#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 3.88 0.24 3.17 0.00 -1.26 -4.96 121.76 122.84 1xwn s ALA 2 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1xwn s ALA 2 Cb 0.00 -1.92 0.00 0.00 0.00 0.00 0.00 23.12 21.20 1xwn s ALA 2 CO 0.00 0.49 0.00 0.00 0.00 0.00 0.00 175.76 176.25 1xwn n ALA 3 N -0.57 -1.88 -3.66 0.00 0.00 -1.26 -4.92 120.51 108.24 1xwn n ALA 3 Ca -0.05 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.22 1xwn n ALA 3 Cb 0.54 -0.94 -0.10 0.00 0.00 0.00 0.00 19.45 18.95 1xwn n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1xwn s ILE 4 N -2.47 3.82 0.96 0.00 1.09 -1.26 -5.09 121.20 118.25 1xwn s ILE 4 Ca 0.00 -2.12 -0.13 0.00 -1.10 0.00 0.00 60.65 57.30 1xwn s ILE 4 Cb 0.00 -3.54 0.03 0.00 -1.06 0.00 0.00 42.46 37.89 1xwn s ILE 4 CO 0.00 -0.77 0.35 -2.65 -0.10 0.00 0.00 174.94 171.77 1xwn n PRO 5 N 4.51 -0.32 -1.70 2.79 -0.02 -1.26 -4.80 135.00 134.20 1xwn n PRO 5 Ca -0.02 -0.05 -0.54 0.00 -2.02 0.00 0.00 63.50 60.87 1xwn n PRO 5 Cb 0.41 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.00 1xwn n PRO 5 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1xwn n PRO 6 N -1.56 1.55 -4.50 0.52 -0.02 -1.26 -4.97 135.00 124.77 1xwn n PRO 6 Ca 0.06 0.57 -0.28 0.00 -2.02 0.00 0.00 63.50 61.83 1xwn n PRO 6 Cb 0.54 -2.31 -0.17 0.00 -0.02 0.00 0.00 33.50 31.54 1xwn n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xwn s ASP 7 N 3.61 2.41 0.34 2.55 1.01 -1.26 -5.07 116.67 120.26 1xwn s ASP 7 Ca 0.96 -0.42 0.00 0.00 0.71 0.00 0.00 52.55 53.79 1xwn s ASP 7 Cb -0.92 -1.08 0.00 0.00 1.01 0.00 0.00 42.92 41.93 1xwn s ASP 7 CO 0.60 0.02 0.00 -1.20 0.21 0.00 0.00 175.17 174.80 1xwn n SER 8 N 4.15 -7.06 -3.48 0.27 7.64 -1.26 -5.05 113.62 108.83 1xwn n SER 8 Ca -0.19 0.68 -0.10 0.00 1.01 0.00 0.00 58.87 60.27 1xwn n SER 8 Cb 0.51 -3.71 -0.02 0.00 -1.01 0.00 0.00 64.21 59.98 1xwn n SER 8 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 1xwn s TRP 9 N -2.59 -0.41 0.09 1.43 -0.11 -1.26 -5.16 118.94 110.93 1xwn s TRP 9 Ca 0.00 0.26 -0.26 0.00 1.22 0.00 0.00 56.10 57.32 1xwn s TRP 9 Cb 0.00 0.54 -0.06 0.00 -1.50 0.00 0.00 33.47 32.45 1xwn s TRP 9 CO 0.00 -0.65 0.82 1.14 -4.62 0.00 0.00 176.95 173.65 1xwn s GLN 10 N -3.30 4.57 -0.29 5.86 -2.07 -1.26 -5.02 119.66 118.15 1xwn s GLN 10 Ca 0.03 1.20 -0.29 0.00 -1.82 0.00 0.00 55.36 54.48 1xwn s GLN 10 Cb -0.01 -3.34 0.00 0.00 -1.09 0.00 0.00 33.01 28.57 1xwn s GLN 10 CO -0.10 0.33 1.23 -1.25 -1.32 0.00 0.00 175.29 174.18 1xwn s PRO 11 N -0.30 4.00 0.29 9.60 0.04 -1.26 -4.93 135.00 142.45 1xwn s PRO 11 Ca 0.40 1.25 0.04 0.00 0.04 0.00 0.00 61.00 62.73 1xwn s PRO 11 Cb -0.22 -3.82 0.45 0.00 0.04 0.00 0.00 34.50 30.94 1xwn s PRO 11 CO 0.26 -1.01 1.73 -1.00 0.04 0.00 0.00 177.00 177.02 1xwn h PRO 12 N 8.81 0.42 -5.77 0.56 0.13 -1.90 -3.44 132.00 130.82 1xwn h PRO 12 Ca -0.25 -0.16 -0.54 0.00 -0.87 0.00 0.00 66.00 64.18 1xwn h PRO 12 Cb 1.09 -0.02 -0.27 0.00 0.13 0.00 0.00 31.00 31.92 1xwn h PRO 12 CO 1.03 0.66 -0.83 1.21 -0.23 0.00 0.00 178.00 179.83 1xwn s ASN 13 N -6.83 2.15 0.13 1.44 3.84 -1.26 -2.61 114.94 111.80 1xwn s ASN 13 Ca -0.06 -0.41 0.07 0.00 0.21 0.00 0.00 52.86 52.67 1xwn s ASN 13 Cb 0.14 -0.20 -0.04 0.00 -0.55 0.00 0.00 41.25 40.60 1xwn s ASN 13 CO 0.78 0.17 -0.17 0.68 -2.79 0.00 0.00 177.10 175.77 1xwn s VAL 14 N -0.61 1.59 -0.42 -5.21 -7.23 -0.77 -2.97 120.40 104.79 1xwn s VAL 14 Ca 0.06 -1.74 -0.05 0.00 -1.81 0.00 0.00 61.98 58.45 1xwn s VAL 14 Cb -0.08 -1.63 0.11 0.00 0.56 0.00 0.00 36.38 35.34 1xwn s VAL 14 CO 0.00 -0.29 0.23 -0.31 -0.31 0.00 0.00 175.10 174.43 1xwn s TYR 15 N -1.85 3.53 -0.45 2.82 1.51 0.10 -1.32 117.35 121.69 1xwn s TYR 15 Ca 0.10 -2.22 -0.24 0.00 -1.01 0.00 0.00 57.07 53.70 1xwn s TYR 15 Cb -0.07 -3.24 0.02 0.00 -0.11 0.00 0.00 41.96 38.57 1xwn s TYR 15 CO 0.05 -0.97 0.87 -1.17 -1.11 0.00 0.00 175.55 173.22 1xwn s LEU 16 N 1.21 4.10 -0.49 -1.29 0.20 -0.78 -2.65 118.68 118.98 1xwn s LEU 16 Ca 0.07 0.08 -0.24 0.00 0.69 0.00 0.00 54.13 54.73 1xwn s LEU 16 Cb -0.23 -3.10 0.03 0.00 -0.43 0.00 0.00 46.19 42.45 1xwn s LEU 16 CO -0.03 -0.97 0.86 -1.61 -0.29 0.00 0.00 176.35 174.31 1xwn s GLU 17 N 3.53 3.39 0.21 1.98 2.02 -0.20 -2.91 118.70 126.71 1xwn s GLU 17 Ca 0.34 -0.16 0.09 0.00 0.02 0.00 0.00 54.97 55.26 1xwn s GLU 17 Cb -0.11 -3.99 -0.04 0.00 0.10 0.00 0.00 34.13 30.09 1xwn s GLU 17 CO 0.24 -1.28 -0.07 0.95 0.02 0.00 0.00 175.26 175.13 1xwn s THR 18 N 3.58 3.27 0.45 3.63 -4.23 -0.19 -2.34 115.64 119.80 1xwn s THR 18 Ca 0.31 -1.76 0.12 0.00 -1.18 0.00 0.00 61.69 59.18 1xwn s THR 18 Cb -0.12 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 71.28 1xwn s THR 18 CO 0.22 -0.20 2.04 -1.28 -0.54 0.00 0.00 174.62 174.85 1xwn h SER 19 N 2.56 0.18 0.16 3.99 0.87 -0.24 -1.83 113.55 119.23 1xwn h SER 19 Ca -0.46 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 59.94 1xwn h SER 19 Cb 1.22 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 1xwn h SER 19 CO 0.57 0.22 -0.54 -0.03 -0.53 0.00 0.00 176.83 176.51 1xwn h MET 20 N 0.20 0.42 0.00 2.24 1.85 -1.78 -3.47 114.93 114.39 1xwn h MET 20 Ca 0.05 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 58.88 1xwn h MET 20 Cb 0.13 0.03 0.00 0.00 0.43 0.00 0.00 31.60 32.19 1xwn h MET 20 CO 0.00 0.85 0.00 0.41 -0.40 0.00 0.00 176.91 177.78 1xwn n GLY 21 N 0.20 -0.58 3.03 1.39 0.00 -0.69 -5.10 105.19 103.44 1xwn n GLY 21 Ca -0.03 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 -3.38 1.26 -0.02 -0.61 2.07 -1.26 -1.02 121.20 118.24 1xwn s ILE 22 Ca 0.00 -0.53 -0.01 0.00 -1.41 0.00 0.00 60.65 58.70 1xwn s ILE 22 Cb 0.00 -1.15 0.01 0.00 0.13 0.00 0.00 42.46 41.44 1xwn s ILE 22 CO 0.00 0.39 0.04 0.27 -1.91 0.00 0.00 174.94 173.73 1xwn s ILE 23 N 0.79 -0.01 0.08 2.00 -4.36 -1.15 -4.76 121.20 113.79 1xwn s ILE 23 Ca -0.12 0.03 -0.04 0.00 -0.26 0.00 0.00 60.65 60.26 1xwn s ILE 23 Cb -0.16 -0.07 -0.05 0.00 1.25 0.00 0.00 42.46 43.44 1xwn s ILE 23 CO 0.02 0.01 0.29 0.68 0.24 0.00 0.00 174.94 176.19 1xwn s VAL 24 N 0.16 5.27 -0.14 8.37 -7.23 -0.05 -1.86 120.40 124.93 1xwn s VAL 24 Ca -0.01 -0.05 0.01 0.00 -1.81 0.00 0.00 61.98 60.12 1xwn s VAL 24 Cb -0.02 -3.61 0.02 0.00 0.56 0.00 0.00 36.38 33.33 1xwn s VAL 24 CO -0.00 0.17 -0.17 -0.76 -0.31 0.00 0.00 175.10 174.03 1xwn s LEU 25 N -2.33 1.82 -0.67 1.32 1.43 -0.44 -4.13 118.68 115.68 1xwn s LEU 25 Ca 0.35 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 52.81 1xwn s LEU 25 Cb -0.13 -1.23 0.17 0.00 0.03 0.00 0.00 46.19 45.04 1xwn s LEU 25 CO 0.23 -0.00 0.61 -0.70 0.23 0.00 0.00 176.35 176.72 1xwn s GLU 26 N 1.17 3.22 0.33 1.70 2.12 -0.04 -1.84 118.70 125.36 1xwn s GLU 26 Ca -0.01 -2.10 -0.21 0.00 0.36 0.00 0.00 54.97 53.01 1xwn s GLU 26 Cb -0.14 -4.30 -0.10 0.00 0.26 0.00 0.00 34.13 29.85 1xwn s GLU 26 CO -0.06 -1.29 0.86 -0.51 -0.54 0.00 0.00 175.26 173.71 1xwn s LEU 27 N 0.84 4.16 -0.59 2.70 1.02 -1.07 -0.65 118.68 125.08 1xwn s LEU 27 Ca 0.11 1.59 -0.27 0.00 0.02 0.00 0.00 54.13 55.58 1xwn s LEU 27 Cb -0.20 -4.10 -0.01 0.00 0.02 0.00 0.00 46.19 41.91 1xwn s LEU 27 CO -0.03 -0.16 1.69 -0.31 0.02 0.00 0.00 176.35 177.55 1xwn s TYR 28 N -1.84 1.88 -1.40 0.29 1.51 -1.10 -4.84 117.35 111.85 1xwn s TYR 28 Ca 0.53 0.60 0.01 0.00 -1.01 0.00 0.00 57.07 57.20 1xwn s TYR 28 Cb -0.14 -4.23 0.04 0.00 -0.11 0.00 0.00 41.96 37.53 1xwn s TYR 28 CO 0.19 -2.28 0.77 -2.67 -1.11 0.00 0.00 175.55 170.45 1xwn n TRP 29 N 11.43 0.10 -0.00 2.71 4.27 -1.26 -1.82 117.44 132.86 1xwn n TRP 29 Ca 0.17 -0.04 -0.00 0.00 -3.89 0.00 0.00 57.50 53.74 1xwn n TRP 29 Cb 0.51 -0.07 -0.00 0.00 -1.36 0.00 0.00 31.31 30.38 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 -0.14 0.01 -0.00 -2.67 4.01 -1.26 -4.53 118.16 113.57 1xwn n LYS 30 Ca 0.02 0.01 0.10 0.00 -0.51 0.00 0.00 58.31 57.92 1xwn n LYS 30 Cb 0.19 -0.52 -0.14 0.00 -0.51 0.00 0.00 35.03 34.05 1xwn n LYS 30 CO 0.00 0.00 0.00 1.58 -1.11 0.00 0.00 177.40 177.87 1xwn n HIS 31 N -2.53 0.00 0.85 2.13 -0.00 -1.26 -4.41 115.22 110.00 1xwn n HIS 31 Ca -0.00 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1xwn n HIS 31 Cb 0.01 -0.19 0.18 0.00 -0.12 0.00 0.00 29.99 29.86 1xwn n HIS 31 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xwn n ALA 32 N -1.79 2.46 -0.43 1.57 0.00 -0.76 -4.60 120.51 116.97 1xwn n ALA 32 Ca 0.01 -0.75 0.36 0.00 0.00 0.00 0.00 53.44 53.06 1xwn n ALA 32 Cb 0.41 -0.87 0.64 0.00 0.00 0.00 0.00 19.45 19.64 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 4.38 0.06 0.21 0.00 0.11 -1.73 0.44 132.00 135.46 1xwn h PRO 33 Ca 0.00 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 1xwn h PRO 33 Cb 0.94 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1xwn h PRO 33 CO 0.00 0.04 -0.10 -0.22 -0.21 0.00 0.00 178.00 177.51 1xwn h LYS 34 N 0.06 -0.27 -0.66 1.05 1.63 -1.91 -0.43 116.57 116.05 1xwn h LYS 34 Ca 0.84 0.02 -0.07 0.00 -0.85 0.00 0.00 60.65 60.58 1xwn h LYS 34 Cb 2.56 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 34.22 1xwn h LYS 34 CO -0.49 -0.08 0.13 1.15 -3.45 0.00 0.00 179.45 176.71 1xwn h THR 35 N -0.41 1.26 -0.31 1.00 2.02 -0.66 -2.48 112.91 113.34 1xwn h THR 35 Ca -0.03 -1.00 0.04 0.00 0.77 0.00 0.00 66.41 66.19 1xwn h THR 35 Cb 0.31 0.63 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 1xwn h THR 35 CO 0.05 0.38 0.07 0.00 0.37 0.00 0.00 175.52 176.38 1xwn h LYS 37 N 0.18 0.89 0.19 0.00 1.57 -0.91 0.14 116.57 118.64 1xwn h LYS 37 Ca 0.14 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 1xwn h LYS 37 Cb 0.15 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.26 1xwn h LYS 37 CO -0.18 0.59 -0.09 -0.97 -0.57 0.00 0.00 179.45 178.22 1xwn h ASN 38 N 0.92 -0.22 -0.78 0.86 -1.24 -0.89 0.23 115.58 114.45 1xwn h ASN 38 Ca 0.29 -0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.29 1xwn h ASN 38 Cb 0.00 0.06 -0.04 0.00 0.73 0.00 0.00 38.32 39.07 1xwn h ASN 38 CO -0.10 -0.15 0.45 0.15 -1.29 0.00 0.00 177.43 176.49 1xwn h PHE 39 N -0.27 1.05 -0.37 0.67 3.57 -0.55 0.11 116.94 121.16 1xwn h PHE 39 Ca -0.03 -0.01 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1xwn h PHE 39 Cb 0.21 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1xwn h PHE 39 CO -0.06 0.72 -0.00 0.00 -2.23 0.00 0.00 178.31 176.74 1xwn h ALA 40 N 1.24 0.50 -0.44 2.41 0.00 -0.53 -2.14 119.26 120.29 1xwn h ALA 40 Ca 0.28 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 1xwn h ALA 40 Cb -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1xwn h ALA 40 CO -0.05 0.28 -0.07 0.93 0.00 0.00 0.00 179.25 180.33 1xwn h GLU 41 N 0.48 0.83 -0.34 0.00 3.07 -0.29 0.95 114.58 119.29 1xwn h GLU 41 Ca 0.11 -0.30 -0.03 0.00 -0.50 0.00 0.00 59.36 58.63 1xwn h GLU 41 Cb 0.47 -0.06 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 1xwn h GLU 41 CO 0.02 0.93 0.08 1.25 -1.40 0.00 0.00 179.01 179.89 1xwn h LEU 42 N 0.67 0.45 0.04 1.33 5.85 -0.73 0.70 115.31 123.62 1xwn h LEU 42 Ca 0.12 -0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.52 1xwn h LEU 42 Cb 0.60 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1xwn h LEU 42 CO 0.04 0.46 -1.32 0.00 -0.34 0.00 0.00 178.44 177.27 1xwn h ALA 43 N 1.61 0.42 0.18 1.25 0.00 -1.20 -2.53 119.26 118.99 1xwn h ALA 43 Ca 0.12 -1.10 -0.34 0.00 0.00 0.00 0.00 54.91 53.59 1xwn h ALA 43 Cb 0.19 0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1xwn h ALA 43 CO -0.00 1.29 -1.66 0.00 0.00 0.00 0.00 179.25 178.88 1xwn h ARG 44 N 0.02 0.39 0.80 0.00 3.08 -0.52 -3.39 114.38 114.76 1xwn h ARG 44 Ca -0.14 -0.66 -0.04 0.00 0.07 0.00 0.00 59.98 59.21 1xwn h ARG 44 Cb 1.90 0.25 0.01 0.00 0.08 0.00 0.00 29.97 32.21 1xwn h ARG 44 CO 0.13 1.29 -0.38 -0.09 -1.07 0.00 0.00 179.97 179.85 1xwn h ARG 45 N 0.11 -1.04 0.00 0.04 2.43 0.26 -3.48 114.38 112.70 1xwn h ARG 45 Ca -0.31 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 1xwn h ARG 45 Cb 2.09 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.88 1xwn h ARG 45 CO 0.19 -0.68 0.00 0.41 -1.51 0.00 0.00 179.97 178.38 1xwn n GLY 46 N -1.35 -0.19 1.68 2.80 0.00 -1.22 -5.09 105.19 101.81 1xwn n GLY 46 Ca -0.14 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 -1.41 -0.26 1.61 4.02 -0.96 -4.89 117.16 115.28 1xwn n TYR 47 Ca 0.00 0.25 -0.05 0.00 -0.01 0.00 0.00 57.90 58.09 1xwn n TYR 47 Cb 0.00 0.39 0.06 0.00 -0.02 0.00 0.00 39.34 39.76 1xwn n TYR 47 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1xwn h TYR 48 N 0.00 0.93 -1.98 -0.72 0.05 -1.87 -3.40 116.97 109.99 1xwn h TYR 48 Ca 0.00 0.01 -0.50 0.00 0.05 0.00 0.00 58.73 58.29 1xwn h TYR 48 Cb 0.00 -0.31 -0.02 0.00 1.01 0.00 0.00 36.73 37.41 1xwn h TYR 48 CO 0.00 0.61 1.41 0.54 -1.05 0.00 0.00 178.16 179.67 1xwn s ASN 49 N -5.92 5.16 0.00 3.88 2.20 -1.26 -2.36 114.94 116.64 1xwn s ASN 49 Ca -0.13 0.61 0.00 0.00 -0.94 0.00 0.00 52.86 52.40 1xwn s ASN 49 Cb 0.14 -2.52 0.00 0.00 -2.00 0.00 0.00 41.25 36.87 1xwn s ASN 49 CO 0.78 -2.41 0.00 0.61 -2.94 0.00 0.00 177.10 173.14 1xwn n GLY 50 N 5.73 2.45 0.00 0.45 0.00 -0.86 -4.92 105.19 108.05 1xwn n GLY 50 Ca 0.24 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1xwn n GLY 50 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1xwn n THR 51 N 0.00 0.00 -3.71 2.61 5.66 -0.99 -4.81 114.28 113.03 1xwn n THR 51 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 1xwn n THR 51 Cb 0.00 -1.67 -0.01 0.00 -1.55 0.00 0.00 70.33 67.10 1xwn n THR 51 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1xwn n LYS 52 N -0.86 0.33 -2.83 1.09 2.85 -1.26 -1.84 118.16 115.64 1xwn n LYS 52 Ca 0.00 -1.17 -0.42 0.00 -1.05 0.00 0.00 58.31 55.67 1xwn n LYS 52 Cb 0.00 1.17 -0.04 0.00 -0.65 0.00 0.00 35.03 35.51 1xwn n LYS 52 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1xwn s PHE 53 N -4.41 3.38 -1.40 5.58 0.40 -1.24 -2.28 117.98 118.02 1xwn s PHE 53 Ca 0.12 1.29 0.18 0.00 -0.60 0.00 0.00 56.93 57.92 1xwn s PHE 53 Cb -0.01 -3.09 0.59 0.00 0.51 0.00 0.00 43.02 41.03 1xwn s PHE 53 CO 0.08 -0.33 1.50 -2.39 0.70 0.00 0.00 175.22 174.78 1xwn n HIS 54 N 5.63 1.01 -3.26 0.36 1.44 -1.24 -4.63 115.22 114.52 1xwn n HIS 54 Ca 0.06 -0.55 -0.00 0.00 -2.01 0.00 0.00 57.72 55.22 1xwn n HIS 54 Cb 0.48 -0.09 -0.03 0.00 0.12 0.00 0.00 29.99 30.46 1xwn n HIS 54 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1xwn s ARG 55 N -1.34 0.51 -0.08 -1.40 1.81 -1.25 -4.81 118.95 112.40 1xwn s ARG 55 Ca 0.44 0.94 -0.01 0.00 -1.72 0.00 0.00 55.73 55.37 1xwn s ARG 55 Cb 0.25 0.33 0.03 0.00 -0.45 0.00 0.00 34.95 35.11 1xwn s ARG 55 CO 0.26 -0.57 -0.01 0.42 -0.68 0.00 0.00 175.30 174.72 1xwn s ILE 56 N 2.78 0.44 -0.28 1.52 -1.09 -1.26 -1.03 121.20 122.28 1xwn s ILE 56 Ca 0.16 0.08 -0.06 0.00 -2.23 0.00 0.00 60.65 58.60 1xwn s ILE 56 Cb -0.15 -0.59 0.01 0.00 -1.58 0.00 0.00 42.46 40.16 1xwn s ILE 56 CO -0.19 0.27 0.05 -0.63 -1.23 0.00 0.00 174.94 173.21 1xwn s ILE 57 N 1.94 3.73 0.01 2.92 1.09 -0.63 -4.81 121.20 125.45 1xwn s ILE 57 Ca 0.05 -0.74 -0.34 0.00 -1.10 0.00 0.00 60.65 58.52 1xwn s ILE 57 Cb -0.12 -2.91 -0.13 0.00 -1.06 0.00 0.00 42.46 38.24 1xwn s ILE 57 CO -0.06 0.12 1.74 1.17 -0.10 0.00 0.00 174.94 177.81 1xwn n LYS 58 N 4.82 2.11 -3.37 2.79 0.00 -1.25 -2.49 118.16 120.77 1xwn n LYS 58 Ca -0.15 0.77 -0.18 0.00 0.00 0.00 0.00 58.31 58.75 1xwn n LYS 58 Cb 0.48 -2.57 0.07 0.00 0.00 0.00 0.00 35.03 33.01 1xwn n LYS 58 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1xwn n ASP 59 N 5.17 -5.24 0.00 3.14 -0.08 -1.26 -4.87 116.55 113.41 1xwn n ASP 59 Ca 0.20 -0.74 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 1xwn n ASP 59 Cb 0.28 -4.90 0.00 0.00 2.34 0.00 0.00 41.12 38.84 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 1xwn n PHE 60 N -3.59 0.00 -3.84 -0.67 -0.00 -1.04 -5.01 117.46 103.32 1xwn n PHE 60 Ca -0.13 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.25 1xwn n PHE 60 Cb 0.63 0.00 -0.00 0.00 -0.00 0.00 0.00 39.48 40.11 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xwn s MET 61 N 0.00 1.89 -0.04 -4.13 0.23 -1.18 -3.01 119.30 113.06 1xwn s MET 61 Ca 0.00 -1.12 -0.04 0.00 -1.03 0.00 0.00 55.69 53.51 1xwn s MET 61 Cb 0.00 0.59 0.01 0.00 -1.53 0.00 0.00 34.83 33.90 1xwn s MET 61 CO 0.00 -0.87 0.10 0.96 -2.03 0.00 0.00 175.02 173.18 1xwn s ILE 62 N -3.26 0.00 0.17 3.16 -4.36 -0.91 -1.61 121.20 114.39 1xwn s ILE 62 Ca 0.13 -0.04 0.10 0.00 -0.26 0.00 0.00 60.65 60.58 1xwn s ILE 62 Cb -0.05 -0.16 -0.04 0.00 1.25 0.00 0.00 42.46 43.45 1xwn s ILE 62 CO 0.08 -0.02 -0.22 -1.10 0.24 0.00 0.00 174.94 173.92 1xwn s GLN 63 N -0.02 1.39 0.01 0.37 1.11 -0.20 0.45 119.66 122.76 1xwn s GLN 63 Ca -0.01 -1.44 -0.00 0.00 0.01 0.00 0.00 55.36 53.92 1xwn s GLN 63 Cb -0.01 -1.63 -0.04 0.00 -1.01 0.00 0.00 33.01 30.32 1xwn s GLN 63 CO 0.00 0.35 0.11 0.20 0.01 0.00 0.00 175.29 175.96 1xwn s GLY 64 N -2.55 2.06 -0.07 3.09 0.00 0.64 -3.64 107.32 106.84 1xwn s GLY 64 Ca 0.17 -0.87 0.01 0.00 0.00 0.00 0.00 44.72 44.03 1xwn s GLY 64 CO 0.08 -0.76 -0.08 -0.32 0.00 0.00 0.00 173.10 172.02 1xwn s GLY 65 N -1.91 1.68 -0.42 0.20 0.00 -0.97 -3.37 107.32 102.54 1xwn s GLY 65 Ca 0.25 -0.90 0.08 0.00 0.00 0.00 0.00 44.72 44.16 1xwn s GLY 65 CO 0.17 -0.64 1.25 1.34 0.00 0.00 0.00 173.10 175.22 1xwn n ASP 66 N 2.32 -1.89 -3.77 1.64 2.03 -1.25 -4.33 116.55 111.30 1xwn n ASP 66 Ca -0.18 -2.90 -0.21 0.00 0.52 0.00 0.00 54.79 52.02 1xwn n ASP 66 Cb 0.53 1.24 0.13 0.00 -0.72 0.00 0.00 41.12 42.30 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 -0.24 -0.54 -1.29 -0.67 -0.04 -1.26 -4.24 135.00 126.71 1xwn n PRO 67 Ca 0.01 -1.91 -0.04 0.00 -0.04 0.00 0.00 63.50 61.52 1xwn n PRO 67 Cb 0.80 -0.83 -0.03 0.00 -0.04 0.00 0.00 33.50 33.39 1xwn n PRO 67 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xwn n THR 68 N -3.05 0.03 -2.25 0.52 -2.24 -1.26 -5.00 114.28 101.03 1xwn n THR 68 Ca 0.13 -0.35 -0.40 0.00 -2.27 0.00 0.00 64.05 61.16 1xwn n THR 68 Cb 0.47 0.66 0.01 0.00 -2.10 0.00 0.00 70.33 69.36 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xwn n GLY 69 N -0.07 5.59 1.17 3.38 0.00 -1.26 -4.22 105.19 109.78 1xwn n GLY 69 Ca -0.20 -2.27 -0.04 0.00 0.00 0.00 0.00 46.02 43.51 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 0.96 2.55 -2.55 2.61 -2.24 -1.26 -4.93 114.28 109.41 1xwn n THR 70 Ca 0.56 -2.64 -0.17 0.00 -2.27 0.00 0.00 64.05 59.53 1xwn n THR 70 Cb 0.26 -0.32 0.01 0.00 -2.10 0.00 0.00 70.33 68.18 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 -1.07 -0.29 1.09 3.38 0.00 -1.26 -4.90 105.19 102.14 1xwn n GLY 71 Ca 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1xwn n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwn n ARG 72 N -2.91 0.00 -3.44 1.61 1.74 -1.26 -5.15 116.66 107.25 1xwn n ARG 72 Ca -0.15 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.81 1xwn n ARG 72 Cb 0.62 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 32.04 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1xwn s GLY 73 N -3.09 -0.60 -0.24 -0.13 0.00 -1.26 -5.15 107.32 96.84 1xwn s GLY 73 Ca 0.00 0.62 -0.03 0.00 0.00 0.00 0.00 44.72 45.31 1xwn s GLY 73 CO 0.00 0.26 0.09 -0.32 0.00 0.00 0.00 173.10 173.14 1xwn s GLY 74 N -2.55 0.61 -0.30 0.20 0.00 -1.26 -4.60 107.32 99.42 1xwn s GLY 74 Ca -0.00 -0.92 -0.11 0.00 0.00 0.00 0.00 44.72 43.69 1xwn s GLY 74 CO -0.10 1.77 0.67 0.00 0.00 0.00 0.00 173.10 175.44 1xwn s ALA 75 N 1.97 -2.05 -0.21 3.20 0.00 -1.26 -4.32 121.76 119.09 1xwn s ALA 75 Ca 0.05 2.35 -0.18 0.00 0.00 0.00 0.00 51.96 54.18 1xwn s ALA 75 Cb -0.16 -1.75 -0.14 0.00 0.00 0.00 0.00 23.12 21.07 1xwn s ALA 75 CO -0.22 -0.86 0.01 -1.13 0.00 0.00 0.00 175.76 173.55 1xwn n SER 76 N 5.29 1.87 0.00 0.00 3.41 -1.24 -5.02 113.62 117.94 1xwn n SER 76 Ca -0.13 0.44 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1xwn n SER 76 Cb 0.50 -0.91 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1xwn n SER 76 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwn n ILE 77 N -4.44 0.00 -0.10 -1.33 0.13 -1.26 -4.83 119.36 107.54 1xwn n ILE 77 Ca -0.31 0.00 -0.11 0.00 -1.10 0.00 0.00 62.75 61.23 1xwn n ILE 77 Cb 0.63 0.00 -0.13 0.00 -0.84 0.00 0.00 39.64 39.30 1xwn n ILE 77 CO 0.00 0.00 0.00 -1.22 2.80 0.00 0.00 176.55 178.13 1xwn n TYR 78 N -1.74 0.00 0.00 9.51 4.01 -1.26 -5.09 117.16 122.59 1xwn n TYR 78 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1xwn n TYR 78 Cb 0.00 -0.89 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 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 2.03 -0.95 1.06 2.72 0.00 -1.26 -5.00 105.19 103.79 1xwn n GLY 79 Ca -0.33 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 44.73 1xwn n GLY 79 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1xwn n LYS 80 N -0.15 2.46 -3.15 1.61 2.85 -1.26 -3.61 118.16 116.90 1xwn n LYS 80 Ca 0.00 -1.97 0.05 0.00 -1.05 0.00 0.00 58.31 55.35 1xwn n LYS 80 Cb 0.00 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.86 1xwn n LYS 80 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1xwn s GLN 81 N -1.43 0.17 0.22 -1.58 -2.07 -1.23 -4.51 119.66 109.22 1xwn s GLN 81 Ca 0.36 0.30 0.07 0.00 -1.82 0.00 0.00 55.36 54.27 1xwn s GLN 81 Cb 0.20 0.17 -0.05 0.00 -1.09 0.00 0.00 33.01 32.24 1xwn s GLN 81 CO 0.22 -0.18 -0.12 -0.59 -1.32 0.00 0.00 175.29 173.30 1xwn s PHE 82 N 2.94 1.72 1.22 9.60 -0.71 -1.25 -4.73 117.98 126.78 1xwn s PHE 82 Ca -0.02 -0.62 -0.20 0.00 -1.04 0.00 0.00 56.93 55.04 1xwn s PHE 82 Cb -0.10 -0.84 0.30 0.00 -1.21 0.00 0.00 43.02 41.17 1xwn s PHE 82 CO -0.11 0.31 1.14 -1.21 -1.34 0.00 0.00 175.22 174.02 1xwn s GLU 83 N -3.67 -1.38 0.57 1.99 2.02 -1.26 -2.93 118.70 114.04 1xwn s GLU 83 Ca 0.24 -0.25 0.09 0.00 0.02 0.00 0.00 54.97 55.07 1xwn s GLU 83 Cb 0.00 -1.59 0.08 0.00 0.10 0.00 0.00 34.13 32.72 1xwn s GLU 83 CO 0.07 -3.78 0.78 -0.51 0.02 0.00 0.00 175.26 171.85 1xwn s ASP 84 N -4.12 5.11 -0.25 -0.19 1.11 -1.26 -4.85 116.67 112.22 1xwn s ASP 84 Ca 0.73 -0.76 -0.04 0.00 0.18 0.00 0.00 52.55 52.66 1xwn s ASP 84 Cb -0.07 0.16 0.08 0.00 1.07 0.00 0.00 42.92 44.16 1xwn s ASP 84 CO 0.55 -1.32 0.11 -1.61 1.18 0.00 0.00 175.17 174.08 1xwn s GLU 85 N -4.67 0.21 -0.20 8.23 2.02 -1.26 -5.10 118.70 117.92 1xwn s GLU 85 Ca 0.61 -0.41 -0.14 0.00 0.02 0.00 0.00 54.97 55.06 1xwn s GLU 85 Cb -0.06 -1.49 0.06 0.00 0.10 0.00 0.00 34.13 32.73 1xwn s GLU 85 CO 0.39 -0.88 0.50 -1.17 0.02 0.00 0.00 175.26 174.12 1xwn s LEU 86 N 2.07 -0.18 0.19 1.80 2.96 -1.26 -4.63 118.68 119.62 1xwn s LEU 86 Ca 0.06 1.06 0.00 0.00 -0.22 0.00 0.00 54.13 55.03 1xwn s LEU 86 Cb -0.16 1.71 0.00 0.00 0.50 0.00 0.00 46.19 48.24 1xwn s LEU 86 CO -0.25 -0.19 0.00 1.57 -1.32 0.00 0.00 176.35 176.15 1xwn n HIS 87 N 3.64 -3.20 -0.44 5.38 -0.00 -1.26 -5.16 115.22 114.18 1xwn n HIS 87 Ca -0.18 0.64 -0.28 0.00 0.46 0.00 0.00 57.72 58.35 1xwn n HIS 87 Cb 0.56 1.86 0.27 0.00 -0.12 0.00 0.00 29.99 32.56 1xwn n HIS 87 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1xwn s PRO 88 N -1.87 -1.54 -0.52 1.57 0.04 -1.26 -4.91 135.00 126.52 1xwn s PRO 88 Ca 0.00 0.72 -0.28 0.00 0.04 0.00 0.00 61.00 61.47 1xwn s PRO 88 Cb 0.00 -1.49 0.02 0.00 0.04 0.00 0.00 34.50 33.07 1xwn s PRO 88 CO 0.00 -4.10 1.26 0.16 0.04 0.00 0.00 177.00 174.36 1xwn s ASP 89 N -2.51 6.41 0.30 6.66 -4.77 -1.26 -5.01 116.67 116.48 1xwn s ASP 89 Ca 0.69 0.36 0.08 0.00 -3.30 0.00 0.00 52.55 50.38 1xwn s ASP 89 Cb -0.24 -2.55 -0.04 0.00 -1.09 0.00 0.00 42.92 39.00 1xwn s ASP 89 CO 0.65 -1.46 0.14 -0.76 0.70 0.00 0.00 175.17 174.44 1xwn s LEU 90 N 5.14 3.45 0.14 2.11 2.01 -1.26 -5.14 118.68 125.13 1xwn s LEU 90 Ca 0.49 -0.55 0.10 0.00 0.01 0.00 0.00 54.13 54.19 1xwn s LEU 90 Cb -0.09 -1.98 -0.04 0.00 0.01 0.00 0.00 46.19 44.09 1xwn s LEU 90 CO 0.28 -0.16 -0.22 -0.75 1.01 0.00 0.00 176.35 176.51 1xwn s LYS 91 N -3.83 1.59 -0.33 1.70 2.20 -1.26 -5.11 119.74 114.71 1xwn s LYS 91 Ca 0.35 -1.31 0.03 0.00 -0.36 0.00 0.00 55.97 54.68 1xwn s LYS 91 Cb -0.06 -1.99 0.16 0.00 -1.51 0.00 0.00 37.83 34.44 1xwn s LYS 91 CO 0.23 0.45 0.42 0.12 -0.36 0.00 0.00 175.35 176.21 1xwn s PHE 92 N -1.21 -0.84 0.00 4.03 2.19 -1.26 -4.96 117.98 115.93 1xwn s PHE 92 Ca 0.17 -0.06 0.00 0.00 0.33 0.00 0.00 56.93 57.37 1xwn s PHE 92 Cb -0.10 -0.20 0.00 0.00 -1.31 0.00 0.00 43.02 41.41 1xwn s PHE 92 CO 0.09 -1.00 0.00 -2.37 1.83 0.00 0.00 175.22 173.77 1xwn n THR 93 N 4.92 0.00 -1.67 0.12 5.66 -1.26 -4.28 114.28 117.77 1xwn n THR 93 Ca 0.05 0.00 -0.44 0.00 -3.05 0.00 0.00 64.05 60.61 1xwn n THR 93 Cb 0.49 0.00 -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 -0.80 1.73 3.46 1.09 0.00 -1.26 -3.43 105.19 105.98 1xwn n GLY 94 Ca 0.00 0.83 -0.47 0.00 0.00 0.00 0.00 46.02 46.38 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 7.18 0.83 0.00 4.61 0.00 -1.26 -3.96 120.51 127.91 1xwn n ALA 95 Ca 0.21 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1xwn n ALA 95 Cb 0.37 -2.59 0.00 0.00 0.00 0.00 0.00 19.45 17.23 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 6.50 0.65 3.05 0.00 0.00 0.16 -4.91 105.19 110.63 1xwn n GLY 96 Ca 0.46 -0.70 -0.20 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.27 0.85 -0.42 -0.61 -1.09 -1.13 -1.50 121.20 117.03 1xwn s ILE 97 Ca 0.00 -0.45 -0.10 0.00 -2.23 0.00 0.00 60.65 57.87 1xwn s ILE 97 Cb 0.00 -0.71 0.08 0.00 -1.58 0.00 0.00 42.46 40.25 1xwn s ILE 97 CO 0.00 0.24 0.27 -0.76 -1.23 0.00 0.00 174.94 173.46 1xwn s LEU 98 N -0.21 5.18 -0.00 2.97 1.43 -0.66 -2.15 118.68 125.23 1xwn s LEU 98 Ca 0.03 -1.49 0.02 0.00 -1.03 0.00 0.00 54.13 51.67 1xwn s LEU 98 Cb -0.05 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 1xwn s LEU 98 CO -0.00 -0.54 -0.04 0.00 0.23 0.00 0.00 176.35 175.99 1xwn s ALA 99 N 1.44 3.10 -0.03 4.21 0.00 -1.03 0.18 121.76 129.64 1xwn s ALA 99 Ca 0.03 -0.99 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 1xwn s ALA 99 Cb -0.23 -1.21 -0.03 0.00 0.00 0.00 0.00 23.12 21.66 1xwn s ALA 99 CO 0.02 0.62 1.01 -1.64 0.00 0.00 0.00 175.76 175.77 1xwn s MET 100 N -1.42 4.51 0.77 0.00 -1.94 0.19 -2.85 119.30 118.56 1xwn s MET 100 Ca 0.18 1.44 -0.12 0.00 -1.71 0.00 0.00 55.69 55.48 1xwn s MET 100 Cb -0.11 -3.48 0.06 0.00 2.01 0.00 0.00 34.83 33.31 1xwn s MET 100 CO 0.08 -0.15 1.14 0.00 -0.01 0.00 0.00 175.02 176.09 1xwn s ALA 101 N 1.33 2.70 -0.29 3.03 0.00 -1.21 -1.26 121.76 126.05 1xwn s ALA 101 Ca 0.52 -0.52 -0.08 0.00 0.00 0.00 0.00 51.96 51.88 1xwn s ALA 101 Cb -0.21 -2.99 0.14 0.00 0.00 0.00 0.00 23.12 20.06 1xwn s ALA 101 CO 0.25 -1.50 0.62 0.54 0.00 0.00 0.00 175.76 175.67 1xwn s ASN 102 N -4.45 -1.15 0.07 0.00 4.22 -1.26 -4.80 114.94 107.56 1xwn s ASN 102 Ca 0.61 1.37 -0.15 0.00 -2.14 0.00 0.00 52.86 52.55 1xwn s ASN 102 Cb -0.11 2.22 -0.24 0.00 1.28 0.00 0.00 41.25 44.39 1xwn s ASN 102 CO 0.50 -0.23 1.17 0.00 -2.04 0.00 0.00 177.10 176.50 1xwn h ALA 103 N 8.01 0.10 -3.00 3.54 0.00 -1.97 -3.48 119.26 122.46 1xwn h ALA 103 Ca -0.19 -0.70 -0.01 0.00 0.00 0.00 0.00 54.91 54.00 1xwn h ALA 103 Cb 1.12 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.86 1xwn h ALA 103 CO 0.14 0.66 0.21 0.20 0.00 0.00 0.00 179.25 180.46 1xwn s GLY 104 N -4.31 -0.58 0.03 0.00 0.00 -1.19 -5.07 107.32 96.21 1xwn s GLY 104 Ca -0.10 0.43 -0.35 0.00 0.00 0.00 0.00 44.72 44.70 1xwn s GLY 104 CO 0.92 0.14 1.67 -1.05 0.00 0.00 0.00 173.10 174.77 1xwn n PRO 105 N -0.38 1.97 -2.52 2.90 -0.02 -1.26 -0.94 135.00 134.75 1xwn n PRO 105 Ca -0.16 0.72 -0.20 0.00 -2.02 0.00 0.00 63.50 61.84 1xwn n PRO 105 Cb 0.65 -2.49 -0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1xwn n PRO 105 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xwn n ASP 106 N 4.58 -5.64 -3.36 2.55 -0.08 -1.25 -4.94 116.55 108.41 1xwn n ASP 106 Ca 0.20 -0.04 -0.24 0.00 -1.51 0.00 0.00 54.79 53.19 1xwn n ASP 106 Cb 0.27 -4.68 -0.09 0.00 2.34 0.00 0.00 41.12 38.95 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1xwn s THR 107 N -3.01 0.08 0.32 5.18 2.01 -0.11 -3.86 115.64 116.25 1xwn s THR 107 Ca 0.06 -2.01 0.07 0.00 0.31 0.00 0.00 61.69 60.11 1xwn s THR 107 Cb -0.03 -1.03 -0.06 0.00 0.01 0.00 0.00 72.50 71.39 1xwn s THR 107 CO 0.07 -0.98 -0.05 0.20 -0.69 0.00 0.00 174.62 173.17 1xwn s ASN 108 N 0.61 3.12 0.00 3.53 0.01 -1.23 -3.16 114.94 117.82 1xwn s ASN 108 Ca 0.26 -1.23 0.00 0.00 -0.71 0.00 0.00 52.86 51.18 1xwn s ASN 108 Cb -0.07 -0.24 0.00 0.00 0.41 0.00 0.00 41.25 41.35 1xwn s ASN 108 CO -0.10 -0.34 0.00 0.61 -1.51 0.00 0.00 177.10 175.76 1xwn n GLY 109 N -0.69 1.88 2.72 0.66 0.00 -1.26 -3.52 105.19 104.98 1xwn n GLY 109 Ca -0.05 -0.21 -0.03 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.24 -4.81 1.61 7.64 -1.26 -4.91 113.62 111.65 1xwn n SER 110 Ca 0.00 -2.27 -0.27 0.00 1.01 0.00 0.00 58.87 57.34 1xwn n SER 110 Cb 0.00 0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 1xwn n SER 110 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1xwn s GLN 111 N -1.49 2.95 0.12 1.43 0.74 -1.26 -3.85 119.66 118.31 1xwn s GLN 111 Ca 0.19 -0.82 -0.18 0.00 0.05 0.00 0.00 55.36 54.60 1xwn s GLN 111 Cb 0.40 -2.69 0.04 0.00 1.10 0.00 0.00 33.01 31.87 1xwn s GLN 111 CO -0.07 0.50 0.46 -0.59 -0.55 0.00 0.00 175.29 175.04 1xwn s PHE 112 N -1.70 -0.31 -0.00 1.67 -0.71 -1.22 -3.34 117.98 112.38 1xwn s PHE 112 Ca 0.31 0.06 0.01 0.00 -1.04 0.00 0.00 56.93 56.27 1xwn s PHE 112 Cb -0.10 0.34 -0.00 0.00 -1.21 0.00 0.00 43.02 42.04 1xwn s PHE 112 CO 0.24 -0.73 -0.02 -0.59 -1.34 0.00 0.00 175.22 172.78 1xwn s PHE 113 N -3.61 0.20 -0.28 3.49 -0.71 -1.13 -0.26 117.98 115.66 1xwn s PHE 113 Ca 0.01 -0.03 -0.01 0.00 -1.04 0.00 0.00 56.93 55.86 1xwn s PHE 113 Cb 0.01 -0.13 0.05 0.00 -1.21 0.00 0.00 43.02 41.73 1xwn s PHE 113 CO -0.11 -0.01 -0.03 0.08 -1.34 0.00 0.00 175.22 173.81 1xwn s VAL 114 N -0.01 2.85 -0.38 -2.49 1.01 0.17 -2.47 120.40 119.08 1xwn s VAL 114 Ca 0.00 -1.35 -0.29 0.00 0.00 0.00 0.00 61.98 60.34 1xwn s VAL 114 Cb -0.01 -2.61 0.02 0.00 0.00 0.00 0.00 36.38 33.78 1xwn s VAL 114 CO -0.00 -0.04 1.11 0.42 0.00 0.00 0.00 175.10 176.59 1xwn s THR 115 N 1.24 4.36 -0.60 3.92 -4.23 -0.92 -2.15 115.64 117.27 1xwn s THR 115 Ca -0.05 1.50 0.25 0.00 -1.18 0.00 0.00 61.69 62.21 1xwn s THR 115 Cb -0.19 -4.48 0.19 0.00 1.34 0.00 0.00 72.50 69.35 1xwn s THR 115 CO -0.02 -0.70 1.52 0.17 -0.54 0.00 0.00 174.62 175.05 1xwn h LEU 116 N 10.61 0.00 -8.88 4.79 8.10 -1.88 0.46 115.31 128.51 1xwn h LEU 116 Ca -0.22 -0.07 -0.41 0.00 0.11 0.00 0.00 57.88 57.29 1xwn h LEU 116 Cb 1.06 0.00 -0.14 0.00 -0.44 0.00 0.00 40.66 41.14 1xwn h LEU 116 CO 1.07 0.04 -0.70 0.00 -4.11 0.00 0.00 178.44 174.74 1xwn s ALA 117 N -3.17 1.89 0.17 0.17 0.00 -1.17 -4.24 121.76 115.42 1xwn s ALA 117 Ca 0.07 -1.70 -0.33 0.00 0.00 0.00 0.00 51.96 50.00 1xwn s ALA 117 Cb 0.11 0.16 -0.14 0.00 0.00 0.00 0.00 23.12 23.25 1xwn s ALA 117 CO 0.67 -0.09 1.48 -2.30 0.00 0.00 0.00 175.76 175.52 1xwn n PRO 118 N -0.39 1.93 -3.50 0.00 -0.02 -1.22 -4.69 135.00 127.10 1xwn n PRO 118 Ca -0.07 0.69 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 1xwn n PRO 118 Cb 0.62 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.57 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 0.53 -0.24 -0.26 3.45 -4.23 -1.26 -5.01 115.64 108.63 1xwn s THR 119 Ca 0.76 -0.38 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 1xwn s THR 119 Cb -0.72 -0.81 -0.16 0.00 1.34 0.00 0.00 72.50 72.15 1xwn s THR 119 CO 0.43 -0.41 -0.23 0.00 -0.54 0.00 0.00 174.62 173.86 1xwn n GLN 120 N 5.29 0.63 0.09 3.99 3.00 -1.26 -4.06 117.38 125.06 1xwn n GLN 120 Ca -0.05 0.20 0.09 0.00 -0.01 0.00 0.00 57.00 57.24 1xwn n GLN 120 Cb 0.47 -1.52 0.56 0.00 0.00 0.00 0.00 30.24 29.74 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 1xwn h TRP 121 N -0.36 0.23 0.00 1.08 0.09 -1.94 -0.23 115.95 114.82 1xwn h TRP 121 Ca -0.61 0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.38 1xwn h TRP 121 Cb 1.80 -0.08 0.00 0.00 0.08 0.00 0.00 29.16 30.96 1xwn h TRP 121 CO -0.01 0.13 0.00 -0.07 0.09 0.00 0.00 178.44 178.58 1xwn h LEU 122 N 0.23 0.00 -8.15 0.11 3.38 -1.97 -3.43 115.31 105.48 1xwn h LEU 122 Ca 0.13 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.92 1xwn h LEU 122 Cb 0.22 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 1xwn h LEU 122 CO -0.02 0.00 0.52 -0.62 0.09 0.00 0.00 178.44 178.41 1xwn s ASP 123 N -5.53 4.45 0.00 -0.43 2.15 -0.10 -1.90 116.67 115.31 1xwn s ASP 123 Ca 0.08 -0.85 0.00 0.00 0.43 0.00 0.00 52.55 52.21 1xwn s ASP 123 Cb 0.08 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1xwn s ASP 123 CO 0.63 -3.54 0.00 0.61 -0.17 0.00 0.00 175.17 172.71 1xwn n GLY 124 N 6.41 2.00 0.07 2.66 0.00 -1.26 -5.00 105.19 110.05 1xwn n GLY 124 Ca 0.43 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 46.12 1xwn n GLY 124 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1xwn h LYS 125 N 0.00 -0.05 -6.46 1.61 3.64 -1.66 -3.44 116.57 110.21 1xwn h LYS 125 Ca 0.00 0.00 -0.67 0.00 -1.27 0.00 0.00 60.65 58.71 1xwn h LYS 125 Cb 0.00 0.01 -0.17 0.00 -0.41 0.00 0.00 32.23 31.66 1xwn h LYS 125 CO 0.00 0.28 -0.73 -1.01 -2.27 0.00 0.00 179.45 175.72 1xwn s HIS 126 N -4.87 2.78 0.82 1.91 3.76 -1.25 -4.81 115.29 113.61 1xwn s HIS 126 Ca -0.15 -0.13 -0.12 0.00 -0.15 0.00 0.00 55.06 54.52 1xwn s HIS 126 Cb 0.03 -1.50 0.08 0.00 1.11 0.00 0.00 32.58 32.31 1xwn s HIS 126 CO 0.66 0.39 1.18 -0.08 -0.85 0.00 0.00 174.74 176.04 1xwn s THR 127 N -1.12 2.00 0.56 1.30 -1.32 -0.39 -4.89 115.64 111.79 1xwn s THR 127 Ca 0.20 0.00 0.09 0.00 -1.21 0.00 0.00 61.69 60.76 1xwn s THR 127 Cb -0.11 -2.99 0.10 0.00 -1.51 0.00 0.00 72.50 67.98 1xwn s THR 127 CO 0.11 0.00 0.78 0.00 -2.21 0.00 0.00 174.62 173.30 1xwn n ILE 128 N -3.34 0.00 0.00 5.08 3.06 -1.26 0.55 119.36 123.45 1xwn n ILE 128 Ca 0.08 -1.85 0.00 0.00 -2.50 0.00 0.00 62.75 58.48 1xwn n ILE 128 Cb 0.61 -0.55 0.00 0.00 0.54 0.00 0.00 39.64 40.24 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 -2.24 0.00 -3.97 9.51 1.16 -1.09 -3.52 117.46 117.32 1xwn n PHE 129 Ca 0.16 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.61 1xwn n PHE 129 Cb 0.58 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.43 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 -0.80 1.82 3.05 4.97 0.00 0.13 -2.70 105.19 111.66 1xwn n GLY 130 Ca 0.00 -1.51 -0.14 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.59 0.52 -0.55 1.61 3.52 0.17 -1.65 118.95 119.99 1xwn s ARG 131 Ca 0.25 -0.66 -0.18 0.00 -0.13 0.00 0.00 55.73 55.00 1xwn s ARG 131 Cb -0.02 -0.34 0.09 0.00 -1.56 0.00 0.00 34.95 33.12 1xwn s ARG 131 CO 0.18 0.07 0.62 0.08 -0.81 0.00 0.00 175.30 175.44 1xwn s VAL 132 N -1.14 4.93 -0.09 7.11 1.01 -0.56 -0.86 120.40 130.80 1xwn s VAL 132 Ca -0.07 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 60.93 1xwn s VAL 132 Cb -0.09 -4.38 -0.02 0.00 0.00 0.00 0.00 36.38 31.90 1xwn s VAL 132 CO 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 175.10 174.05 1xwn s GLN 134 N -1.78 2.83 0.00 0.00 0.74 -1.26 -4.60 119.66 115.60 1xwn s GLN 134 Ca -0.09 -3.13 0.00 0.00 0.05 0.00 0.00 55.36 52.19 1xwn s GLN 134 Cb 0.01 -3.72 0.00 0.00 1.10 0.00 0.00 33.01 30.40 1xwn s GLN 134 CO 0.13 -1.24 0.00 0.41 -0.55 0.00 0.00 175.29 174.04 1xwn n GLY 135 N 2.47 0.00 0.46 2.59 0.00 -1.26 -0.87 105.19 108.59 1xwn n GLY 135 Ca 0.17 0.00 0.30 0.00 0.00 0.00 0.00 46.02 46.50 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 0.38 -0.02 -0.61 6.09 -1.82 0.44 117.51 121.97 1xwn h ILE 136 Ca 0.00 -0.07 0.00 0.00 -1.37 0.00 0.00 64.86 63.42 1xwn h ILE 136 Cb 0.00 0.15 -0.00 0.00 0.47 0.00 0.00 36.82 37.44 1xwn h ILE 136 CO 0.00 0.04 0.04 1.23 -3.07 0.00 0.00 178.15 176.39 1xwn h GLY 137 N 0.21 0.00 0.43 8.18 0.00 -1.94 0.01 103.07 109.96 1xwn h GLY 137 Ca 0.66 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 47.62 1xwn h GLY 137 CO -0.25 0.00 -2.14 -0.13 0.00 0.00 0.00 176.54 174.02 1xwn n MET 138 N -3.36 0.72 0.24 4.80 0.00 0.15 -3.74 117.12 115.93 1xwn n MET 138 Ca -0.03 0.22 -0.15 0.00 -0.00 0.00 0.00 57.70 57.74 1xwn n MET 138 Cb 0.12 -1.65 -0.08 0.00 0.00 0.00 0.00 33.22 31.61 1xwn n MET 138 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1xwn h VAL 139 N 0.05 0.56 -0.39 1.12 2.07 -0.95 -1.59 116.25 117.10 1xwn h VAL 139 Ca -0.47 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1xwn h VAL 139 Cb 2.00 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 32.30 1xwn h VAL 139 CO 0.03 0.00 0.26 -0.55 0.02 0.00 0.00 177.57 177.33 1xwn h ASN 140 N -0.57 0.36 -0.55 0.57 7.08 -1.24 -1.60 115.58 119.64 1xwn h ASN 140 Ca -0.05 -0.01 -0.08 0.00 -3.08 0.00 0.00 56.30 53.09 1xwn h ASN 140 Cb 0.45 -0.09 -0.02 0.00 -2.08 0.00 0.00 38.32 36.58 1xwn h ASN 140 CO 0.07 0.25 0.07 -0.09 -2.08 0.00 0.00 177.43 175.65 1xwn h ARG 141 N 0.43 0.96 -0.71 4.14 2.43 -1.53 -2.70 114.38 117.40 1xwn h ARG 141 Ca 0.16 -0.25 0.07 0.00 -0.81 0.00 0.00 59.98 59.14 1xwn h ARG 141 Cb 0.10 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 1xwn h ARG 141 CO -0.04 0.91 0.47 0.28 -1.51 0.00 0.00 179.97 180.08 1xwn h VAL 142 N 0.90 1.01 -0.16 0.20 2.07 -0.31 -1.42 116.25 118.55 1xwn h VAL 142 Ca 0.18 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.32 1xwn h VAL 142 Cb 0.44 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.42 1xwn h VAL 142 CO 0.01 0.13 -0.47 1.23 0.02 0.00 0.00 177.57 178.49 1xwn h GLY 143 N 0.72 0.45 0.87 2.17 0.00 -1.45 -3.12 103.07 102.71 1xwn h GLY 143 Ca 0.31 -0.48 0.04 0.00 0.00 0.00 0.00 47.33 47.20 1xwn h GLY 143 CO -0.10 0.43 0.60 -0.33 0.00 0.00 0.00 176.54 177.14 1xwn h MET 144 N 0.33 1.13 -6.23 4.80 2.86 -1.14 -3.34 114.93 113.36 1xwn h MET 144 Ca 0.02 -0.07 -0.64 0.00 -2.06 0.00 0.00 59.70 56.96 1xwn h MET 144 Cb 0.96 -0.26 0.01 0.00 0.06 0.00 0.00 31.60 32.37 1xwn h MET 144 CO 0.08 0.75 1.11 0.28 1.06 0.00 0.00 176.91 180.19 1xwn n VAL 145 N -4.50 0.52 -1.67 -2.22 0.31 -1.14 -4.86 118.33 104.77 1xwn n VAL 145 Ca 0.12 -0.12 -0.43 0.00 -0.01 0.00 0.00 64.34 63.90 1xwn n VAL 145 Cb 0.10 -1.80 -0.03 0.00 -0.91 0.00 0.00 33.84 31.20 1xwn n VAL 145 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1xwn n GLU 146 N 6.68 2.77 -2.50 5.55 4.07 -1.26 -4.88 120.64 131.07 1xwn n GLU 146 Ca 0.25 1.01 -0.23 0.00 -0.06 0.00 0.00 57.16 58.12 1xwn n GLU 146 Cb 0.27 -2.94 0.04 0.00 -0.06 0.00 0.00 31.44 28.76 1xwn n GLU 146 CO 0.00 0.00 0.00 -0.08 -0.06 0.00 0.00 177.13 176.99 1xwn s THR 147 N 3.85 2.81 0.00 6.31 -1.32 -1.26 -3.89 115.64 122.15 1xwn s THR 147 Ca 0.87 -0.43 -0.00 0.00 -1.21 0.00 0.00 61.69 60.92 1xwn s THR 147 Cb -0.48 -3.11 0.00 0.00 -1.51 0.00 0.00 72.50 67.40 1xwn s THR 147 CO 0.42 -0.10 0.01 -3.20 -2.21 0.00 0.00 174.62 169.54 1xwn n ASN 148 N -2.53 0.00 -1.68 8.08 2.85 -0.40 -4.90 115.26 116.68 1xwn n ASN 148 Ca 0.07 -1.00 -0.13 0.00 -0.11 0.00 0.00 54.58 53.40 1xwn n ASN 148 Cb 0.59 -0.00 0.09 0.00 1.24 0.00 0.00 39.78 41.70 1xwn n ASN 148 CO 0.00 0.00 0.00 -0.24 -2.11 0.00 0.00 177.26 174.91 1xwn n SER 149 N -3.00 3.79 -1.19 1.20 2.88 -1.26 -3.80 113.62 112.23 1xwn n SER 149 Ca 0.00 -2.88 -0.04 0.00 -1.33 0.00 0.00 58.87 54.62 1xwn n SER 149 Cb 0.00 -0.72 -0.04 0.00 -0.75 0.00 0.00 64.21 62.70 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 -0.29 0.05 -3.60 -1.46 1.13 -1.26 -5.02 117.38 106.94 1xwn n GLN 150 Ca 0.32 -1.29 -0.22 0.00 -1.94 0.00 0.00 57.00 53.87 1xwn n GLN 150 Cb 1.05 0.35 0.05 0.00 0.11 0.00 0.00 30.24 31.80 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 0.08 -3.00 -3.99 1.08 9.92 -1.25 -5.01 116.55 114.37 1xwn n ASP 151 Ca -0.19 -0.83 -0.21 0.00 -0.53 0.00 0.00 54.79 53.04 1xwn n ASP 151 Cb 0.82 -4.21 -0.16 0.00 -0.64 0.00 0.00 41.12 36.94 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.60 0.13 0.00 0.00 177.20 176.73 1xwn s ARG 152 N -5.65 1.01 -0.13 -1.24 3.52 -1.26 -4.23 118.95 110.98 1xwn s ARG 152 Ca 0.18 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.19 1xwn s ARG 152 Cb -0.04 -0.94 -0.05 0.00 -1.56 0.00 0.00 34.95 32.36 1xwn s ARG 152 CO 0.80 0.08 1.76 -1.25 -0.81 0.00 0.00 175.30 175.88 1xwn s PRO 153 N 0.32 3.89 0.25 5.12 0.04 -1.26 -1.27 135.00 142.08 1xwn s PRO 153 Ca -0.05 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.01 1xwn s PRO 153 Cb -0.10 -4.08 0.32 0.00 0.04 0.00 0.00 34.50 30.68 1xwn s PRO 153 CO 0.01 -1.20 1.67 0.28 0.04 0.00 0.00 177.00 177.79 1xwn h VAL 154 N 6.01 1.28 -2.20 -0.36 2.07 -1.91 -3.45 116.25 117.70 1xwn h VAL 154 Ca -0.39 -1.38 0.00 0.00 0.82 0.00 0.00 66.70 65.75 1xwn h VAL 154 Cb 1.18 1.40 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 1xwn h VAL 154 CO 0.97 0.44 0.00 -0.67 0.02 0.00 0.00 177.57 178.33 1xwn n ASP 155 N -4.09 0.00 -4.27 0.57 -0.08 -1.26 -5.03 116.55 102.39 1xwn n ASP 155 Ca -0.01 -0.93 -0.42 0.00 -1.51 0.00 0.00 54.79 51.92 1xwn n ASP 155 Cb 0.44 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.83 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 -1.00 5.85 -0.23 1.67 1.11 -1.26 -5.03 116.67 117.78 1xwn s ASP 156 Ca 0.00 -1.73 -0.01 0.00 0.18 0.00 0.00 52.55 50.99 1xwn s ASP 156 Cb 0.00 -2.07 0.07 0.00 1.07 0.00 0.00 42.92 41.98 1xwn s ASP 156 CO 0.00 -0.69 0.01 -0.69 1.18 0.00 0.00 175.17 174.98 1xwn s VAL 157 N 1.46 1.00 0.38 -1.27 1.01 -1.26 -4.46 120.40 117.27 1xwn s VAL 157 Ca 0.04 -0.98 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 1xwn s VAL 157 Cb -0.26 -1.46 0.04 0.00 0.00 0.00 0.00 36.38 34.70 1xwn s VAL 157 CO 0.02 -0.25 0.67 2.29 0.00 0.00 0.00 175.10 177.83 1xwn n LYS 158 N 4.86 0.96 -4.43 2.72 0.00 -1.26 -3.63 118.16 117.37 1xwn n LYS 158 Ca -0.09 -2.54 -0.32 0.00 -0.00 0.00 0.00 58.31 55.37 1xwn n LYS 158 Cb 0.45 2.80 -0.10 0.00 -0.00 0.00 0.00 35.03 38.18 1xwn n LYS 158 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1xwn s ILE 159 N -2.42 3.55 0.00 0.58 1.01 -0.76 0.53 121.20 123.68 1xwn s ILE 159 Ca 0.22 -0.89 0.00 0.00 0.00 0.00 0.00 60.65 59.98 1xwn s ILE 159 Cb -0.03 -2.56 0.00 0.00 0.01 0.00 0.00 42.46 39.88 1xwn s ILE 159 CO 0.16 0.34 0.00 2.30 0.00 0.00 0.00 174.94 177.74 1xwn n ILE 160 N 1.40 0.00 -3.64 2.92 -0.00 -1.17 -2.03 119.36 116.84 1xwn n ILE 160 Ca -0.15 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.45 1xwn n ILE 160 Cb 0.52 -0.69 -0.07 0.00 -0.00 0.00 0.00 39.64 39.40 1xwn n ILE 160 CO 0.00 0.00 0.00 -1.59 -0.00 0.00 0.00 176.55 174.96 1xwn s LYS 161 N -1.92 0.85 -0.11 6.28 0.00 -0.99 -4.59 119.74 119.27 1xwn s LYS 161 Ca 0.00 0.07 -0.04 0.00 0.00 0.00 0.00 55.97 56.00 1xwn s LYS 161 Cb 0.00 0.39 0.06 0.00 0.00 0.00 0.00 37.83 38.28 1xwn s LYS 161 CO 0.00 -0.25 0.22 0.00 0.00 0.00 0.00 175.35 175.32 1xwn s ALA 162 N -1.18 -0.40 0.04 0.59 0.00 -1.26 -1.03 121.76 118.52 1xwn s ALA 162 Ca -0.12 0.80 -0.07 0.00 0.00 0.00 0.00 51.96 52.57 1xwn s ALA 162 Cb -0.03 -0.88 -0.01 0.00 0.00 0.00 0.00 23.12 22.20 1xwn s ALA 162 CO 0.07 -0.55 0.14 1.52 0.00 0.00 0.00 175.76 176.94 1xwn s TYR 163 N 2.20 0.15 0.77 0.00 -0.85 -1.09 -4.41 117.35 114.13 1xwn s TYR 163 Ca 0.00 -0.44 -0.12 0.00 -0.52 0.00 0.00 57.07 55.99 1xwn s TYR 163 Cb -0.12 -0.10 0.06 0.00 0.38 0.00 0.00 41.96 42.18 1xwn s TYR 163 CO -0.07 -0.40 1.15 -1.25 -1.52 0.00 0.00 175.55 173.45 1xwn s PRO 164 N -2.73 2.26 0.03 -3.49 0.04 -1.26 -0.72 135.00 129.14 1xwn s PRO 164 Ca -0.04 0.21 -0.04 0.00 0.04 0.00 0.00 61.00 61.18 1xwn s PRO 164 Cb -0.00 -1.98 -0.02 0.00 0.04 0.00 0.00 34.50 32.54 1xwn s PRO 164 CO -0.05 -1.40 0.05 0.45 0.04 0.00 0.00 177.00 176.09 1xwn s SER 165 N -4.51 0.23 0.00 6.66 0.15 -1.16 -4.64 113.70 110.43 1xwn s SER 165 Ca 0.61 -0.57 0.28 0.00 0.70 0.00 0.00 55.95 56.96 1xwn s SER 165 Cb -0.11 0.19 0.95 0.00 -1.71 0.00 0.00 66.02 65.34 1xwn s SER 165 CO 0.50 -0.47 1.69 0.61 1.20 0.00 0.00 173.24 176.77