00 0.00 0.00 0.00 53.44 52.99 1xwn n ALA 32 Cb 0.40 -0.82 0.55 0.00 0.00 0.00 0.00 19.45 19.58 1xwn n ALA 32 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1xwn n PRO 33 N 1.39 -0.04 0.39 0.00 -0.02 -1.15 -0.27 135.00 135.30 1xwn n PRO 33 Ca 0.15 1.10 -0.18 0.00 -2.02 0.00 0.00 63.50 62.55 1xwn n PRO 33 Cb 0.60 -2.10 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 1xwn n PRO 33 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1xwn h LYS 34 N 0.00 -1.08 -0.27 -0.52 1.79 -1.91 0.15 116.57 114.74 1xwn h LYS 34 Ca 0.74 0.07 -0.09 0.00 -2.18 0.00 0.00 60.65 59.19 1xwn h LYS 34 Cb 2.24 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 33.12 1xwn h LYS 34 CO -0.48 -0.72 -0.23 1.79 -1.08 0.00 0.00 179.45 178.74 1xwn h THR 35 N -1.12 1.26 0.00 -0.16 1.35 -1.05 -2.86 112.91 110.34 1xwn h THR 35 Ca -0.10 -1.22 0.01 0.00 -0.55 0.00 0.00 66.41 64.55 1xwn h THR 35 Cb 0.90 1.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1xwn h THR 35 CO 0.08 0.39 -0.04 0.00 -0.25 0.00 0.00 175.52 175.70 1xwn h LYS 37 N -0.07 1.12 0.26 0.00 1.57 -0.61 0.83 116.57 119.67 1xwn h LYS 37 Ca 0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1xwn h LYS 37 Cb 0.09 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.16 1xwn h LYS 37 CO -0.04 0.74 -0.13 -0.97 -0.57 0.00 0.00 179.45 178.48 1xwn h ASN 38 N 1.15 -0.30 -0.67 0.86 -0.73 -1.19 -0.27 115.58 114.43 1xwn h ASN 38 Ca 0.42 -0.10 0.06 0.00 1.87 0.00 0.00 56.30 58.55 1xwn h ASN 38 Cb 0.16 0.08 -0.05 0.00 0.27 0.00 0.00 38.32 38.78 1xwn h ASN 38 CO -0.17 -0.08 0.37 0.15 -0.37 0.00 0.00 177.43 177.33 1xwn h PHE 39 N -0.52 0.68 -0.64 0.67 3.04 -0.44 -0.54 116.94 119.20 1xwn h PHE 39 Ca -0.04 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.91 1xwn h PHE 39 Cb 0.38 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1xwn h PHE 39 CO -0.01 0.33 0.30 0.00 -2.02 0.00 0.00 178.31 176.90 1xwn h ALA 40 N 1.35 0.82 -0.57 2.41 0.00 -0.74 -2.13 119.26 120.39 1xwn h ALA 40 Ca 0.30 -0.14 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1xwn h ALA 40 Cb 0.18 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 1xwn h ALA 40 CO -0.18 0.40 0.08 1.49 0.00 0.00 0.00 179.25 181.04 1xwn h GLU 41 N 0.88 0.92 -0.72 0.00 4.81 -0.36 -1.72 114.58 118.39 1xwn h GLU 41 Ca 0.22 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 59.16 1xwn h GLU 41 Cb 0.14 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 1xwn h GLU 41 CO -0.03 0.86 0.22 -0.07 -0.73 0.00 0.00 179.01 179.26 1xwn h LEU 42 N 0.87 1.05 -0.53 1.64 3.38 -0.78 0.12 115.31 121.06 1xwn h LEU 42 Ca 0.18 -0.20 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1xwn h LEU 42 Cb 0.40 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1xwn h LEU 42 CO 0.01 0.98 -0.48 0.00 0.09 0.00 0.00 178.44 179.04 1xwn h ALA 43 N 1.16 0.71 0.10 1.53 0.00 -1.13 0.49 119.26 122.13 1xwn h ALA 43 Ca 0.23 -0.48 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1xwn h ALA 43 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1xwn h ALA 43 CO -0.01 0.67 -0.05 0.00 0.00 0.00 0.00 179.25 179.87 1xwn h ARG 44 N 0.50 -0.13 -0.43 0.00 3.08 -1.06 -3.27 114.38 113.07 1xwn h ARG 44 Ca 0.03 0.01 0.02 0.00 0.07 0.00 0.00 59.98 60.10 1xwn h ARG 44 Cb 1.03 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1xwn h ARG 44 CO 0.10 0.37 0.28 -0.09 -1.07 0.00 0.00 179.97 179.56 1xwn h ARG 45 N -0.78 0.49 0.00 0.04 1.12 -0.85 -3.46 114.38 110.94 1xwn h ARG 45 Ca -0.01 -0.03 0.00 0.00 -1.11 0.00 0.00 59.98 58.83 1xwn h ARG 45 Cb 0.57 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 1xwn h ARG 45 CO 0.02 0.33 0.00 0.41 -3.11 0.00 0.00 179.97 177.62 1xwn n GLY 46 N -1.48 1.79 0.09 2.80 0.00 -0.75 -5.05 105.19 102.58 1xwn n GLY 46 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.95 1xwn n GLY 46 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1xwn h TYR 47 N 0.00 -0.07 -0.63 1.61 5.03 -0.32 -3.33 116.97 119.26 1xwn h TYR 47 Ca 0.00 -0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 1xwn h TYR 47 Cb 0.00 0.02 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1xwn h TYR 47 CO 0.00 0.53 0.14 1.88 -1.32 0.00 0.00 178.16 179.39 1xwn h TYR 48 N -0.90 1.08 -2.63 -3.82 0.05 -1.89 -3.40 116.97 105.46 1xwn h TYR 48 Ca -0.01 -0.14 -0.52 0.00 0.05 0.00 0.00 58.73 58.11 1xwn h TYR 48 Cb 0.63 -0.30 0.05 0.00 1.01 0.00 0.00 36.73 38.11 1xwn h TYR 48 CO 0.15 0.91 1.04 -0.80 -1.05 0.00 0.00 178.16 178.41 1xwn s ASN 49 N -6.37 6.44 0.00 3.88 0.01 -1.25 -1.97 114.94 115.68 1xwn s ASN 49 Ca -0.12 2.76 0.00 0.00 -0.71 0.00 0.00 52.86 54.78 1xwn s ASN 49 Cb 0.14 -2.58 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1xwn s ASN 49 CO 0.83 -0.96 0.00 0.61 -1.51 0.00 0.00 177.10 176.07 1xwn n GLY 50 N 4.07 2.63 3.92 0.66 0.00 -0.50 -4.96 105.19 111.01 1xwn n GLY 50 Ca 0.16 -0.19 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 1xwn n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xwn s THR 51 N -2.26 2.15 0.07 2.61 -4.23 -0.83 -4.82 115.64 108.33 1xwn s THR 51 Ca 0.00 -0.15 -0.07 0.00 -1.18 0.00 0.00 61.69 60.29 1xwn s THR 51 Cb 0.00 -3.00 -0.01 0.00 1.34 0.00 0.00 72.50 70.83 1xwn s THR 51 CO 0.00 0.00 0.14 -1.59 -0.54 0.00 0.00 174.62 172.63 1xwn s LYS 52 N -5.40 0.77 -0.13 3.99 0.00 -1.26 -1.23 119.74 116.47 1xwn s LYS 52 Ca 0.61 -0.97 -0.29 0.00 0.00 0.00 0.00 55.97 55.32 1xwn s LYS 52 Cb -0.11 0.31 -0.04 0.00 0.00 0.00 0.00 37.83 37.98 1xwn s LYS 52 CO 0.47 -0.22 1.68 -0.06 0.00 0.00 0.00 175.35 177.22 1xwn s PHE 53 N -3.68 1.96 -0.12 1.78 0.08 -1.21 -4.05 117.98 112.74 1xwn s PHE 53 Ca 0.04 0.34 -0.07 0.00 0.12 0.00 0.00 56.93 57.36 1xwn s PHE 53 Cb 0.05 -3.95 -0.02 0.00 -0.57 0.00 0.00 43.02 38.52 1xwn s PHE 53 CO -0.10 -3.54 -0.14 0.45 -0.10 0.00 0.00 175.22 171.80 1xwn h HIS 54 N 10.42 0.00 -3.41 0.36 3.86 -1.92 -3.47 115.15 120.99 1xwn h HIS 54 Ca -0.37 0.00 -0.59 0.00 -1.16 0.00 0.00 60.37 58.24 1xwn h HIS 54 Cb 1.17 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.55 1xwn h HIS 54 CO 0.90 0.00 0.13 1.03 0.86 0.00 0.00 177.93 180.85 1xwn s ARG 55 N -1.99 4.21 -0.16 2.45 0.52 -1.25 -4.66 118.95 118.07 1xwn s ARG 55 Ca -0.11 0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 55.69 1xwn s ARG 55 Cb 0.02 -3.58 0.07 0.00 0.52 0.00 0.00 34.95 31.97 1xwn s ARG 55 CO 0.17 -0.25 0.14 0.42 0.02 0.00 0.00 175.30 175.80 1xwn s ILE 56 N 1.94 -0.19 -0.25 1.52 1.01 -1.09 -2.39 121.20 121.75 1xwn s ILE 56 Ca 0.29 -0.02 -0.16 0.00 0.00 0.00 0.00 60.65 60.75 1xwn s ILE 56 Cb -0.16 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1xwn s ILE 56 CO 0.10 -0.16 0.44 -0.63 0.00 0.00 0.00 174.94 174.70 1xwn s ILE 57 N 2.22 5.13 0.08 2.92 1.09 -0.70 -4.45 121.20 127.49 1xwn s ILE 57 Ca 0.04 0.74 -0.31 0.00 -1.10 0.00 0.00 60.65 60.02 1xwn s ILE 57 Cb -0.15 -3.76 -0.09 0.00 -1.06 0.00 0.00 42.46 37.40 1xwn s ILE 57 CO -0.09 0.14 1.79 -0.75 -0.10 0.00 0.00 174.94 175.93 1xwn s LYS 58 N 2.03 4.16 -1.09 2.79 2.36 -1.26 -3.05 119.74 125.68 1xwn s LYS 58 Ca 0.19 2.49 -0.06 0.00 -2.55 0.00 0.00 55.97 56.04 1xwn s LYS 58 Cb -0.16 -3.74 -0.05 0.00 -1.05 0.00 0.00 37.83 32.83 1xwn s LYS 58 CO 0.09 -0.83 0.92 -3.47 1.55 0.00 0.00 175.35 173.61 1xwn n ASP 59 N 6.15 -5.63 0.00 1.43 2.03 -1.15 -4.86 116.55 114.51 1xwn n ASP 59 Ca 0.18 -0.72 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1xwn n ASP 59 Cb 0.40 -5.05 0.00 0.00 -0.72 0.00 0.00 41.12 35.75 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1xwn n PHE 60 N -3.47 -0.89 -3.82 -0.67 7.35 -1.17 -4.83 117.46 109.96 1xwn n PHE 60 Ca -0.12 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.49 1xwn n PHE 60 Cb 0.63 0.18 0.02 0.00 0.35 0.00 0.00 39.48 40.65 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1xwn s MET 61 N -0.53 2.16 -0.28 -4.13 0.23 -1.19 -2.50 119.30 113.05 1xwn s MET 61 Ca 0.00 -1.36 0.01 0.00 -1.03 0.00 0.00 55.69 53.30 1xwn s MET 61 Cb 0.00 0.62 0.15 0.00 -1.53 0.00 0.00 34.83 34.07 1xwn s MET 61 CO 0.00 -1.01 0.38 -1.50 -2.03 0.00 0.00 175.02 170.87 1xwn s ILE 62 N -2.55 -0.59 -0.03 3.16 2.07 -0.94 -1.71 121.20 120.61 1xwn s ILE 62 Ca 0.15 -0.29 -0.22 0.00 -1.41 0.00 0.00 60.65 58.88 1xwn s ILE 62 Cb -0.05 -0.96 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 1xwn s ILE 62 CO 0.11 -0.28 0.66 -1.58 -1.91 0.00 0.00 174.94 171.93 1xwn s GLN 63 N 2.51 4.40 0.08 3.50 0.74 -1.00 -1.15 119.66 128.74 1xwn s GLN 63 Ca 0.10 0.84 0.02 0.00 0.05 0.00 0.00 55.36 56.37 1xwn s GLN 63 Cb -0.13 -3.39 -0.04 0.00 1.10 0.00 0.00 33.01 30.54 1xwn s GLN 63 CO -0.28 0.22 0.14 0.20 -0.55 0.00 0.00 175.29 175.02 1xwn s GLY 64 N 0.29 2.06 0.80 2.59 0.00 0.10 -3.85 107.32 109.31 1xwn s GLY 64 Ca 0.35 -0.96 -0.11 0.00 0.00 0.00 0.00 44.72 44.00 1xwn s GLY 64 CO 0.18 -0.94 1.15 -0.32 0.00 0.00 0.00 173.10 173.17 1xwn s GLY 65 N -2.51 1.65 0.00 0.20 0.00 -1.26 -3.34 107.32 102.06 1xwn s GLY 65 Ca 0.32 -0.83 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1xwn s GLY 65 CO 0.25 -0.32 0.00 1.34 0.00 0.00 0.00 173.10 174.37 1xwn n ASP 66 N -3.26 0.00 -1.88 1.64 2.03 -1.26 -4.88 116.55 108.95 1xwn n ASP 66 Ca 0.09 0.00 -0.09 0.00 0.52 0.00 0.00 54.79 55.31 1xwn n ASP 66 Cb 0.61 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.89 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xwn n PRO 67 N 0.00 1.74 -2.70 -0.67 -0.04 -1.26 -3.81 135.00 128.25 1xwn n PRO 67 Ca 0.00 -0.77 -0.02 0.00 -0.04 0.00 0.00 63.50 62.66 1xwn n PRO 67 Cb 0.00 -1.72 0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1xwn n PRO 67 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xwn n THR 68 N 2.15 0.23 -1.56 0.52 -1.04 -1.26 -3.30 114.28 110.02 1xwn n THR 68 Ca 0.31 -1.39 -0.04 0.00 -2.04 0.00 0.00 64.05 60.89 1xwn n THR 68 Cb 0.79 1.05 0.18 0.00 -1.82 0.00 0.00 70.33 70.53 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwn n GLY 69 N -1.30 5.17 0.21 3.41 0.00 -1.25 -4.65 105.19 106.78 1xwn n GLY 69 Ca -0.12 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.47 1xwn n GLY 69 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xwn n THR 70 N -1.08 0.00 0.00 2.61 5.66 -1.26 -5.08 114.28 115.13 1xwn n THR 70 Ca 0.31 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.31 1xwn n THR 70 Cb 0.91 -0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.29 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 71 N 2.62 0.97 1.20 1.09 0.00 -1.26 -4.97 105.19 104.83 1xwn n GLY 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1xwn n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xwn n ARG 72 N 0.00 0.00 -3.52 1.61 0.00 -1.26 -5.16 116.66 108.32 1xwn n ARG 72 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 57.85 57.67 1xwn n ARG 72 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 1xwn s GLY 73 N -2.00 -0.57 -0.57 5.14 0.00 -1.26 -5.12 107.32 102.94 1xwn s GLY 73 Ca 0.00 1.36 -0.19 0.00 0.00 0.00 0.00 44.72 45.88 1xwn s GLY 73 CO 0.00 0.98 0.69 -0.32 0.00 0.00 0.00 173.10 174.45 1xwn s GLY 74 N -1.15 1.75 0.33 0.20 0.00 -1.21 -4.81 107.32 102.43 1xwn s GLY 74 Ca -0.10 -2.06 0.02 0.00 0.00 0.00 0.00 44.72 42.58 1xwn s GLY 74 CO 0.10 1.57 0.50 0.00 0.00 0.00 0.00 173.10 175.27 1xwn s ALA 75 N 2.73 3.82 0.42 3.20 0.00 -1.26 -4.91 121.76 125.75 1xwn s ALA 75 Ca 0.13 -1.07 0.08 0.00 0.00 0.00 0.00 51.96 51.10 1xwn s ALA 75 Cb -0.22 -1.97 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1xwn s ALA 75 CO 0.08 0.01 0.53 -1.54 0.00 0.00 0.00 175.76 174.84 1xwn s SER 76 N -4.05 5.56 0.36 0.00 1.04 -0.37 -4.97 113.70 111.27 1xwn s SER 76 Ca 0.40 -0.47 0.13 0.00 0.48 0.00 0.00 55.95 56.48 1xwn s SER 76 Cb -0.09 -0.67 0.69 0.00 0.10 0.00 0.00 66.02 66.04 1xwn s SER 76 CO 0.34 -0.73 1.80 0.16 0.98 0.00 0.00 173.24 175.80 1xwn h ILE 77 N 0.72 1.28 0.17 -1.02 3.07 -1.95 -3.18 117.51 116.60 1xwn h ILE 77 Ca -0.40 -1.36 -0.26 0.00 1.55 0.00 0.00 64.86 64.39 1xwn h ILE 77 Cb 1.28 1.73 0.02 0.00 -0.27 0.00 0.00 36.82 39.58 1xwn h ILE 77 CO 0.48 0.39 -1.18 1.88 -1.05 0.00 0.00 178.15 178.66 1xwn h TYR 78 N 0.00 0.65 0.00 0.16 0.05 -1.99 -3.50 116.97 112.34 1xwn h TYR 78 Ca -0.00 -0.48 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1xwn h TYR 78 Cb 0.70 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1xwn h TYR 78 CO 0.00 1.46 0.00 0.41 -1.05 0.00 0.00 178.16 178.98 1xwn n GLY 79 N 1.71 1.77 0.14 3.88 0.00 -1.20 -5.06 105.19 106.42 1xwn n GLY 79 Ca -0.18 0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.84 1xwn n GLY 79 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xwn h LYS 80 N 0.00 -0.26 -2.93 1.61 1.63 -1.97 -0.96 116.57 113.70 1xwn h LYS 80 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1xwn h LYS 80 Cb 0.00 0.06 -0.12 0.00 -0.60 0.00 0.00 32.23 31.57 1xwn h LYS 80 CO 0.00 -0.17 0.24 1.14 -3.45 0.00 0.00 179.45 177.21 1xwn s GLN 81 N -2.40 1.29 0.33 1.90 1.03 -1.26 -3.54 119.66 117.01 1xwn s GLN 81 Ca -0.04 -0.51 0.05 0.00 0.04 0.00 0.00 55.36 54.90 1xwn s GLN 81 Cb 0.00 0.57 -0.03 0.00 0.03 0.00 0.00 33.01 33.58 1xwn s GLN 81 CO 0.12 -0.57 0.21 -0.59 -2.54 0.00 0.00 175.29 171.92 1xwn s PHE 82 N -3.71 1.68 0.80 9.60 -0.71 -1.26 -4.88 117.98 119.51 1xwn s PHE 82 Ca 0.03 -1.51 -0.07 0.00 -1.04 0.00 0.00 56.93 54.34 1xwn s PHE 82 Cb -0.02 -0.83 0.14 0.00 -1.21 0.00 0.00 43.02 41.11 1xwn s PHE 82 CO -0.10 -0.66 1.11 -1.21 -1.34 0.00 0.00 175.22 173.01 1xwn s GLU 83 N -3.63 1.38 0.73 1.99 8.01 -1.26 0.25 118.70 126.16 1xwn s GLU 83 Ca 0.36 -0.78 0.00 0.00 0.01 0.00 0.00 54.97 54.56 1xwn s GLU 83 Cb 0.03 -2.15 0.14 0.00 -4.31 0.00 0.00 34.13 27.84 1xwn s GLU 83 CO 0.22 -1.75 1.01 0.16 0.01 0.00 0.00 175.26 174.90 1xwn s ASP 84 N -4.76 4.27 -0.02 -0.19 -4.77 -1.26 -4.74 116.67 105.20 1xwn s ASP 84 Ca 0.68 -0.49 0.01 0.00 -3.30 0.00 0.00 52.55 49.45 1xwn s ASP 84 Cb -0.05 0.18 0.01 0.00 -1.09 0.00 0.00 42.92 41.97 1xwn s ASP 84 CO 0.47 -1.92 -0.04 -1.61 0.70 0.00 0.00 175.17 172.77 1xwn s GLU 85 N -5.15 0.48 -0.20 2.11 8.01 -1.26 -5.12 118.70 117.57 1xwn s GLU 85 Ca 0.67 -0.12 -0.11 0.00 0.01 0.00 0.00 54.97 55.42 1xwn s GLU 85 Cb -0.04 -0.51 0.07 0.00 -4.31 0.00 0.00 34.13 29.34 1xwn s GLU 85 CO 0.45 0.03 0.49 -0.51 0.01 0.00 0.00 175.26 175.73 1xwn s LEU 86 N 0.30 -0.38 0.15 1.80 1.43 -1.26 -4.62 118.68 116.10 1xwn s LEU 86 Ca -0.03 1.08 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1xwn s LEU 86 Cb -0.07 1.65 0.00 0.00 0.03 0.00 0.00 46.19 47.81 1xwn s LEU 86 CO -0.00 -0.21 0.00 1.41 0.23 0.00 0.00 176.35 177.78 1xwn n HIS 87 N 4.35 -2.82 0.32 0.29 8.25 -1.26 -4.95 115.22 119.40 1xwn n HIS 87 Ca -0.22 0.50 0.11 0.00 -0.26 0.00 0.00 57.72 57.86 1xwn n HIS 87 Cb 0.56 1.52 0.51 0.00 1.12 0.00 0.00 29.99 33.70 1xwn n HIS 87 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1xwn n PRO 88 N -2.87 0.17 0.00 -0.41 -0.04 -1.26 -4.89 135.00 125.70 1xwn n PRO 88 Ca 0.00 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 1xwn n PRO 88 Cb 0.00 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 1xwn n PRO 88 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xwn n ASP 89 N -2.21 0.00 -1.05 3.54 8.00 -1.26 -4.91 116.55 118.67 1xwn n ASP 89 Ca 0.01 0.00 0.09 0.00 0.71 0.00 0.00 54.79 55.60 1xwn n ASP 89 Cb 0.16 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.21 1xwn n ASP 89 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xwn n LEU 90 N 0.00 -0.85 -4.72 0.64 4.32 -1.26 -4.86 117.00 110.27 1xwn n LEU 90 Ca 0.00 1.80 -0.39 0.00 -0.02 0.00 0.00 56.01 57.40 1xwn n LEU 90 Cb 0.00 -2.10 0.04 0.00 -1.62 0.00 0.00 43.42 39.74 1xwn n LEU 90 CO 0.00 -1.28 0.93 1.17 -1.22 0.00 0.00 177.39 176.98 1xwn n LYS 91 N -3.32 1.69 -1.22 3.23 4.81 -1.26 -4.95 118.16 117.15 1xwn n LYS 91 Ca -0.05 0.62 -0.01 0.00 -0.87 0.00 0.00 58.31 58.00 1xwn n LYS 91 Cb 0.45 -2.50 -0.02 0.00 0.02 0.00 0.00 35.03 32.98 1xwn n LYS 91 CO 0.00 0.00 0.00 1.19 1.17 0.00 0.00 177.40 179.76 1xwn n PHE 92 N -0.90 0.00 0.00 5.64 3.72 -1.26 -4.94 117.46 119.72 1xwn n PHE 92 Ca 0.10 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 1xwn n PHE 92 Cb 0.44 0.13 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 1xwn n PHE 92 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 1xwn n THR 93 N 0.26 0.00 -1.68 4.37 5.66 -1.26 -3.83 114.28 117.80 1xwn n THR 93 Ca -0.08 0.00 -0.46 0.00 -3.05 0.00 0.00 64.05 60.46 1xwn n THR 93 Cb 0.93 -0.44 -0.04 0.00 -1.55 0.00 0.00 70.33 69.23 1xwn n THR 93 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 94 N 1.71 1.48 3.56 1.09 0.00 -1.26 -3.12 105.19 108.65 1xwn n GLY 94 Ca 0.00 0.79 -0.52 0.00 0.00 0.00 0.00 46.02 46.29 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn n ALA 95 N 5.94 -1.58 0.00 4.61 0.00 -1.26 -4.12 120.51 124.10 1xwn n ALA 95 Ca 0.20 0.52 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1xwn n ALA 95 Cb 0.32 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1xwn n ALA 95 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 96 N 2.15 0.89 3.05 0.00 0.00 0.75 -4.94 105.19 107.08 1xwn n GLY 96 Ca 0.18 -0.82 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 1xwn n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwn s ILE 97 N -1.91 1.16 -0.40 -0.61 -1.09 -0.87 -3.44 121.20 114.03 1xwn s ILE 97 Ca 0.00 -0.53 -0.06 0.00 -2.23 0.00 0.00 60.65 57.83 1xwn s ILE 97 Cb 0.00 -1.03 0.09 0.00 -1.58 0.00 0.00 42.46 39.93 1xwn s ILE 97 CO 0.00 0.35 0.22 -0.76 -1.23 0.00 0.00 174.94 173.52 1xwn s LEU 98 N 0.40 5.07 -0.06 2.97 1.43 -0.73 -1.39 118.68 126.37 1xwn s LEU 98 Ca -0.09 -1.67 0.02 0.00 -1.03 0.00 0.00 54.13 51.36 1xwn s LEU 98 Cb -0.13 -1.91 -0.03 0.00 0.03 0.00 0.00 46.19 44.15 1xwn s LEU 98 CO 0.03 -0.52 -0.09 0.00 0.23 0.00 0.00 176.35 176.00 1xwn s ALA 99 N 1.31 2.90 -0.51 4.21 0.00 -1.15 -0.48 121.76 128.03 1xwn s ALA 99 Ca 0.04 -0.92 -0.29 0.00 0.00 0.00 0.00 51.96 50.79 1xwn s ALA 99 Cb -0.23 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.77 1xwn s ALA 99 CO -0.00 0.57 1.17 -1.64 0.00 0.00 0.00 175.76 175.86 1xwn s MET 100 N -0.82 3.64 0.30 0.00 -1.94 0.32 -2.87 119.30 117.94 1xwn s MET 100 Ca 0.12 0.48 -0.10 0.00 -1.71 0.00 0.00 55.69 54.48 1xwn s MET 100 Cb -0.11 -3.95 -0.07 0.00 2.01 0.00 0.00 34.83 32.71 1xwn s MET 100 CO 0.01 -1.50 0.65 0.00 -0.01 0.00 0.00 175.02 174.17 1xwn s ALA 101 N 4.70 3.47 0.05 3.03 0.00 -1.19 -3.16 121.76 128.66 1xwn s ALA 101 Ca 0.47 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.24 1xwn s ALA 101 Cb -0.07 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1xwn s ALA 101 CO 0.30 0.30 -0.14 -0.80 0.00 0.00 0.00 175.76 175.42 1xwn s ASN 102 N -2.68 1.61 0.00 0.00 0.01 -1.26 -4.11 114.94 108.52 1xwn s ASN 102 Ca 0.49 -0.52 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 1xwn s ASN 102 Cb -0.11 -0.08 0.00 0.00 0.41 0.00 0.00 41.25 41.48 1xwn s ASN 102 CO 0.24 -0.02 0.65 0.00 -1.51 0.00 0.00 177.10 176.46 1xwn n ALA 103 N 1.65 -0.25 -2.33 0.60 0.00 -1.24 -4.92 120.51 114.02 1xwn n ALA 103 Ca -0.19 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.00 1xwn n ALA 103 Cb 0.54 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.98 1xwn n ALA 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xwn s GLY 104 N -0.83 2.26 0.25 0.00 0.00 -1.26 -5.06 107.32 102.68 1xwn s GLY 104 Ca 0.00 -1.53 -0.30 0.00 0.00 0.00 0.00 44.72 42.89 1xwn s GLY 104 CO 0.00 -1.86 1.36 2.56 0.00 0.00 0.00 173.10 175.16 1xwn s PRO 105 N -4.26 4.33 -1.75 2.90 0.04 -1.26 -2.67 135.00 132.33 1xwn s PRO 105 Ca 0.40 2.19 -0.00 0.00 0.04 0.00 0.00 61.00 63.63 1xwn s PRO 105 Cb -0.02 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.39 1xwn s PRO 105 CO 0.24 -0.30 0.05 -0.25 0.04 0.00 0.00 177.00 176.78 1xwn n ASP 106 N 2.09 -5.89 -3.47 6.66 9.92 -1.26 -4.95 116.55 119.65 1xwn n ASP 106 Ca 0.05 -0.04 -0.28 0.00 -0.53 0.00 0.00 54.79 53.98 1xwn n ASP 106 Cb 0.41 -4.88 -0.12 0.00 -0.64 0.00 0.00 41.12 35.90 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1xwn s THR 107 N -3.04 0.34 -0.04 -3.53 2.01 -1.09 -4.41 115.64 105.88 1xwn s THR 107 Ca 0.02 -2.08 -0.27 0.00 0.31 0.00 0.00 61.69 59.68 1xwn s THR 107 Cb -0.01 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1xwn s THR 107 CO 0.03 -1.05 0.84 0.20 -0.69 0.00 0.00 174.62 173.95 1xwn s ASN 108 N 0.69 7.17 0.00 3.53 0.02 0.14 -3.66 114.94 122.83 1xwn s ASN 108 Ca 0.22 1.42 0.00 0.00 -1.02 0.00 0.00 52.86 53.48 1xwn s ASN 108 Cb -0.15 -2.49 0.00 0.00 0.02 0.00 0.00 41.25 38.63 1xwn s ASN 108 CO -0.05 -0.20 0.00 0.61 0.02 0.00 0.00 177.10 177.48 1xwn n GLY 109 N 3.02 0.69 1.47 0.66 0.00 -1.26 -4.00 105.19 105.77 1xwn n GLY 109 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.01 1xwn n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xwn n SER 110 N 0.00 -0.46 -4.96 1.61 7.64 -1.26 -4.88 113.62 111.32 1xwn n SER 110 Ca 0.00 -2.03 -0.22 0.00 1.01 0.00 0.00 58.87 57.62 1xwn n SER 110 Cb 0.00 0.17 0.00 0.00 -1.01 0.00 0.00 64.21 63.37 1xwn n SER 110 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 1xwn s GLN 111 N -0.21 3.21 -0.28 1.43 -1.52 -1.26 -4.25 119.66 116.78 1xwn s GLN 111 Ca 0.11 -0.57 -0.12 0.00 -1.95 0.00 0.00 55.36 52.83 1xwn s GLN 111 Cb 0.17 -2.66 0.10 0.00 -0.22 0.00 0.00 33.01 30.41 1xwn s GLN 111 CO -0.06 -0.05 0.64 -0.59 -0.25 0.00 0.00 175.29 174.98 1xwn s PHE 112 N -2.38 -1.17 -0.10 0.91 -0.71 -1.21 -3.14 117.98 110.17 1xwn s PHE 112 Ca 0.45 2.16 -0.01 0.00 -1.04 0.00 0.00 56.93 58.49 1xwn s PHE 112 Cb -0.10 0.68 -0.03 0.00 -1.21 0.00 0.00 43.02 42.37 1xwn s PHE 112 CO 0.35 -0.59 -0.08 -0.59 -1.34 0.00 0.00 175.22 172.98 1xwn s PHE 113 N 2.33 2.92 -0.46 3.49 -0.71 -1.14 0.02 117.98 124.44 1xwn s PHE 113 Ca -0.07 -0.21 -0.15 0.00 -1.04 0.00 0.00 56.93 55.46 1xwn s PHE 113 Cb -0.09 -1.80 0.07 0.00 -1.21 0.00 0.00 43.02 39.98 1xwn s PHE 113 CO -0.19 0.11 0.37 0.08 -1.34 0.00 0.00 175.22 174.25 1xwn s VAL 114 N -0.24 5.10 -0.12 -2.49 1.01 -0.30 -2.95 120.40 120.42 1xwn s VAL 114 Ca 0.03 -1.08 -0.27 0.00 0.00 0.00 0.00 61.98 60.66 1xwn s VAL 114 Cb -0.13 -4.04 -0.02 0.00 0.00 0.00 0.00 36.38 32.19 1xwn s VAL 114 CO 0.03 -0.55 0.90 0.42 0.00 0.00 0.00 175.10 175.90 1xwn s THR 115 N 1.62 4.86 -0.52 3.92 -4.23 -0.48 -2.22 115.64 118.59 1xwn s THR 115 Ca 0.04 1.82 0.04 0.00 -1.18 0.00 0.00 61.69 62.42 1xwn s THR 115 Cb -0.24 -4.22 0.03 0.00 1.34 0.00 0.00 72.50 69.41 1xwn s THR 115 CO 0.06 0.05 0.58 0.00 -0.54 0.00 0.00 174.62 174.78 1xwn n LEU 116 N 4.88 1.23 -4.29 4.79 -0.00 -1.04 -0.18 117.00 122.39 1xwn n LEU 116 Ca 0.06 -0.94 -0.30 0.00 -0.00 0.00 0.00 56.01 54.83 1xwn n LEU 116 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 43.42 43.75 1xwn n LEU 116 CO 0.50 0.27 -0.56 0.00 -0.00 0.00 0.00 177.39 177.60 1xwn s ALA 117 N -0.50 2.04 -0.29 1.47 0.00 -1.20 -4.25 121.76 119.03 1xwn s ALA 117 Ca 0.05 -1.06 -0.35 0.00 0.00 0.00 0.00 51.96 50.60 1xwn s ALA 117 Cb 0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 23.12 22.53 1xwn s ALA 117 CO 0.07 0.50 2.10 -2.30 0.00 0.00 0.00 175.76 176.13 1xwn n PRO 118 N 2.47 1.33 -3.79 0.00 -0.02 -1.18 -4.85 135.00 128.95 1xwn n PRO 118 Ca -0.16 0.40 -0.30 0.00 -2.02 0.00 0.00 63.50 61.42 1xwn n PRO 118 Cb 0.52 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 1xwn n PRO 118 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xwn s THR 119 N 6.55 1.31 -0.09 3.45 -4.23 -1.25 -4.95 115.64 116.43 1xwn s THR 119 Ca 1.05 -1.87 0.10 0.00 -1.18 0.00 0.00 61.69 59.79 1xwn s THR 119 Cb -0.81 -1.97 -0.24 0.00 1.34 0.00 0.00 72.50 70.83 1xwn s THR 119 CO 0.50 -0.71 0.50 0.00 -0.54 0.00 0.00 174.62 174.37 1xwn n GLN 120 N 4.42 0.66 -0.33 3.99 6.02 -1.26 -3.46 117.38 127.43 1xwn n GLN 120 Ca 0.02 0.24 -0.01 0.00 -0.01 0.00 0.00 57.00 57.24 1xwn n GLN 120 Cb 0.40 -1.73 0.15 0.00 1.02 0.00 0.00 30.24 30.08 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.06 176.16 1xwn h TRP 121 N 0.01 1.16 -0.02 1.08 0.09 -1.95 -1.83 115.95 114.50 1xwn h TRP 121 Ca -0.36 0.03 0.00 0.00 0.09 0.00 0.00 58.89 58.65 1xwn h TRP 121 Cb 2.05 -0.39 0.00 0.00 0.08 0.00 0.00 29.16 30.89 1xwn h TRP 121 CO 0.01 0.73 -0.04 1.47 0.09 0.00 0.00 178.44 180.71 1xwn n LEU 122 N -4.39 1.93 -4.57 0.11 -0.00 -1.26 -4.81 117.00 104.02 1xwn n LEU 122 Ca 0.11 -0.64 -0.19 0.00 -0.00 0.00 0.00 56.01 55.29 1xwn n LEU 122 Cb 0.02 -0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.35 1xwn n LEU 122 CO 0.37 0.33 1.25 -0.62 -0.00 0.00 0.00 177.39 178.71 1xwn s ASP 123 N -2.06 4.18 0.00 1.45 -1.08 -0.69 -1.47 116.67 117.01 1xwn s ASP 123 Ca 0.33 -0.69 0.00 0.00 -0.52 0.00 0.00 52.55 51.67 1xwn s ASP 123 Cb 0.20 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.09 1xwn s ASP 123 CO 0.35 -3.80 0.00 0.61 0.52 0.00 0.00 175.17 172.85 1xwn n GLY 124 N 6.46 2.02 0.21 2.66 0.00 -1.26 -5.00 105.19 110.29 1xwn n GLY 124 Ca 0.44 -0.15 -0.08 0.00 0.00 0.00 0.00 46.02 46.23 1xwn n GLY 124 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwn h LYS 125 N 0.00 0.68 -6.11 1.61 6.56 -1.58 -3.43 116.57 114.30 1xwn h LYS 125 Ca 0.00 -0.08 -0.63 0.00 -1.06 0.00 0.00 60.65 58.88 1xwn h LYS 125 Cb 0.00 -0.13 -0.08 0.00 -0.57 0.00 0.00 32.23 31.45 1xwn h LYS 125 CO 0.00 0.52 -0.57 -1.01 -2.06 0.00 0.00 179.45 176.33 1xwn s HIS 126 N -5.88 3.28 0.29 -1.35 3.76 -1.25 -5.00 115.29 109.13 1xwn s HIS 126 Ca -0.13 0.12 -0.10 0.00 -0.15 0.00 0.00 55.06 54.80 1xwn s HIS 126 Cb 0.12 -1.65 -0.07 0.00 1.11 0.00 0.00 32.58 32.08 1xwn s HIS 126 CO 0.75 0.54 0.62 0.99 -0.85 0.00 0.00 174.74 176.79 1xwn s THR 127 N -1.43 4.88 0.92 1.30 2.01 -1.19 -4.95 115.64 117.17 1xwn s THR 127 Ca 0.31 0.50 -0.15 0.00 0.31 0.00 0.00 61.69 62.66 1xwn s THR 127 Cb -0.12 -3.66 0.21 0.00 0.01 0.00 0.00 72.50 68.94 1xwn s THR 127 CO 0.24 -0.22 1.25 0.00 -0.69 0.00 0.00 174.62 175.19 1xwn n ILE 128 N -0.54 0.00 0.00 1.82 3.06 -1.26 0.12 119.36 122.56 1xwn n ILE 128 Ca 0.01 -0.98 0.00 0.00 -2.50 0.00 0.00 62.75 59.28 1xwn n ILE 128 Cb 0.53 -1.49 0.00 0.00 0.54 0.00 0.00 39.64 39.22 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1xwn n PHE 129 N -3.69 -0.22 -4.01 9.51 1.16 -1.03 -3.52 117.46 115.66 1xwn n PHE 129 Ca 0.16 0.00 -0.11 0.00 -1.87 0.00 0.00 57.45 55.63 1xwn n PHE 129 Cb 0.55 0.04 -0.04 0.00 -1.61 0.00 0.00 39.48 38.42 1xwn n PHE 129 CO 0.00 0.00 0.00 0.20 -1.87 0.00 0.00 176.76 175.09 1xwn s GLY 130 N -1.23 0.84 0.01 4.97 0.00 0.36 -3.25 107.32 109.03 1xwn s GLY 130 Ca 0.00 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.62 1xwn s GLY 130 CO 0.00 -0.74 0.00 -1.60 0.00 0.00 0.00 173.10 170.77 1xwn s ARG 131 N -3.57 0.30 -0.37 2.90 6.06 -0.73 -1.78 118.95 121.76 1xwn s ARG 131 Ca 0.25 -0.49 -0.21 0.00 -2.50 0.00 0.00 55.73 52.78 1xwn s ARG 131 Cb -0.01 0.11 0.01 0.00 0.06 0.00 0.00 34.95 35.12 1xwn s ARG 131 CO 0.13 -0.05 0.68 0.14 -2.50 0.00 0.00 175.30 173.69 1xwn s VAL 132 N -1.25 4.84 -0.17 7.11 -7.23 -1.22 -1.49 120.40 120.98 1xwn s VAL 132 Ca -0.14 0.61 0.05 0.00 -1.81 0.00 0.00 61.98 60.69 1xwn s VAL 132 Cb -0.08 -4.13 -0.22 0.00 0.56 0.00 0.00 36.38 32.50 1xwn s VAL 132 CO -0.00 -0.39 0.16 0.00 -0.31 0.00 0.00 175.10 174.56 1xwn s GLN 134 N -2.54 0.54 0.00 0.00 -2.07 -1.20 -4.92 119.66 109.47 1xwn s GLN 134 Ca -0.21 -0.37 0.00 0.00 -1.82 0.00 0.00 55.36 52.96 1xwn s GLN 134 Cb 0.08 -0.49 0.00 0.00 -1.09 0.00 0.00 33.01 31.50 1xwn s GLN 134 CO 0.74 -1.12 0.00 0.41 -1.32 0.00 0.00 175.29 174.00 1xwn n GLY 135 N 4.78 0.00 0.49 2.60 0.00 -1.26 -0.86 105.19 110.93 1xwn n GLY 135 Ca 0.06 0.00 0.35 0.00 0.00 0.00 0.00 46.02 46.43 1xwn n GLY 135 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xwn h ILE 136 N 0.00 0.25 -0.16 -0.61 2.10 -1.91 0.59 117.51 117.76 1xwn h ILE 136 Ca 0.00 -0.05 0.05 0.00 1.08 0.00 0.00 64.86 65.94 1xwn h ILE 136 Cb 0.00 0.09 -0.01 0.00 -1.09 0.00 0.00 36.82 35.82 1xwn h ILE 136 CO 0.00 0.03 0.19 1.23 -1.08 0.00 0.00 178.15 178.52 1xwn h GLY 137 N 0.14 0.00 1.08 8.18 0.00 -1.97 0.18 103.07 110.68 1xwn h GLY 137 Ca 0.74 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.76 1xwn h GLY 137 CO -0.29 0.00 -1.65 1.98 0.00 0.00 0.00 176.54 176.58 1xwn h MET 138 N 0.00 0.23 0.16 4.80 1.85 -0.16 -3.19 114.93 118.63 1xwn h MET 138 Ca 0.08 -0.39 -0.01 0.00 -0.61 0.00 0.00 59.70 58.76 1xwn h MET 138 Cb 0.45 0.15 0.00 0.00 0.43 0.00 0.00 31.60 32.63 1xwn h MET 138 CO -0.00 1.07 -0.08 0.28 -0.40 0.00 0.00 176.91 177.78 1xwn h VAL 139 N 0.06 0.86 -0.20 -5.77 2.07 -1.12 -3.14 116.25 109.01 1xwn h VAL 139 Ca -0.29 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.17 1xwn h VAL 139 Cb 2.02 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 1xwn h VAL 139 CO 0.14 0.22 0.14 -0.55 0.02 0.00 0.00 177.57 177.54 1xwn h ASN 140 N -0.84 0.08 -0.83 0.57 7.08 -0.90 -1.07 115.58 119.66 1xwn h ASN 140 Ca -0.02 -0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.18 1xwn h ASN 140 Cb 0.53 -0.02 -0.04 0.00 -2.08 0.00 0.00 38.32 36.71 1xwn h ASN 140 CO 0.04 0.05 0.46 -0.09 -2.08 0.00 0.00 177.43 175.81 1xwn h ARG 141 N 0.09 1.17 0.00 4.14 2.43 -1.58 0.22 114.38 120.86 1xwn h ARG 141 Ca 0.09 -0.14 -0.04 0.00 -0.81 0.00 0.00 59.98 59.08 1xwn h ARG 141 Cb 0.26 -0.23 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 1xwn h ARG 141 CO -0.01 0.86 -0.21 0.28 -1.51 0.00 0.00 179.97 179.38 1xwn h VAL 142 N 1.18 0.85 0.01 0.20 2.07 -1.14 -2.63 116.25 116.80 1xwn h VAL 142 Ca 0.30 -0.80 -0.26 0.00 0.82 0.00 0.00 66.70 66.76 1xwn h VAL 142 Cb 0.03 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.23 1xwn h VAL 142 CO -0.05 0.20 -1.40 1.23 0.02 0.00 0.00 177.57 177.57 1xwn h GLY 143 N 0.97 0.04 1.58 2.17 0.00 -1.17 -3.33 103.07 103.32 1xwn h GLY 143 Ca -0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 1xwn h GLY 143 CO 0.03 0.08 -0.18 -0.33 0.00 0.00 0.00 176.54 176.14 1xwn h MET 144 N 0.01 0.49 -7.15 4.80 2.07 -0.64 -3.04 114.93 111.47 1xwn h MET 144 Ca -0.17 -0.16 -0.41 0.00 -2.07 0.00 0.00 59.70 56.89 1xwn h MET 144 Cb 1.91 -0.04 0.21 0.00 -1.87 0.00 0.00 31.60 31.81 1xwn h MET 144 CO 0.11 0.65 -0.01 0.14 1.07 0.00 0.00 176.91 178.87 1xwn s VAL 145 N -4.64 1.59 -0.17 -2.22 -7.23 -1.05 -4.99 120.40 101.69 1xwn s VAL 145 Ca -0.07 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 59.98 1xwn s VAL 145 Cb 0.14 -2.17 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 1xwn s VAL 145 CO 0.78 0.00 0.21 -0.70 -0.31 0.00 0.00 175.10 175.08 1xwn s GLU 146 N -4.91 4.15 0.56 4.82 2.12 -1.26 -4.91 118.70 119.27 1xwn s GLU 146 Ca 0.69 -0.06 0.03 0.00 0.36 0.00 0.00 54.97 55.98 1xwn s GLU 146 Cb -0.17 -3.40 0.05 0.00 0.26 0.00 0.00 34.13 30.87 1xwn s GLU 146 CO 0.60 0.32 0.79 0.95 -0.54 0.00 0.00 175.26 177.38 1xwn s THR 147 N 0.25 2.57 0.01 -1.70 -4.23 -1.26 -4.17 115.64 107.12 1xwn s THR 147 Ca 0.13 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.93 1xwn s THR 147 Cb -0.12 -2.84 -0.01 0.00 1.34 0.00 0.00 72.50 70.86 1xwn s THR 147 CO 0.01 0.00 -0.08 0.20 -0.54 0.00 0.00 174.62 174.21 1xwn s ASN 148 N -4.49 0.95 0.00 3.99 -0.87 -0.08 -4.85 114.94 109.59 1xwn s ASN 148 Ca 0.59 -0.25 0.00 0.00 -1.57 0.00 0.00 52.86 51.63 1xwn s ASN 148 Cb -0.09 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.07 1xwn s ASN 148 CO 0.39 0.03 0.00 -0.24 -2.57 0.00 0.00 177.10 174.70 1xwn n SER 149 N 2.49 0.00 0.00 -1.22 2.88 -1.26 -1.42 113.62 115.09 1xwn n SER 149 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 1xwn n SER 149 Cb 0.57 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1xwn n GLN 150 N 0.00 0.00 -1.65 -1.46 10.64 -1.26 -4.99 117.38 118.66 1xwn n GLN 150 Ca 0.00 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.15 1xwn n GLN 150 Cb 0.00 0.00 0.03 0.00 -0.86 0.00 0.00 30.24 29.41 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.40 -1.83 0.00 0.00 177.06 174.83 1xwn n ASP 151 N 0.00 -0.68 -4.55 2.61 5.68 -1.21 -4.83 116.55 113.56 1xwn n ASP 151 Ca 0.00 -1.44 -0.40 0.00 -0.50 0.00 0.00 54.79 52.45 1xwn n ASP 151 Cb 0.00 0.29 -0.10 0.00 -1.14 0.00 0.00 41.12 40.17 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 1xwn s ARG 152 N 0.04 3.60 -0.25 0.11 3.52 -0.51 -2.67 118.95 122.80 1xwn s ARG 152 Ca 0.03 -0.47 -0.28 0.00 -0.13 0.00 0.00 55.73 54.87 1xwn s ARG 152 Cb 0.15 -3.78 -0.04 0.00 -1.56 0.00 0.00 34.95 29.73 1xwn s ARG 152 CO -0.04 -0.44 1.94 -1.25 -0.81 0.00 0.00 175.30 174.69 1xwn s PRO 153 N 1.88 3.37 0.36 5.12 0.04 -1.26 -0.90 135.00 143.60 1xwn s PRO 153 Ca 0.09 1.76 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1xwn s PRO 153 Cb -0.17 -4.24 0.68 0.00 0.04 0.00 0.00 34.50 30.81 1xwn s PRO 153 CO 0.11 -1.81 1.91 0.28 0.04 0.00 0.00 177.00 177.52 1xwn h VAL 154 N 6.77 1.18 -1.72 -0.36 2.07 -1.93 -3.44 116.25 118.83 1xwn h VAL 154 Ca -0.37 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1xwn h VAL 154 Cb 1.20 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.92 1xwn h VAL 154 CO 0.99 0.24 0.00 -0.67 0.02 0.00 0.00 177.57 178.16 1xwn n ASP 155 N -4.30 -0.17 -4.06 0.57 -0.08 -1.26 -5.04 116.55 102.20 1xwn n ASP 155 Ca 0.01 -0.74 -0.33 0.00 -1.51 0.00 0.00 54.79 52.22 1xwn n ASP 155 Cb 0.23 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.55 1xwn n ASP 155 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1xwn s ASP 156 N -1.10 4.98 -0.23 1.67 1.11 -1.26 -5.07 116.67 116.77 1xwn s ASP 156 Ca 0.00 -2.10 0.01 0.00 0.18 0.00 0.00 52.55 50.64 1xwn s ASP 156 Cb 0.00 -1.71 0.04 0.00 1.07 0.00 0.00 42.92 42.31 1xwn s ASP 156 CO 0.00 -0.45 -0.13 0.54 1.18 0.00 0.00 175.17 176.31 1xwn s VAL 157 N 1.00 2.32 0.34 -1.27 0.11 -1.26 -4.12 120.40 117.52 1xwn s VAL 157 Ca 0.10 -1.21 -0.11 0.00 -2.93 0.00 0.00 61.98 57.83 1xwn s VAL 157 Cb -0.21 -2.17 0.02 0.00 -1.53 0.00 0.00 36.38 32.50 1xwn s VAL 157 CO -0.06 0.25 0.62 -1.59 -3.33 0.00 0.00 175.10 170.98 1xwn s LYS 158 N 1.23 1.96 -0.15 1.54 -2.85 -1.26 -3.29 119.74 116.92 1xwn s LYS 158 Ca -0.01 -1.47 -0.03 0.00 -1.00 0.00 0.00 55.97 53.46 1xwn s LYS 158 Cb -0.16 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.12 1xwn s LYS 158 CO -0.08 -0.86 -0.06 0.42 0.10 0.00 0.00 175.35 174.86 1xwn s ILE 159 N -3.04 3.66 -0.11 3.79 1.01 -0.37 0.50 121.20 126.65 1xwn s ILE 159 Ca 0.21 -0.44 0.05 0.00 0.00 0.00 0.00 60.65 60.47 1xwn s ILE 159 Cb -0.03 -2.59 -0.10 0.00 0.01 0.00 0.00 42.46 39.75 1xwn s ILE 159 CO 0.14 0.50 -0.03 2.30 0.00 0.00 0.00 174.94 177.85 1xwn n ILE 160 N 3.52 0.69 -3.79 2.92 -5.35 -1.14 -1.41 119.36 114.80 1xwn n ILE 160 Ca -0.18 -0.35 -0.13 0.00 -0.27 0.00 0.00 62.75 61.83 1xwn n ILE 160 Cb 0.53 -0.83 -0.12 0.00 -1.74 0.00 0.00 39.64 37.48 1xwn n ILE 160 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 1xwn s LYS 161 N -2.24 0.30 -0.29 6.28 2.20 -0.21 -4.66 119.74 121.12 1xwn s LYS 161 Ca -0.10 0.34 -0.07 0.00 -0.36 0.00 0.00 55.97 55.78 1xwn s LYS 161 Cb 0.04 0.15 0.14 0.00 -1.51 0.00 0.00 37.83 36.64 1xwn s LYS 161 CO 0.35 -0.04 0.62 0.00 -0.36 0.00 0.00 175.35 175.92 1xwn s ALA 162 N 0.12 -2.04 -0.02 3.13 0.00 -1.26 0.27 121.76 121.95 1xwn s ALA 162 Ca -0.00 2.14 -0.10 0.00 0.00 0.00 0.00 51.96 54.00 1xwn s ALA 162 Cb -0.02 -1.86 0.01 0.00 0.00 0.00 0.00 23.12 21.26 1xwn s ALA 162 CO 0.00 -1.03 0.22 1.52 0.00 0.00 0.00 175.76 176.47 1xwn s TYR 163 N 2.87 -0.10 0.36 0.00 1.13 -1.14 -4.44 117.35 116.03 1xwn s TYR 163 Ca 0.02 0.17 -0.24 0.00 -1.41 0.00 0.00 57.07 55.60 1xwn s TYR 163 Cb -0.13 0.03 -0.10 0.00 -1.10 0.00 0.00 41.96 40.66 1xwn s TYR 163 CO -0.19 -0.29 0.95 -1.25 -2.51 0.00 0.00 175.55 172.26 1xwn s PRO 164 N -1.06 4.44 0.62 -3.49 0.04 -1.26 -2.11 135.00 132.18 1xwn s PRO 164 Ca -0.11 1.26 0.02 0.00 0.04 0.00 0.00 61.00 62.21 1xwn s PRO 164 Cb -0.06 -2.57 0.08 0.00 0.04 0.00 0.00 34.50 31.99 1xwn s PRO 164 CO 0.02 0.15 0.86 0.45 0.04 0.00 0.00 177.00 178.52 1xwn s SER 165 N -1.82 4.89 0.00 6.66 0.15 -1.17 -4.93 113.70 117.48 1xwn s SER 165 Ca 0.55 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.91 1xwn s SER 165 Cb -0.15 -0.36 0.00 0.00 -1.71 0.00 0.00 66.02 63.79 1xwn s SER 165 CO 0.20 -1.44 0.00 0.61 1.20 0.00 0.00 173.24 173.81