#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 -3.16 0.34 3.04 0.00 -1.26 -5.01 121.76 115.71 1xwn s ALA 2 Ca 0.00 0.07 0.23 0.00 0.00 0.00 0.00 51.96 52.26 1xwn s ALA 2 Cb 0.00 -2.84 1.15 0.00 0.00 0.00 0.00 23.12 21.43 1xwn s ALA 2 CO 0.00 -2.36 1.95 0.00 0.00 0.00 0.00 175.76 175.35 1xwn h ALA 3 N 4.78 1.24 -3.08 0.00 0.00 -2.13 -3.34 119.26 116.72 1xwn h ALA 3 Ca 0.03 -0.19 -0.66 0.00 0.00 0.00 0.00 54.91 54.10 1xwn h ALA 3 Cb 1.14 -0.03 -0.39 0.00 0.00 0.00 0.00 17.79 18.51 1xwn h ALA 3 CO -0.04 0.26 -0.43 0.42 0.00 0.00 0.00 179.25 179.46 1xwn s ILE 4 N -4.06 3.35 0.62 0.00 -1.09 -1.26 -5.10 121.20 113.66 1xwn s ILE 4 Ca -0.02 -3.85 -0.18 0.00 -2.23 0.00 0.00 60.65 54.37 1xwn s ILE 4 Cb 0.13 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1xwn s ILE 4 CO 0.63 -0.98 1.12 -2.65 -1.23 0.00 0.00 174.94 171.83 1xwn n PRO 5 N 2.45 1.01 -2.42 2.79 -0.02 -1.26 -4.97 135.00 132.59 1xwn n PRO 5 Ca 0.16 0.39 -0.38 0.00 -2.02 0.00 0.00 63.50 61.65 1xwn n PRO 5 Cb 0.35 -2.34 -0.03 0.00 -0.02 0.00 0.00 33.50 31.47 1xwn n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xwn s PRO 6 N -3.02 4.26 -0.06 0.52 0.04 -1.26 -5.06 135.00 130.41 1xwn s PRO 6 Ca 0.79 1.74 -0.03 0.00 0.04 0.00 0.00 61.00 63.53 1xwn s PRO 6 Cb -0.40 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.38 1xwn s PRO 6 CO 0.44 -0.11 0.15 0.34 0.04 0.00 0.00 177.00 177.86 1xwn s ASP 7 N -1.18 -0.12 -0.23 6.66 -1.08 -1.26 -5.02 116.67 114.44 1xwn s ASP 7 Ca 0.54 0.30 -0.03 0.00 -0.52 0.00 0.00 52.55 52.83 1xwn s ASP 7 Cb -0.29 0.21 0.01 0.00 -1.46 0.00 0.00 42.92 41.39 1xwn s ASP 7 CO 0.36 -0.13 0.06 -0.24 0.52 0.00 0.00 175.17 175.74 1xwn n SER 8 N 3.97 -5.24 -3.51 -0.34 2.88 -1.26 -5.02 113.62 105.11 1xwn n SER 8 Ca -0.24 1.19 -0.30 0.00 -1.33 0.00 0.00 58.87 58.19 1xwn n SER 8 Cb 0.53 -4.64 0.26 0.00 -0.75 0.00 0.00 64.21 59.61 1xwn n SER 8 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 1xwn n TRP 9 N 0.83 -3.89 -3.63 0.66 2.14 -1.26 -5.05 117.44 107.24 1xwn n TRP 9 Ca -0.10 -0.97 -0.29 0.00 2.07 0.00 0.00 57.50 58.21 1xwn n TRP 9 Cb 0.16 -1.16 -0.12 0.00 -0.81 0.00 0.00 31.31 29.37 1xwn n TRP 9 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1xwn s GLN 10 N -5.44 1.12 0.24 -2.67 2.00 -1.26 -5.01 119.66 108.64 1xwn s GLN 10 Ca 0.71 -1.90 -0.05 0.00 -2.00 0.00 0.00 55.36 52.12 1xwn s GLN 10 Cb -0.08 -2.05 0.40 0.00 0.80 0.00 0.00 33.01 32.08 1xwn s GLN 10 CO 0.55 -1.20 1.76 -1.35 -0.50 0.00 0.00 175.29 174.55 1xwn h PRO 11 N 6.66 0.51 -2.96 1.67 0.11 -1.93 -3.20 132.00 132.86 1xwn h PRO 11 Ca 0.04 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 65.90 1xwn h PRO 11 Cb 0.93 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1xwn h PRO 11 CO 0.43 0.34 1.20 -2.30 -0.21 0.00 0.00 178.00 177.45 1xwn n PRO 12 N -4.93 1.44 -4.20 1.05 -0.02 -1.26 -4.56 135.00 122.53 1xwn n PRO 12 Ca 0.13 -0.92 -0.15 0.00 -2.02 0.00 0.00 63.50 60.53 1xwn n PRO 12 Cb 0.35 -2.07 -0.08 0.00 -0.02 0.00 0.00 33.50 31.68 1xwn n PRO 12 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1xwn s ASN 13 N 2.99 0.90 -0.01 2.55 -0.87 -1.21 -0.58 114.94 118.70 1xwn s ASN 13 Ca 0.35 -1.53 -0.07 0.00 -1.57 0.00 0.00 52.86 50.04 1xwn s ASN 13 Cb 0.13 0.52 0.01 0.00 -0.02 0.00 0.00 41.25 41.88 1xwn s ASN 13 CO -0.01 -1.04 0.15 0.68 -2.57 0.00 0.00 177.10 174.31 1xwn s VAL 14 N -3.66 0.06 -0.26 1.60 -7.23 -0.17 -1.60 120.40 109.15 1xwn s VAL 14 Ca 0.37 -0.53 -0.18 0.00 -1.81 0.00 0.00 61.98 59.83 1xwn s VAL 14 Cb 0.03 -0.39 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 1xwn s VAL 14 CO 0.20 -0.29 0.54 -0.31 -0.31 0.00 0.00 175.10 174.92 1xwn s TYR 15 N -1.05 3.28 -0.37 2.82 2.02 0.14 -2.30 117.35 121.88 1xwn s TYR 15 Ca -0.11 0.68 -0.02 0.00 -0.37 0.00 0.00 57.07 57.24 1xwn s TYR 15 Cb -0.06 -2.74 0.09 0.00 -0.40 0.00 0.00 41.96 38.85 1xwn s TYR 15 CO 0.01 -0.28 0.14 -0.51 -1.57 0.00 0.00 175.55 173.34 1xwn s LEU 16 N 2.29 4.84 -0.56 -1.29 1.43 -0.19 -1.13 118.68 124.07 1xwn s LEU 16 Ca 0.22 -1.82 -0.20 0.00 -1.03 0.00 0.00 54.13 51.30 1xwn s LEU 16 Cb -0.16 -1.78 0.07 0.00 0.03 0.00 0.00 46.19 44.35 1xwn s LEU 16 CO 0.09 -0.45 0.72 -1.61 0.23 0.00 0.00 176.35 175.33 1xwn s GLU 17 N 1.15 3.12 0.24 1.70 2.02 -0.98 -2.13 118.70 123.82 1xwn s GLU 17 Ca 0.05 -0.95 0.09 0.00 0.02 0.00 0.00 54.97 54.18 1xwn s GLU 17 Cb -0.22 -4.16 -0.04 0.00 0.10 0.00 0.00 34.13 29.81 1xwn s GLU 17 CO -0.04 -1.42 -0.04 0.95 0.02 0.00 0.00 175.26 174.74 1xwn s THR 18 N 2.95 3.36 0.35 3.63 -4.23 -0.18 -1.15 115.64 120.37 1xwn s THR 18 Ca 0.16 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 58.86 1xwn s THR 18 Cb -0.20 -2.75 0.25 0.00 1.34 0.00 0.00 72.50 71.14 1xwn s THR 18 CO 0.11 -0.29 2.00 -1.28 -0.54 0.00 0.00 174.62 174.62 1xwn h SER 19 N 2.23 0.68 0.23 3.99 0.87 -0.18 -1.97 113.55 119.39 1xwn h SER 19 Ca -0.45 -0.03 -0.10 0.00 -1.23 0.00 0.00 61.79 59.98 1xwn h SER 19 Cb 1.24 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 63.01 1xwn h SER 19 CO 0.59 0.52 -0.40 -0.03 -0.53 0.00 0.00 176.83 176.97 1xwn h MET 20 N 0.79 0.23 0.00 2.24 1.85 -1.78 -3.47 114.93 114.80 1xwn h MET 20 Ca 0.21 -0.11 0.00 0.00 -0.61 0.00 0.00 59.70 59.19 1xwn h MET 20 Cb -0.04 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 31.98 1xwn h MET 20 CO -0.04 0.60 0.00 0.41 -0.40 0.00 0.00 176.91 177.48 1xwn n GLY 21 N -0.22 -0.82 3.13 1.39 0.00 -0.74 -5.10 105.19 102.83 1xwn n GLY 21 Ca -0.01 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.79 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 1.62 0.07 -0.61 2.07 -1.26 -1.01 121.20 119.08 1xwn s ILE 22 Ca 0.00 -0.76 0.01 0.00 -1.41 0.00 0.00 60.65 58.49 1xwn s ILE 22 Cb 0.00 -1.43 -0.04 0.00 0.13 0.00 0.00 42.46 41.12 1xwn s ILE 22 CO 0.00 0.46 -0.06 0.27 -1.91 0.00 0.00 174.94 173.70 1xwn s ILE 23 N 0.50 0.52 -0.19 2.00 -4.36 -0.90 -4.78 121.20 113.99 1xwn s ILE 23 Ca -0.17 -1.63 0.01 0.00 -0.26 0.00 0.00 60.65 58.60 1xwn s ILE 23 Cb -0.17 -1.29 0.03 0.00 1.25 0.00 0.00 42.46 42.29 1xwn s ILE 23 CO 0.06 -0.75 -0.13 -0.69 0.24 0.00 0.00 174.94 173.67 1xwn s VAL 24 N -2.98 1.73 0.38 8.37 1.01 0.14 -1.02 120.40 128.04 1xwn s VAL 24 Ca 0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1xwn s VAL 24 Cb 0.01 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1xwn s VAL 24 CO -0.04 0.29 0.63 -0.76 0.00 0.00 0.00 175.10 175.22 1xwn s LEU 25 N 1.38 3.90 -0.38 3.92 2.01 -0.97 -3.43 118.68 125.11 1xwn s LEU 25 Ca 0.01 0.67 -0.05 0.00 0.01 0.00 0.00 54.13 54.76 1xwn s LEU 25 Cb -0.15 -3.55 0.07 0.00 0.01 0.00 0.00 46.19 42.57 1xwn s LEU 25 CO -0.09 -0.37 0.16 -0.70 1.01 0.00 0.00 176.35 176.36 1xwn s GLU 26 N -4.29 2.41 -0.10 1.70 2.12 0.25 -0.99 118.70 119.79 1xwn s GLU 26 Ca 0.43 -1.46 -0.18 0.00 0.36 0.00 0.00 54.97 54.12 1xwn s GLU 26 Cb -0.10 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1xwn s GLU 26 CO 0.37 -0.86 0.47 -0.51 -0.54 0.00 0.00 175.26 174.19 1xwn s LEU 27 N 1.31 4.30 -0.38 2.70 2.01 0.25 -1.85 118.68 127.02 1xwn s LEU 27 Ca 0.02 0.83 -0.27 0.00 0.01 0.00 0.00 54.13 54.72 1xwn s LEU 27 Cb -0.22 -2.68 0.02 0.00 0.01 0.00 0.00 46.19 43.32 1xwn s LEU 27 CO -0.00 0.04 1.00 -0.31 1.01 0.00 0.00 176.35 178.09 1xwn s TYR 28 N 0.42 3.04 -1.47 0.29 2.02 -1.23 -4.53 117.35 115.91 1xwn s TYR 28 Ca 0.26 0.85 0.02 0.00 -0.37 0.00 0.00 57.07 57.82 1xwn s TYR 28 Cb -0.15 -3.81 0.07 0.00 -0.40 0.00 0.00 41.96 37.67 1xwn s TYR 28 CO 0.11 -0.90 0.84 -2.67 -1.57 0.00 0.00 175.55 171.35 1xwn n TRP 29 N 7.00 0.15 -0.01 2.71 4.27 -1.26 -1.92 117.44 128.38 1xwn n TRP 29 Ca 0.09 -0.06 -0.01 0.00 -3.89 0.00 0.00 57.50 53.63 1xwn n TRP 29 Cb 0.48 -0.07 -0.00 0.00 -1.36 0.00 0.00 31.31 30.36 1xwn n TRP 29 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1xwn n LYS 30 N -0.11 0.08 -0.00 -2.67 4.01 -1.26 -4.54 118.16 113.67 1xwn n LYS 30 Ca 0.03 0.04 0.10 0.00 -0.51 0.00 0.00 58.31 57.96 1xwn n LYS 30 Cb 0.20 -0.65 -0.13 0.00 -0.51 0.00 0.00 35.03 33.94 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1xwn n HIS 31 N -2.80 0.00 1.04 2.13 8.25 -1.26 -4.41 115.22 118.17 1xwn n HIS 31 Ca -0.02 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1xwn n HIS 31 Cb 0.08 -0.19 0.21 0.00 1.12 0.00 0.00 29.99 31.21 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 -1.77 2.48 -0.33 -1.41 0.00 -0.81 -4.57 120.51 114.10 1xwn n ALA 32 Ca 0.01 -0.67 0.24 0.00 0.00 0.00 0.00 53.44 53.03 1xwn n ALA 32 Cb 0.41 -0.90 0.48 0.00 0.00 0.00 0.00 19.45 19.44 1xwn n ALA 32 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xwn h PRO 33 N 4.13 0.23 0.35 0.00 0.11 -1.75 0.84 132.00 135.92 1xwn h PRO 33 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 1xwn h PRO 33 Cb 0.88 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.94 1xwn h PRO 33 CO 0.00 0.15 -0.17 0.87 -0.21 0.00 0.00 178.00 178.65 1xwn h LYS 34 N 0.24 -0.45 -0.44 1.05 6.56 -1.92 -2.30 116.57 119.31 1xwn h LYS 34 Ca 0.74 0.03 -0.05 0.00 -1.06 0.00 0.00 60.65 60.31 1xwn h LYS 34 Cb 1.73 0.10 -0.02 0.00 -0.57 0.00 0.00 32.23 33.47 1xwn h LYS 34 CO -0.65 -0.16 0.05 1.15 -2.06 0.00 0.00 179.45 177.77 1xwn h THR 35 N -0.73 1.22 -0.01 -0.16 2.02 -1.36 -2.62 112.91 111.27 1xwn h THR 35 Ca -0.05 -0.83 0.02 0.00 0.77 0.00 0.00 66.41 66.32 1xwn h THR 35 Cb 0.50 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1xwn h THR 35 CO 0.08 0.30 -0.11 0.00 0.37 0.00 0.00 175.52 176.15 1xwn h LYS 37 N -0.19 1.26 -0.33 0.00 3.64 -1.27 -2.51 116.57 117.16 1xwn h LYS 37 Ca 0.04 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xwn h LYS 37 Cb 0.25 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1xwn h LYS 37 CO -0.12 0.83 0.17 -0.97 -2.27 0.00 0.00 179.45 177.09 1xwn h ASN 38 N 1.29 0.25 -0.45 4.20 -0.73 -1.03 0.34 115.58 119.46 1xwn h ASN 38 Ca 0.36 0.01 0.06 0.00 1.87 0.00 0.00 56.30 58.60 1xwn h ASN 38 Cb -0.13 -0.04 -0.05 0.00 0.27 0.00 0.00 38.32 38.37 1xwn h ASN 38 CO -0.08 0.19 0.16 0.15 -0.37 0.00 0.00 177.43 177.48 1xwn h PHE 39 N 0.35 0.29 -0.19 0.67 3.04 -0.75 0.16 116.94 120.52 1xwn h PHE 39 Ca 0.14 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.05 1xwn h PHE 39 Cb 0.04 -0.06 -0.00 0.00 2.56 0.00 0.00 35.95 38.49 1xwn h PHE 39 CO -0.10 0.11 -0.12 0.00 -2.02 0.00 0.00 178.31 176.18 1xwn h ALA 40 N 1.29 0.28 -0.40 2.41 0.00 -1.10 -2.64 119.26 119.09 1xwn h ALA 40 Ca 0.21 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1xwn h ALA 40 Cb 0.20 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1xwn h ALA 40 CO -0.21 0.13 0.26 1.49 0.00 0.00 0.00 179.25 180.93 1xwn h GLU 41 N 0.11 0.54 -0.61 0.00 4.81 -0.03 0.30 114.58 119.70 1xwn h GLU 41 Ca 0.04 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 59.25 1xwn h GLU 41 Cb 0.63 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.86 1xwn h GLU 41 CO 0.03 0.36 0.39 -0.07 -0.73 0.00 0.00 179.01 179.00 1xwn h LEU 42 N 0.55 0.66 -0.60 1.64 4.07 -0.71 0.37 115.31 121.28 1xwn h LEU 42 Ca 0.15 -0.01 -0.15 0.00 0.08 0.00 0.00 57.88 57.95 1xwn h LEU 42 Cb -0.05 -0.16 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 1xwn h LEU 42 CO -0.03 0.47 -0.50 0.00 -1.08 0.00 0.00 178.44 177.30 1xwn h ALA 43 N 1.24 0.78 -0.09 1.53 0.00 -1.16 -0.72 119.26 120.84 1xwn h ALA 43 Ca 0.23 -0.49 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1xwn h ALA 43 Cb -0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1xwn h ALA 43 CO -0.07 0.67 -0.15 -0.09 0.00 0.00 0.00 179.25 179.61 1xwn h ARG 44 N 0.41 0.26 -0.34 0.00 2.43 0.07 -3.17 114.38 114.03 1xwn h ARG 44 Ca 0.02 -0.16 0.07 0.00 -0.81 0.00 0.00 59.98 59.10 1xwn h ARG 44 Cb 1.02 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1xwn h ARG 44 CO 0.09 0.74 0.24 0.00 -1.51 0.00 0.00 179.97 179.53 1xwn h ARG 45 N -0.20 0.13 0.00 0.20 3.08 -0.32 -3.46 114.38 113.82 1xwn h ARG 45 Ca 0.01 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xwn h ARG 45 Cb 0.72 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1xwn h ARG 45 CO 0.03 0.08 0.00 0.41 -1.07 0.00 0.00 179.97 179.43 1xwn n GLY 46 N -1.57 1.70 0.08 0.04 0.00 -1.12 -5.04 105.19 99.28 1xwn n GLY 46 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.97 1xwn n GLY 46 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1xwn n TYR 47 N -0.32 0.00 0.02 1.61 4.01 -0.29 -4.59 117.16 117.59 1xwn n TYR 47 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1xwn n TYR 47 Cb 0.00 -0.69 -0.01 0.00 -0.31 0.00 0.00 39.34 38.33 1xwn n TYR 47 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 1xwn h TYR 48 N 0.00 0.78 -4.13 -0.72 3.20 -1.71 -3.44 116.97 110.95 1xwn h TYR 48 Ca -0.39 -0.34 -0.53 0.00 3.14 0.00 0.00 58.73 60.60 1xwn h TYR 48 Cb 1.74 -0.12 0.13 0.00 1.54 0.00 0.00 36.73 40.03 1xwn h TYR 48 CO 0.01 1.13 0.44 0.54 -1.64 0.00 0.00 178.16 178.65 1xwn s ASN 49 N -7.03 4.75 -1.10 -2.11 2.20 -1.26 -2.88 114.94 107.51 1xwn s ASN 49 Ca -0.08 2.38 0.00 0.00 -0.94 0.00 0.00 52.86 54.23 1xwn s ASN 49 Cb 0.10 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.75 1xwn s ASN 49 CO 0.87 -1.89 0.00 0.61 -2.94 0.00 0.00 177.10 173.75 1xwn n GLY 50 N 0.45 1.15 3.76 0.45 0.00 -1.22 -5.01 105.19 104.77 1xwn n GLY 50 Ca 0.14 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.56 1xwn n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xwn s THR 51 N -2.28 3.74 0.17 2.61 2.01 -1.14 -4.96 115.64 115.78 1xwn s THR 51 Ca 0.00 -1.61 -0.08 0.00 0.31 0.00 0.00 61.69 60.31 1xwn s THR 51 Cb 0.00 -3.12 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 1xwn s THR 51 CO 0.00 -0.30 0.26 -1.59 -0.69 0.00 0.00 174.62 172.30 1xwn s LYS 52 N -3.81 1.15 -0.34 4.92 -2.85 -1.26 0.71 119.74 118.25 1xwn s LYS 52 Ca 0.34 -1.23 -0.29 0.00 -1.00 0.00 0.00 55.97 53.80 1xwn s LYS 52 Cb -0.06 0.36 -0.01 0.00 -2.06 0.00 0.00 37.83 36.06 1xwn s LYS 52 CO 0.23 -0.41 1.64 -0.06 0.10 0.00 0.00 175.35 176.84 1xwn s PHE 53 N -3.99 2.06 -0.03 1.78 0.08 -1.22 -3.91 117.98 112.75 1xwn s PHE 53 Ca 0.19 0.63 -0.22 0.00 0.12 0.00 0.00 56.93 57.65 1xwn s PHE 53 Cb 0.04 -4.16 -0.26 0.00 -0.57 0.00 0.00 43.02 38.07 1xwn s PHE 53 CO 0.01 -2.62 1.01 1.12 -0.10 0.00 0.00 175.22 174.64 1xwn h HIS 54 N 11.75 0.49 -3.32 0.36 2.07 -1.93 -3.45 115.15 121.12 1xwn h HIS 54 Ca -0.32 -0.30 -0.65 0.00 -2.85 0.00 0.00 60.37 56.26 1xwn h HIS 54 Cb 1.14 -0.05 -0.25 0.00 2.57 0.00 0.00 27.41 30.83 1xwn h HIS 54 CO 0.95 1.15 -0.73 0.50 -3.07 0.00 0.00 177.93 176.73 1xwn s ARG 55 N -2.93 3.49 -0.31 5.12 3.52 -1.25 -4.82 118.95 121.78 1xwn s ARG 55 Ca -0.14 -0.62 -0.02 0.00 -0.13 0.00 0.00 55.73 54.82 1xwn s ARG 55 Cb 0.02 -2.74 0.12 0.00 -1.56 0.00 0.00 34.95 30.79 1xwn s ARG 55 CO 0.80 0.23 0.22 0.42 -0.81 0.00 0.00 175.30 176.16 1xwn s ILE 56 N 0.34 -0.17 -0.44 4.11 1.01 -1.26 -2.26 121.20 122.52 1xwn s ILE 56 Ca -0.08 -0.85 -0.22 0.00 0.00 0.00 0.00 60.65 59.50 1xwn s ILE 56 Cb -0.15 -0.97 0.02 0.00 0.01 0.00 0.00 42.46 41.37 1xwn s ILE 56 CO 0.05 -0.67 0.74 -0.63 0.00 0.00 0.00 174.94 174.42 1xwn s ILE 57 N 1.96 4.71 0.39 2.92 1.09 -0.78 -4.56 121.20 126.93 1xwn s ILE 57 Ca 0.11 0.33 -0.27 0.00 -1.10 0.00 0.00 60.65 59.72 1xwn s ILE 57 Cb -0.16 -4.28 -0.10 0.00 -1.06 0.00 0.00 42.46 36.86 1xwn s ILE 57 CO -0.26 -0.67 1.41 -0.75 -0.10 0.00 0.00 174.94 174.56 1xwn s LYS 58 N 3.13 4.03 -1.17 2.79 2.20 -1.26 -2.79 119.74 126.68 1xwn s LYS 58 Ca 0.27 2.41 -0.04 0.00 -0.36 0.00 0.00 55.97 58.26 1xwn s LYS 58 Cb -0.13 -2.88 0.00 0.00 -1.51 0.00 0.00 37.83 33.32 1xwn s LYS 58 CO 0.21 -0.53 0.99 -0.25 -0.36 0.00 0.00 175.35 175.42 1xwn n ASP 59 N 0.32 -3.75 0.00 1.43 9.92 -1.21 -4.82 116.55 118.44 1xwn n ASP 59 Ca 0.02 -0.54 0.00 0.00 -0.53 0.00 0.00 54.79 53.74 1xwn n ASP 59 Cb 0.41 -4.72 0.00 0.00 -0.64 0.00 0.00 41.12 36.17 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1xwn n PHE 60 N -4.28 0.00 -3.83 1.24 7.35 -1.19 -4.99 117.46 111.76 1xwn n PHE 60 Ca -0.15 0.00 -0.08 0.00 -0.76 0.00 0.00 57.45 56.46 1xwn n PHE 60 Cb 0.61 0.00 0.01 0.00 0.35 0.00 0.00 39.48 40.45 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 0.00 2.00 0.05 -4.13 0.23 -1.12 -2.25 119.30 114.08 1xwn s MET 61 Ca 0.00 -1.22 -0.06 0.00 -1.03 0.00 0.00 55.69 53.38 1xwn s MET 61 Cb 0.00 0.60 -0.01 0.00 -1.53 0.00 0.00 34.83 33.89 1xwn s MET 61 CO 0.00 -0.93 0.10 0.96 -2.03 0.00 0.00 175.02 173.12 1xwn s ILE 62 N -2.94 0.14 0.01 3.16 -5.25 -0.97 -1.86 121.20 113.49 1xwn s ILE 62 Ca 0.14 -1.18 0.03 0.00 -0.99 0.00 0.00 60.65 58.65 1xwn s ILE 62 Cb -0.05 -1.05 -0.01 0.00 2.95 0.00 0.00 42.46 44.30 1xwn s ILE 62 CO 0.09 -0.65 -0.10 0.00 -1.79 0.00 0.00 174.94 172.49 1xwn s GLN 63 N -2.98 0.75 0.19 0.37 -2.07 -0.96 0.26 119.66 115.23 1xwn s GLN 63 Ca -0.02 -0.47 0.06 0.00 -1.82 0.00 0.00 55.36 53.10 1xwn s GLN 63 Cb 0.01 -0.71 -0.04 0.00 -1.09 0.00 0.00 33.01 31.18 1xwn s GLN 63 CO -0.06 0.19 0.15 0.20 -1.32 0.00 0.00 175.29 174.44 1xwn s GLY 64 N -0.59 1.63 0.81 2.60 0.00 -0.49 -3.76 107.32 107.51 1xwn s GLY 64 Ca 0.01 -1.28 -0.06 0.00 0.00 0.00 0.00 44.72 43.39 1xwn s GLY 64 CO 0.00 -1.30 1.11 0.61 0.00 0.00 0.00 173.10 173.52 1xwn n GLY 65 N -0.58 -0.12 2.11 0.20 0.00 -1.25 -3.49 105.19 102.05 1xwn n GLY 65 Ca -0.08 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1xwn n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xwn n ASP 66 N -3.24 -1.95 -3.00 1.61 8.00 -1.25 -4.92 116.55 111.79 1xwn n ASP 66 Ca 0.16 0.47 0.00 0.00 0.71 0.00 0.00 54.79 56.14 1xwn n ASP 66 Cb 0.58 2.01 0.00 0.00 -0.02 0.00 0.00 41.12 43.69 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1xwn n PRO 67 N -3.05 0.76 -0.24 -0.24 -0.04 -1.26 -4.31 135.00 126.63 1xwn n PRO 67 Ca 0.00 0.00 0.20 0.00 -0.04 0.00 0.00 63.50 63.66 1xwn n PRO 67 Cb 0.00 0.00 0.53 0.00 -0.04 0.00 0.00 33.50 33.99 1xwn n PRO 67 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xwn h THR 68 N -0.35 0.67 -4.50 0.52 1.03 -1.93 -3.46 112.91 104.88 1xwn h THR 68 Ca 0.00 -0.13 -0.24 0.00 -0.01 0.00 0.00 66.41 66.03 1xwn h THR 68 Cb 0.00 0.26 0.11 0.00 -1.07 0.00 0.00 68.15 67.46 1xwn h THR 68 CO 0.00 0.07 -0.52 0.61 -0.01 0.00 0.00 175.52 175.67 1xwn n GLY 69 N -1.53 -0.11 2.69 2.99 0.00 -1.26 -4.97 105.19 103.00 1xwn n GLY 69 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1xwn n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xwn n THR 70 N -3.45 1.49 -1.90 2.61 -2.24 -1.26 -4.95 114.28 104.58 1xwn n THR 70 Ca -0.15 -3.17 -0.20 0.00 -2.27 0.00 0.00 64.05 58.26 1xwn n THR 70 Cb 0.60 0.83 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 71 N -0.59 0.96 2.68 3.38 0.00 -1.26 -4.86 105.19 105.50 1xwn n GLY 71 Ca 0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 46.02 46.06 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 -2.62 0.15 -2.41 1.61 0.63 -1.26 -5.17 116.66 107.59 1xwn n ARG 72 Ca -0.21 -0.86 -0.29 0.00 -0.92 0.00 0.00 57.85 55.56 1xwn n ARG 72 Cb 0.66 -0.08 -0.00 0.00 0.45 0.00 0.00 32.46 33.48 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xwn s GLY 73 N 0.61 1.65 0.97 5.14 0.00 -1.26 -4.85 107.32 109.59 1xwn s GLY 73 Ca 0.25 -0.28 -0.16 0.00 0.00 0.00 0.00 44.72 44.52 1xwn s GLY 73 CO -0.10 -0.07 1.33 -0.32 0.00 0.00 0.00 173.10 173.93 1xwn s GLY 74 N -3.92 1.79 0.02 0.20 0.00 -1.26 -5.02 107.32 99.12 1xwn s GLY 74 Ca 0.51 -1.22 -0.28 0.00 0.00 0.00 0.00 44.72 43.73 1xwn s GLY 74 CO 0.45 -0.44 0.90 0.00 0.00 0.00 0.00 173.10 174.01 1xwn s ALA 75 N -3.89 3.24 0.89 3.20 0.00 -1.26 -4.93 121.76 119.01 1xwn s ALA 75 Ca 0.75 0.44 -0.12 0.00 0.00 0.00 0.00 51.96 53.03 1xwn s ALA 75 Cb -0.04 -3.21 0.18 0.00 0.00 0.00 0.00 23.12 20.05 1xwn s ALA 75 CO 0.53 -0.12 1.23 -1.54 0.00 0.00 0.00 175.76 175.86 1xwn s SER 76 N 0.60 3.49 0.49 0.00 1.04 -1.07 -4.88 113.70 113.35 1xwn s SER 76 Ca 0.46 0.11 0.19 0.00 0.48 0.00 0.00 55.95 57.19 1xwn s SER 76 Cb -0.21 -0.25 1.23 0.00 0.10 0.00 0.00 66.02 66.89 1xwn s SER 76 CO 0.26 -2.48 2.01 0.16 0.98 0.00 0.00 173.24 174.18 1xwn h ILE 77 N -1.32 0.84 -0.81 -1.02 -0.00 -1.97 -0.79 117.51 112.44 1xwn h ILE 77 Ca -0.42 -0.05 -0.53 0.00 -0.00 0.00 0.00 64.86 63.85 1xwn h ILE 77 Cb 1.25 0.67 -0.23 0.00 -0.00 0.00 0.00 36.82 38.51 1xwn h ILE 77 CO 0.39 0.03 0.69 -1.22 -0.00 0.00 0.00 178.15 178.04 1xwn n TYR 78 N -4.44 2.51 -0.59 0.16 4.01 -1.26 -5.02 117.16 112.53 1xwn n TYR 78 Ca 0.08 -2.57 0.08 0.00 -0.16 0.00 0.00 57.90 55.33 1xwn n TYR 78 Cb 0.43 -1.25 -0.02 0.00 -0.31 0.00 0.00 39.34 38.19 1xwn n TYR 78 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xwn n GLY 79 N -0.36 -1.55 0.27 2.72 0.00 -0.30 -4.24 105.19 101.73 1xwn n GLY 79 Ca 0.49 -1.38 0.01 0.00 0.00 0.00 0.00 46.02 45.14 1xwn n GLY 79 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xwn h LYS 80 N -0.55 0.45 -2.39 1.61 -0.00 -1.90 -2.84 116.57 110.95 1xwn h LYS 80 Ca 0.01 -0.08 -0.08 0.00 -0.00 0.00 0.00 60.65 60.50 1xwn h LYS 80 Cb 0.54 -0.07 -0.21 0.00 -0.00 0.00 0.00 32.23 32.49 1xwn h LYS 80 CO 0.00 0.46 -0.01 1.14 -0.00 0.00 0.00 179.45 181.05 1xwn s GLN 81 N -5.02 0.82 0.43 0.07 -2.07 -1.26 -4.75 119.66 107.88 1xwn s GLN 81 Ca -0.07 0.35 0.03 0.00 -1.82 0.00 0.00 55.36 53.85 1xwn s GLN 81 Cb 0.16 0.39 -0.03 0.00 -1.09 0.00 0.00 33.01 32.44 1xwn s GLN 81 CO 0.75 -0.20 0.09 -0.59 -1.32 0.00 0.00 175.29 174.01 1xwn s PHE 82 N -0.67 1.84 0.26 9.60 -0.71 -1.26 -4.91 117.98 122.13 1xwn s PHE 82 Ca -0.08 -1.15 -0.29 0.00 -1.04 0.00 0.00 56.93 54.37 1xwn s PHE 82 Cb -0.03 -1.31 -0.09 0.00 -1.21 0.00 0.00 43.02 40.38 1xwn s PHE 82 CO 0.05 -0.11 0.99 -1.21 -1.34 0.00 0.00 175.22 173.60 1xwn s GLU 83 N -3.77 4.75 0.84 1.99 2.02 -1.26 -3.51 118.70 119.76 1xwn s GLU 83 Ca 0.20 1.57 -0.12 0.00 0.02 0.00 0.00 54.97 56.64 1xwn s GLU 83 Cb 0.03 -3.19 0.10 0.00 0.10 0.00 0.00 34.13 31.17 1xwn s GLU 83 CO 0.12 0.39 1.19 0.34 0.02 0.00 0.00 175.26 177.32 1xwn s ASP 84 N -1.14 3.42 -0.28 -0.19 -1.08 -1.26 -4.96 116.67 111.17 1xwn s ASP 84 Ca 0.43 2.31 0.15 0.00 -0.52 0.00 0.00 52.55 54.91 1xwn s ASP 84 Cb -0.27 -2.58 0.48 0.00 -1.46 0.00 0.00 42.92 39.09 1xwn s ASP 84 CO 0.34 -2.78 1.14 -0.62 0.52 0.00 0.00 175.17 173.77 1xwn n GLU 85 N -3.57 2.69 -2.53 4.34 4.71 -1.26 -5.09 120.64 119.93 1xwn n GLU 85 Ca 0.13 -3.86 -0.37 0.00 -0.01 0.00 0.00 57.16 53.06 1xwn n GLU 85 Cb 0.51 -1.95 -0.04 0.00 -1.01 0.00 0.00 31.44 28.96 1xwn n GLU 85 CO 0.00 0.00 0.00 -1.17 0.09 0.00 0.00 177.13 176.05 1xwn s LEU 86 N -3.68 4.13 -0.05 -4.62 0.20 -1.26 -4.94 118.68 108.47 1xwn s LEU 86 Ca 0.39 2.05 -0.29 0.00 0.69 0.00 0.00 54.13 56.98 1xwn s LEU 86 Cb 0.37 -4.18 0.10 0.00 -0.43 0.00 0.00 46.19 42.04 1xwn s LEU 86 CO -0.00 -0.51 0.82 -1.38 -0.29 0.00 0.00 176.35 174.98 1xwn s HIS 87 N -1.65 -0.48 0.00 5.38 -3.43 -1.26 -5.14 115.29 108.71 1xwn s HIS 87 Ca 0.58 0.66 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 1xwn s HIS 87 Cb -0.22 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.40 1xwn s HIS 87 CO 0.28 -0.54 0.00 -0.35 -2.00 0.00 0.00 174.74 172.13 1xwn n PRO 88 N 0.43 -0.11 -2.67 -0.38 -0.04 -1.26 -4.51 135.00 126.46 1xwn n PRO 88 Ca -0.14 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.15 1xwn n PRO 88 Cb 0.59 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.07 1xwn n PRO 88 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xwn n ASP 89 N -1.94 -5.04 -4.21 3.54 -0.08 -1.26 -5.01 116.55 102.55 1xwn n ASP 89 Ca 0.00 -0.15 -0.28 0.00 -1.51 0.00 0.00 54.79 52.85 1xwn n ASP 89 Cb 0.00 -3.97 -0.06 0.00 2.34 0.00 0.00 41.12 39.43 1xwn n ASP 89 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1xwn n LEU 90 N -2.91 0.00 -4.29 -2.67 4.77 -1.26 -5.17 117.00 105.47 1xwn n LEU 90 Ca -0.12 -2.80 -0.18 0.00 -0.03 0.00 0.00 56.01 52.87 1xwn n LEU 90 Cb 0.61 0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 42.02 1xwn n LEU 90 CO 0.32 -0.40 -0.45 -0.75 -1.33 0.00 0.00 177.39 174.78 1xwn s LYS 91 N -3.57 1.17 -0.35 3.23 2.20 -1.26 -5.07 119.74 116.09 1xwn s LYS 91 Ca 0.04 -1.41 0.14 0.00 -0.36 0.00 0.00 55.97 54.37 1xwn s LYS 91 Cb 0.00 -1.00 0.43 0.00 -1.51 0.00 0.00 37.83 35.75 1xwn s LYS 91 CO 0.02 0.18 1.19 0.34 -0.36 0.00 0.00 175.35 176.72 1xwn n PHE 92 N 0.09 -0.69 0.29 4.03 -0.00 -1.26 -4.94 117.46 114.97 1xwn n PHE 92 Ca -0.12 -2.27 0.17 0.00 -0.00 0.00 0.00 57.45 55.24 1xwn n PHE 92 Cb 0.59 0.66 0.96 0.00 -0.00 0.00 0.00 39.48 41.69 1xwn n PHE 92 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xwn h THR 93 N 2.86 0.36 0.00 -2.13 1.03 -1.95 -3.31 112.91 109.77 1xwn h THR 93 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.19 1xwn h THR 93 Cb 1.25 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 69.27 1xwn h THR 93 CO 0.17 0.00 0.00 0.61 -0.01 0.00 0.00 175.52 176.29 1xwn n GLY 94 N -1.28 1.55 3.08 2.99 0.00 -1.26 -3.80 105.19 106.48 1xwn n GLY 94 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn s ALA 95 N -2.77 3.23 0.00 4.61 0.00 -1.24 -0.03 121.76 125.56 1xwn s ALA 95 Ca 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 51.96 49.18 1xwn s ALA 95 Cb 0.00 -2.38 0.00 0.00 0.00 0.00 0.00 23.12 20.74 1xwn s ALA 95 CO 0.00 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.29 1xwn n GLY 96 N 4.15 0.75 3.05 0.00 0.00 0.22 -4.95 105.19 108.41 1xwn n GLY 96 Ca 0.02 -0.36 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.84 0.30 -0.21 -0.61 1.09 -1.17 -1.61 121.20 116.14 1xwn s ILE 97 Ca 0.00 -1.36 0.01 0.00 -1.10 0.00 0.00 60.65 58.20 1xwn s ILE 97 Cb 0.00 -0.90 0.05 0.00 -1.06 0.00 0.00 42.46 40.55 1xwn s ILE 97 CO 0.00 -0.69 -0.06 -0.76 -0.10 0.00 0.00 174.94 173.33 1xwn s LEU 98 N -2.15 2.33 -0.10 2.97 2.01 0.07 -2.19 118.68 121.61 1xwn s LEU 98 Ca -0.04 -1.02 -0.02 0.00 0.01 0.00 0.00 54.13 53.06 1xwn s LEU 98 Cb -0.02 -1.14 -0.03 0.00 0.01 0.00 0.00 46.19 45.00 1xwn s LEU 98 CO -0.04 -0.21 -0.02 0.00 1.01 0.00 0.00 176.35 177.09 1xwn s ALA 99 N 1.44 3.14 -0.61 4.21 0.00 -1.17 -0.02 121.76 128.76 1xwn s ALA 99 Ca -0.04 -0.83 -0.28 0.00 0.00 0.00 0.00 51.96 50.82 1xwn s ALA 99 Cb -0.18 -1.45 0.03 0.00 0.00 0.00 0.00 23.12 21.52 1xwn s ALA 99 CO -0.07 0.47 1.23 1.41 0.00 0.00 0.00 175.76 178.81 1xwn s MET 100 N -0.50 3.43 0.71 0.00 1.75 0.23 -3.30 119.30 121.62 1xwn s MET 100 Ca 0.08 0.18 -0.11 0.00 -1.25 0.00 0.00 55.69 54.59 1xwn s MET 100 Cb -0.12 -4.06 0.02 0.00 2.84 0.00 0.00 34.83 33.51 1xwn s MET 100 CO 0.02 -1.80 1.09 0.00 -0.65 0.00 0.00 175.02 173.69 1xwn s ALA 101 N 5.22 2.90 0.25 4.11 0.00 -1.17 -3.67 121.76 129.41 1xwn s ALA 101 Ca 0.42 -0.38 -0.03 0.00 0.00 0.00 0.00 51.96 51.97 1xwn s ALA 101 Cb -0.08 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 1xwn s ALA 101 CO 0.23 -1.15 0.30 0.54 0.00 0.00 0.00 175.76 175.68 1xwn s ASN 102 N -4.37 0.42 -0.20 0.00 4.22 -1.26 -4.02 114.94 109.73 1xwn s ASN 102 Ca 0.58 -1.34 0.06 0.00 -2.14 0.00 0.00 52.86 50.03 1xwn s ASN 102 Cb -0.11 0.51 -0.21 0.00 1.28 0.00 0.00 41.25 42.71 1xwn s ASN 102 CO 0.51 -1.03 0.05 0.00 -2.04 0.00 0.00 177.10 174.60 1xwn n ALA 103 N -0.40 1.37 -3.84 3.54 0.00 -1.05 -4.88 120.51 115.25 1xwn n ALA 103 Ca 0.02 -1.05 -0.04 0.00 0.00 0.00 0.00 53.44 52.37 1xwn n ALA 103 Cb 0.64 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.80 1xwn n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 104 N 1.99 1.20 3.68 0.00 0.00 -1.20 -5.06 105.19 105.81 1xwn n GLY 104 Ca -0.37 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 43.90 1xwn n GLY 104 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xwn s PRO 105 N -2.23 4.16 -1.65 1.61 0.04 -1.26 -1.75 135.00 133.91 1xwn s PRO 105 Ca 0.19 2.51 0.00 0.00 0.04 0.00 0.00 61.00 63.74 1xwn s PRO 105 Cb -0.04 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1xwn s PRO 105 CO 0.14 -0.83 0.00 -0.25 0.04 0.00 0.00 177.00 176.10 1xwn n ASP 106 N 5.99 -5.38 -3.51 6.66 9.92 -1.26 -4.95 116.55 124.02 1xwn n ASP 106 Ca 0.17 0.05 -0.28 0.00 -0.53 0.00 0.00 54.79 54.21 1xwn n ASP 106 Cb 0.39 -4.44 -0.11 0.00 -0.64 0.00 0.00 41.12 36.32 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 -2.90 0.67 -0.03 -3.53 2.01 -0.72 -4.56 115.64 106.59 1xwn s THR 107 Ca 0.00 -2.50 -0.28 0.00 0.31 0.00 0.00 61.69 59.22 1xwn s THR 107 Cb 0.00 -1.47 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1xwn s THR 107 CO 0.00 -1.09 0.89 0.20 -0.69 0.00 0.00 174.62 173.93 1xwn s ASN 108 N 0.27 7.23 0.00 3.53 0.02 -1.23 -2.52 114.94 122.24 1xwn s ASN 108 Ca 0.25 1.49 0.00 0.00 -1.02 0.00 0.00 52.86 53.59 1xwn s ASN 108 Cb -0.09 -2.52 0.00 0.00 0.02 0.00 0.00 41.25 38.66 1xwn s ASN 108 CO -0.10 -0.24 0.00 0.61 0.02 0.00 0.00 177.10 177.39 1xwn n GLY 109 N 3.00 2.81 2.72 0.66 0.00 -1.26 -4.27 105.19 108.85 1xwn n GLY 109 Ca 0.04 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.63 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 -1.06 5.21 -3.79 1.61 7.64 -1.26 -4.92 113.62 117.06 1xwn n SER 110 Ca 0.00 -3.48 -0.12 0.00 1.01 0.00 0.00 58.87 56.28 1xwn n SER 110 Cb 0.00 -0.95 -0.08 0.00 -1.01 0.00 0.00 64.21 62.17 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 -2.85 0.70 0.06 1.43 -0.21 -1.26 -3.93 119.66 113.60 1xwn s GLN 111 Ca 0.37 -0.40 -0.10 0.00 0.02 0.00 0.00 55.36 55.26 1xwn s GLN 111 Cb 0.12 0.30 0.00 0.00 1.00 0.00 0.00 33.01 34.44 1xwn s GLN 111 CO 0.02 -0.20 0.21 -0.59 -2.12 0.00 0.00 175.29 172.60 1xwn s PHE 112 N -1.96 0.07 -0.04 0.91 -0.12 -1.23 -3.02 117.98 112.59 1xwn s PHE 112 Ca -0.09 -0.36 -0.00 0.00 -0.05 0.00 0.00 56.93 56.42 1xwn s PHE 112 Cb -0.03 -0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.36 1xwn s PHE 112 CO 0.00 -0.48 0.01 -0.59 -0.05 0.00 0.00 175.22 174.11 1xwn s PHE 113 N -3.03 0.33 -0.27 3.49 -0.71 -1.21 -1.40 117.98 115.18 1xwn s PHE 113 Ca -0.01 0.02 -0.12 0.00 -1.04 0.00 0.00 56.93 55.77 1xwn s PHE 113 Cb 0.01 -0.50 -0.05 0.00 -1.21 0.00 0.00 43.02 41.28 1xwn s PHE 113 CO -0.06 -0.18 0.25 0.54 -1.34 0.00 0.00 175.22 174.43 1xwn s VAL 114 N 1.41 5.26 -0.05 -2.49 0.11 0.14 -3.02 120.40 121.76 1xwn s VAL 114 Ca -0.04 0.31 -0.26 0.00 -2.93 0.00 0.00 61.98 59.06 1xwn s VAL 114 Cb -0.13 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.10 1xwn s VAL 114 CO -0.03 0.22 0.81 0.42 -3.33 0.00 0.00 175.10 173.19 1xwn s THR 115 N 1.85 4.97 -0.04 5.04 -4.23 -0.93 -2.29 115.64 120.01 1xwn s THR 115 Ca 0.10 1.67 0.10 0.00 -1.18 0.00 0.00 61.69 62.38 1xwn s THR 115 Cb -0.16 -4.14 -0.16 0.00 1.34 0.00 0.00 72.50 69.38 1xwn s THR 115 CO 0.10 0.20 0.24 0.00 -0.54 0.00 0.00 174.62 174.62 1xwn n LEU 116 N 3.96 0.03 -4.43 4.79 -0.00 -0.05 0.70 117.00 122.00 1xwn n LEU 116 Ca 0.02 -0.03 -0.22 0.00 -0.00 0.00 0.00 56.01 55.78 1xwn n LEU 116 Cb 0.51 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.83 1xwn n LEU 116 CO 0.49 0.01 -0.46 0.00 -0.00 0.00 0.00 177.39 177.42 1xwn s ALA 117 N -2.68 2.53 0.05 1.47 0.00 0.96 -4.28 121.76 119.80 1xwn s ALA 117 Ca -0.03 -1.82 -0.36 0.00 0.00 0.00 0.00 51.96 49.74 1xwn s ALA 117 Cb 0.07 -0.19 -0.15 0.00 0.00 0.00 0.00 23.12 22.85 1xwn s ALA 117 CO 0.43 0.20 1.53 -0.35 0.00 0.00 0.00 175.76 177.57 1xwn n PRO 118 N -0.55 1.63 -2.75 0.00 -0.04 -1.25 -4.15 135.00 127.89 1xwn n PRO 118 Ca -0.06 0.59 -0.03 0.00 -0.04 0.00 0.00 63.50 63.96 1xwn n PRO 118 Cb 0.60 -2.31 0.07 0.00 -0.04 0.00 0.00 33.50 31.83 1xwn n PRO 118 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xwn n THR 119 N 3.37 0.75 0.16 0.52 -2.24 -1.25 -4.93 114.28 110.66 1xwn n THR 119 Ca 0.19 -2.29 0.09 0.00 -2.27 0.00 0.00 64.05 59.78 1xwn n THR 119 Cb 0.23 1.08 0.60 0.00 -2.10 0.00 0.00 70.33 70.14 1xwn n THR 119 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xwn h GLN 120 N 2.19 0.13 0.00 -0.78 4.20 -1.84 -1.06 115.11 117.94 1xwn h GLN 120 Ca -0.23 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.46 1xwn h GLN 120 Cb 1.26 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 29.01 1xwn h GLN 120 CO 0.11 0.08 -0.04 0.11 -0.67 0.00 0.00 178.83 178.42 1xwn h TRP 121 N 0.13 0.00 -0.00 2.96 0.09 -1.92 -0.49 115.95 116.72 1xwn h TRP 121 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.05 1xwn h TRP 121 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.37 1xwn h TRP 121 CO -0.00 0.04 -0.01 1.28 0.09 0.00 0.00 178.44 179.84 1xwn n LEU 122 N -4.37 0.16 -4.57 0.11 4.77 -0.40 -4.70 117.00 108.00 1xwn n LEU 122 Ca -0.03 0.04 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 1xwn n LEU 122 Cb 0.13 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 1xwn n LEU 122 CO 0.34 0.03 1.36 -0.62 -1.33 0.00 0.00 177.39 177.16 1xwn s ASP 123 N -2.21 4.79 0.00 -1.43 2.15 -0.20 -2.14 116.67 117.64 1xwn s ASP 123 Ca 0.40 -0.97 0.00 0.00 0.43 0.00 0.00 52.55 52.41 1xwn s ASP 123 Cb 0.21 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 1xwn s ASP 123 CO 0.40 -3.19 0.00 0.61 -0.17 0.00 0.00 175.17 172.82 1xwn n GLY 124 N 6.41 0.93 0.16 2.66 0.00 -1.26 -5.03 105.19 109.06 1xwn n GLY 124 Ca 0.43 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.35 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 -0.35 -6.75 1.61 1.57 -1.77 -3.47 116.57 107.42 1xwn h LYS 125 Ca 0.00 0.02 -0.44 0.00 -1.87 0.00 0.00 60.65 58.36 1xwn h LYS 125 Cb 0.00 0.08 0.04 0.00 0.08 0.00 0.00 32.23 32.43 1xwn h LYS 125 CO 0.00 -0.23 -0.08 -1.01 -0.57 0.00 0.00 179.45 177.56 1xwn s HIS 126 N -2.77 2.49 0.22 -1.35 3.76 -1.26 -5.07 115.29 111.31 1xwn s HIS 126 Ca -0.05 -0.24 0.09 0.00 -0.15 0.00 0.00 55.06 54.71 1xwn s HIS 126 Cb 0.01 -2.63 -0.04 0.00 1.11 0.00 0.00 32.58 31.02 1xwn s HIS 126 CO 0.16 -0.91 -0.06 -0.08 -0.85 0.00 0.00 174.74 172.99 1xwn s THR 127 N -2.70 3.27 0.92 1.30 -1.32 -1.24 -4.96 115.64 110.91 1xwn s THR 127 Ca 0.59 -1.78 -0.16 0.00 -1.21 0.00 0.00 61.69 59.13 1xwn s THR 127 Cb -0.09 -2.67 0.21 0.00 -1.51 0.00 0.00 72.50 68.44 1xwn s THR 127 CO 0.38 -0.22 1.25 -0.38 -2.21 0.00 0.00 174.62 173.44 1xwn n ILE 128 N -0.34 0.00 0.00 5.08 2.08 -1.26 0.78 119.36 125.70 1xwn n ILE 128 Ca -0.09 -0.92 0.00 0.00 0.56 0.00 0.00 62.75 62.30 1xwn n ILE 128 Cb 0.57 -1.54 0.00 0.00 -0.75 0.00 0.00 39.64 37.92 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 1xwn n PHE 129 N -3.73 0.00 -4.14 1.39 1.16 -0.75 -3.53 117.46 107.86 1xwn n PHE 129 Ca 0.16 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.57 1xwn n PHE 129 Cb 0.54 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.37 1xwn n PHE 129 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1xwn n GLY 130 N -0.51 2.40 3.34 4.97 0.00 0.98 -3.48 105.19 112.89 1xwn n GLY 130 Ca 0.00 -1.72 -0.10 0.00 0.00 0.00 0.00 46.02 44.20 1xwn n GLY 130 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1xwn s ARG 131 N -3.00 1.10 -0.63 1.61 3.52 -0.77 -0.75 118.95 120.02 1xwn s ARG 131 Ca 0.33 -0.73 -0.08 0.00 -0.13 0.00 0.00 55.73 55.11 1xwn s ARG 131 Cb 0.00 0.47 0.16 0.00 -1.56 0.00 0.00 34.95 34.03 1xwn s ARG 131 CO 0.23 -0.44 0.51 0.08 -0.81 0.00 0.00 175.30 174.88 1xwn s VAL 132 N -3.81 4.46 -0.07 7.11 1.01 -0.64 0.87 120.40 129.34 1xwn s VAL 132 Ca 0.04 -2.41 -0.16 0.00 0.00 0.00 0.00 61.98 59.45 1xwn s VAL 132 Cb 0.02 -3.86 -0.30 0.00 0.00 0.00 0.00 36.38 32.23 1xwn s VAL 132 CO -0.11 -0.89 0.69 0.00 0.00 0.00 0.00 175.10 174.79 1xwn s GLN 134 N -2.51 0.82 0.00 0.00 0.74 -1.22 -4.78 119.66 112.72 1xwn s GLN 134 Ca -0.17 -0.69 0.00 0.00 0.05 0.00 0.00 55.36 54.55 1xwn s GLN 134 Cb 0.04 -2.15 0.00 0.00 1.10 0.00 0.00 33.01 32.00 1xwn s GLN 134 CO 0.82 -0.73 0.00 0.41 -0.55 0.00 0.00 175.29 175.24 1xwn n GLY 135 N 4.94 0.71 0.45 2.59 0.00 -1.26 0.28 105.19 112.90 1xwn n GLY 135 Ca -0.08 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.22 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 0.48 -0.97 -0.61 2.10 -1.86 0.64 117.51 117.29 1xwn h ILE 136 Ca 0.00 -0.08 0.05 0.00 1.08 0.00 0.00 64.86 65.92 1xwn h ILE 136 Cb 0.00 0.23 -0.06 0.00 -1.09 0.00 0.00 36.82 35.90 1xwn h ILE 136 CO 0.00 0.04 0.63 1.23 -1.08 0.00 0.00 178.15 178.98 1xwn h GLY 137 N 0.23 1.45 0.82 8.18 0.00 -1.96 -0.61 103.07 111.18 1xwn h GLY 137 Ca 0.57 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.40 1xwn h GLY 137 CO -0.18 0.36 -0.01 1.98 0.00 0.00 0.00 176.54 178.68 1xwn h MET 138 N 1.17 0.38 -0.82 4.80 1.85 -1.23 -2.97 114.93 118.10 1xwn h MET 138 Ca 0.41 -0.13 0.01 0.00 -0.61 0.00 0.00 59.70 59.38 1xwn h MET 138 Cb 0.12 -0.03 -0.04 0.00 0.43 0.00 0.00 31.60 32.07 1xwn h MET 138 CO -0.15 0.59 0.54 0.28 -0.40 0.00 0.00 176.91 177.78 1xwn h VAL 139 N 0.13 1.20 -0.94 -5.77 2.07 -1.35 -1.96 116.25 109.62 1xwn h VAL 139 Ca 0.06 -0.38 0.07 0.00 0.82 0.00 0.00 66.70 67.27 1xwn h VAL 139 Cb 0.43 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.14 1xwn h VAL 139 CO 0.01 0.20 0.60 0.78 0.02 0.00 0.00 177.57 179.18 1xwn h ASN 140 N 1.10 0.94 -0.61 0.57 2.35 -0.98 -1.37 115.58 117.58 1xwn h ASN 140 Ca 0.31 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 56.05 1xwn h ASN 140 Cb -0.10 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.06 1xwn h ASN 140 CO -0.07 0.60 0.30 0.03 -1.65 0.00 0.00 177.43 176.63 1xwn h ARG 141 N 1.08 0.91 -0.92 0.81 3.08 -1.22 0.27 114.38 118.40 1xwn h ARG 141 Ca 0.41 -0.12 0.06 0.00 0.07 0.00 0.00 59.98 60.39 1xwn h ARG 141 Cb 0.18 -0.17 -0.06 0.00 0.08 0.00 0.00 29.97 30.00 1xwn h ARG 141 CO -0.18 0.72 0.58 0.28 -1.07 0.00 0.00 179.97 180.30 1xwn h VAL 142 N 0.91 1.08 0.00 2.04 2.07 -1.10 -0.16 116.25 121.09 1xwn h VAL 142 Ca 0.22 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.37 1xwn h VAL 142 Cb 0.11 -0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.79 1xwn h VAL 142 CO -0.03 0.20 -0.79 0.61 0.02 0.00 0.00 177.57 177.58 1xwn n GLY 143 N -1.34 -1.25 0.11 2.17 0.00 -0.94 -4.17 105.19 99.77 1xwn n GLY 143 Ca 0.13 -0.37 -0.17 0.00 0.00 0.00 0.00 46.02 45.62 1xwn n GLY 143 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xwn h MET 144 N 0.00 0.25 -6.70 1.61 -1.53 0.20 -3.20 114.93 105.56 1xwn h MET 144 Ca 0.00 -0.42 -0.56 0.00 -3.44 0.00 0.00 59.70 55.28 1xwn h MET 144 Cb 0.66 0.16 0.19 0.00 -0.55 0.00 0.00 31.60 32.05 1xwn h MET 144 CO 0.00 1.11 -0.35 1.33 0.14 0.00 0.00 176.91 179.14 1xwn n VAL 145 N -3.45 1.75 -2.06 -5.77 0.24 -0.14 -4.81 118.33 104.09 1xwn n VAL 145 Ca -0.16 -0.38 -0.33 0.00 -2.04 0.00 0.00 64.34 61.43 1xwn n VAL 145 Cb 1.04 -0.77 -0.04 0.00 -1.47 0.00 0.00 33.84 32.61 1xwn n VAL 145 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1xwn s GLU 146 N -2.88 2.62 0.82 7.34 2.12 -1.26 -4.95 118.70 122.51 1xwn s GLU 146 Ca 0.66 0.17 -0.12 0.00 0.36 0.00 0.00 54.97 56.03 1xwn s GLU 146 Cb -0.34 -4.69 0.09 0.00 0.26 0.00 0.00 34.13 29.44 1xwn s GLU 146 CO 0.58 -2.99 1.19 0.95 -0.54 0.00 0.00 175.26 174.44 1xwn s THR 147 N 9.38 2.00 0.90 -1.70 -4.23 -1.26 -4.40 115.64 116.32 1xwn s THR 147 Ca 0.67 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 1xwn s THR 147 Cb -0.10 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.94 1xwn s THR 147 CO 0.11 0.00 1.24 0.20 -0.54 0.00 0.00 174.62 175.62 1xwn s ASN 148 N -4.60 3.33 -0.24 3.99 -0.87 -1.00 -4.97 114.94 110.60 1xwn s ASN 148 Ca 0.63 -0.06 0.02 0.00 -1.57 0.00 0.00 52.86 51.89 1xwn s ASN 148 Cb -0.11 -0.02 0.36 0.00 -0.02 0.00 0.00 41.25 41.47 1xwn s ASN 148 CO 0.49 -2.56 1.48 -1.20 -2.57 0.00 0.00 177.10 172.74 1xwn n SER 149 N -3.51 3.41 -1.66 -1.22 7.64 -1.26 -3.82 113.62 113.19 1xwn n SER 149 Ca 0.17 -2.85 -0.04 0.00 1.01 0.00 0.00 58.87 57.16 1xwn n SER 149 Cb 0.60 -0.68 0.01 0.00 -1.01 0.00 0.00 64.21 63.12 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwn n GLN 150 N -0.35 0.51 -3.45 1.43 1.13 -1.26 -5.03 117.38 110.35 1xwn n GLN 150 Ca 0.31 -1.36 -0.21 0.00 -1.94 0.00 0.00 57.00 53.80 1xwn n GLN 150 Cb 1.12 0.27 0.05 0.00 0.11 0.00 0.00 30.24 31.78 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1xwn n ASP 151 N -0.42 -6.12 -3.80 1.08 9.92 -1.25 -5.01 116.55 110.95 1xwn n ASP 151 Ca -0.18 -0.78 -0.27 0.00 -0.53 0.00 0.00 54.79 53.03 1xwn n ASP 151 Cb 0.81 -4.20 -0.17 0.00 -0.64 0.00 0.00 41.12 36.93 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1xwn s ARG 152 N -4.96 0.90 -0.05 -1.24 0.52 -1.26 -4.42 118.95 108.43 1xwn s ARG 152 Ca 0.38 -0.31 -0.29 0.00 -0.52 0.00 0.00 55.73 54.98 1xwn s ARG 152 Cb -0.10 -1.78 -0.07 0.00 0.52 0.00 0.00 34.95 33.52 1xwn s ARG 152 CO 0.81 -0.48 1.95 -2.14 0.02 0.00 0.00 175.30 175.45 1xwn s PRO 153 N 1.81 3.90 0.28 3.54 0.02 -1.26 -2.37 135.00 140.92 1xwn s PRO 153 Ca 0.01 2.34 0.03 0.00 0.02 0.00 0.00 61.00 63.40 1xwn s PRO 153 Cb -0.15 -4.17 0.39 0.00 0.02 0.00 0.00 34.50 30.59 1xwn s PRO 153 CO -0.07 -1.22 1.70 -0.39 -0.33 0.00 0.00 177.00 176.69 1xwn h VAL 154 N 6.00 1.28 -3.23 3.83 -1.51 -1.94 -3.45 116.25 117.24 1xwn h VAL 154 Ca -0.45 -1.37 -0.45 0.00 -1.23 0.00 0.00 66.70 63.20 1xwn h VAL 154 Cb 1.22 1.46 0.14 0.00 -2.13 0.00 0.00 31.29 31.99 1xwn h VAL 154 CO 0.95 0.43 0.32 -1.81 -1.23 0.00 0.00 177.57 176.23 1xwn s ASP 155 N -6.84 3.32 -0.98 4.19 1.11 -1.26 -5.03 116.67 111.18 1xwn s ASP 155 Ca -0.06 -0.06 -0.05 0.00 0.18 0.00 0.00 52.55 52.55 1xwn s ASP 155 Cb 0.13 -0.01 0.24 0.00 1.07 0.00 0.00 42.92 44.36 1xwn s ASP 155 CO 0.79 -2.57 0.92 -1.81 1.18 0.00 0.00 175.17 173.68 1xwn s ASP 156 N -4.90 6.58 -0.34 0.27 1.01 -1.26 -5.03 116.67 113.01 1xwn s ASP 156 Ca 0.73 -3.64 -0.14 0.00 0.71 0.00 0.00 52.55 50.22 1xwn s ASP 156 Cb -0.03 -2.05 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 1xwn s ASP 156 CO 0.51 -0.24 0.28 -0.69 0.21 0.00 0.00 175.17 175.24 1xwn s VAL 157 N -1.26 5.24 0.31 -1.27 1.01 -1.26 -4.44 120.40 118.73 1xwn s VAL 157 Ca 0.28 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 62.10 1xwn s VAL 157 Cb -0.09 -3.74 0.00 0.00 0.00 0.00 0.00 36.38 32.55 1xwn s VAL 157 CO -0.10 -0.02 0.49 -1.59 0.00 0.00 0.00 175.10 173.87 1xwn s LYS 158 N 1.83 1.78 0.07 2.72 0.00 -1.26 -3.45 119.74 121.42 1xwn s LYS 158 Ca 0.08 -1.55 0.05 0.00 0.00 0.00 0.00 55.97 54.55 1xwn s LYS 158 Cb -0.17 0.46 -0.04 0.00 0.00 0.00 0.00 37.83 38.08 1xwn s LYS 158 CO 0.11 -0.74 -0.03 0.42 0.00 0.00 0.00 175.35 175.11 1xwn s ILE 159 N -3.37 3.85 0.00 3.79 1.01 0.22 0.57 121.20 127.26 1xwn s ILE 159 Ca 0.27 -0.96 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1xwn s ILE 159 Cb -0.01 -2.79 0.00 0.00 0.01 0.00 0.00 42.46 39.68 1xwn s ILE 159 CO 0.15 0.20 0.00 2.30 0.00 0.00 0.00 174.94 177.59 1xwn n ILE 160 N 0.86 0.00 -4.12 2.92 -5.35 -0.96 -3.37 119.36 109.34 1xwn n ILE 160 Ca -0.12 0.00 -0.08 0.00 -0.27 0.00 0.00 62.75 62.27 1xwn n ILE 160 Cb 0.52 -0.46 -0.10 0.00 -1.74 0.00 0.00 39.64 37.86 1xwn n ILE 160 CO 0.00 0.00 0.00 -0.54 -1.76 0.00 0.00 176.55 174.25 1xwn s LYS 161 N -1.79 0.75 -0.28 6.28 1.02 -0.30 -4.51 119.74 120.91 1xwn s LYS 161 Ca 0.00 -1.31 -0.02 0.00 0.02 0.00 0.00 55.97 54.66 1xwn s LYS 161 Cb 0.00 0.15 0.17 0.00 -0.52 0.00 0.00 37.83 37.62 1xwn s LYS 161 CO 0.00 -0.14 0.51 0.00 -0.92 0.00 0.00 175.35 174.80 1xwn s ALA 162 N -3.91 -1.80 0.27 5.17 0.00 -1.26 -2.33 121.76 117.91 1xwn s ALA 162 Ca 0.13 1.49 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1xwn s ALA 162 Cb 0.07 -1.97 -0.06 0.00 0.00 0.00 0.00 23.12 21.17 1xwn s ALA 162 CO -0.05 -1.30 0.00 0.71 0.00 0.00 0.00 175.76 175.12 1xwn s TYR 163 N 2.74 1.80 0.90 0.00 1.51 -0.28 -4.75 117.35 119.27 1xwn s TYR 163 Ca 0.17 -0.88 -0.14 0.00 -1.01 0.00 0.00 57.07 55.22 1xwn s TYR 163 Cb -0.15 -1.09 0.15 0.00 -0.11 0.00 0.00 41.96 40.77 1xwn s TYR 163 CO -0.19 0.06 1.26 -2.14 -1.11 0.00 0.00 175.55 173.43 1xwn s PRO 164 N -3.84 1.17 -0.28 -1.71 0.02 -1.26 0.25 135.00 129.35 1xwn s PRO 164 Ca 0.31 -0.19 -0.00 0.00 0.02 0.00 0.00 61.00 61.14 1xwn s PRO 164 Cb 0.06 -1.89 0.09 0.00 0.02 0.00 0.00 34.50 32.78 1xwn s PRO 164 CO 0.12 -2.09 0.05 0.45 -0.33 0.00 0.00 177.00 175.20 1xwn s SER 165 N -4.76 3.95 0.00 2.53 0.15 -0.63 -3.78 113.70 111.16 1xwn s SER 165 Ca 0.69 -1.50 0.00 0.00 0.70 0.00 0.00 55.95 55.84 1xwn s SER 165 Cb -0.07 -1.01 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 1xwn s SER 165 CO 0.51 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.21