#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwn n ALA 2 N 0.00 -0.68 -2.70 3.04 0.00 -1.26 -4.86 120.51 114.04 1xwn n ALA 2 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 53.44 53.54 1xwn n ALA 2 Cb 0.00 -1.89 0.04 0.00 0.00 0.00 0.00 19.45 17.60 1xwn n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwn n ALA 3 N -2.03 -2.92 -3.55 0.00 0.00 -1.26 -5.02 120.51 105.73 1xwn n ALA 3 Ca -0.20 -0.50 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 1xwn n ALA 3 Cb 0.65 -2.54 -0.07 0.00 0.00 0.00 0.00 19.45 17.49 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 0.73 4.46 0.44 0.00 1.01 -1.26 -5.08 121.20 121.50 1xwn s ILE 4 Ca 0.27 -2.53 -0.24 0.00 0.00 0.00 0.00 60.65 58.15 1xwn s ILE 4 Cb 0.13 -3.85 -0.08 0.00 0.01 0.00 0.00 42.46 38.67 1xwn s ILE 4 CO -0.11 -0.90 1.18 -2.16 0.00 0.00 0.00 174.94 172.95 1xwn s PRO 5 N 0.34 3.82 -1.27 2.79 0.04 -1.26 -4.91 135.00 134.54 1xwn s PRO 5 Ca 0.15 1.83 -0.09 0.00 0.04 0.00 0.00 61.00 62.93 1xwn s PRO 5 Cb -0.18 -2.49 -0.11 0.00 0.04 0.00 0.00 34.50 31.76 1xwn s PRO 5 CO -0.05 -0.51 2.93 -0.35 0.04 0.00 0.00 177.00 179.06 1xwn n PRO 6 N -0.33 3.20 -1.83 0.56 -0.04 -1.26 -4.54 135.00 130.76 1xwn n PRO 6 Ca 0.06 -1.90 -0.16 0.00 -0.04 0.00 0.00 63.50 61.47 1xwn n PRO 6 Cb 0.47 -2.62 -0.04 0.00 -0.04 0.00 0.00 33.50 31.27 1xwn n PRO 6 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xwn n ASP 7 N 3.49 -4.38 -3.58 3.54 2.03 -1.26 -4.89 116.55 111.51 1xwn n ASP 7 Ca 0.68 0.28 -0.09 0.00 0.52 0.00 0.00 54.79 56.18 1xwn n ASP 7 Cb 0.32 -3.86 -0.02 0.00 -0.72 0.00 0.00 41.12 36.84 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.44 -1.92 0.00 0.00 177.20 174.84 1xwn s SER 8 N -2.22 -0.42 -0.09 1.67 0.01 -1.26 -5.07 113.70 106.31 1xwn s SER 8 Ca 0.00 -0.20 0.11 0.00 1.31 0.00 0.00 55.95 57.17 1xwn s SER 8 Cb 0.00 0.60 -0.16 0.00 0.21 0.00 0.00 66.02 66.67 1xwn s SER 8 CO 0.00 -1.03 0.10 0.79 0.41 0.00 0.00 173.24 173.52 1xwn n TRP 9 N -0.39 0.00 -3.58 2.43 7.02 -1.26 -4.78 117.44 116.87 1xwn n TRP 9 Ca -0.11 0.00 -0.33 0.00 -1.02 0.00 0.00 57.50 56.04 1xwn n TRP 9 Cb 0.63 -0.50 -0.07 0.00 -2.42 0.00 0.00 31.31 28.94 1xwn n TRP 9 CO 0.00 0.00 0.00 1.04 -2.02 0.00 0.00 177.69 176.71 1xwn n GLN 10 N -2.30 2.61 -2.51 -0.99 6.02 -1.26 -4.79 117.38 114.15 1xwn n GLN 10 Ca -0.15 -4.54 -0.33 0.00 -0.01 0.00 0.00 57.00 51.97 1xwn n GLN 10 Cb 0.74 -2.35 -0.03 0.00 1.02 0.00 0.00 30.24 29.61 1xwn n GLN 10 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1xwn s PRO 11 N -1.84 3.82 0.15 -1.09 0.04 -1.26 -5.00 135.00 129.83 1xwn s PRO 11 Ca 0.30 1.26 -0.07 0.00 0.04 0.00 0.00 61.00 62.54 1xwn s PRO 11 Cb 0.00 -2.10 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 1xwn s PRO 11 CO -0.09 -0.40 1.39 -1.00 0.04 0.00 0.00 177.00 176.95 1xwn h PRO 12 N 1.42 0.62 -5.53 0.56 0.13 -1.86 -3.46 132.00 123.87 1xwn h PRO 12 Ca -0.49 -0.48 -0.51 0.00 -0.87 0.00 0.00 66.00 63.65 1xwn h PRO 12 Cb 1.21 0.09 -0.14 0.00 0.13 0.00 0.00 31.00 32.29 1xwn h PRO 12 CO 0.59 1.10 -0.66 -0.80 -0.23 0.00 0.00 178.00 178.00 1xwn s ASN 13 N -7.02 2.89 0.03 1.44 -0.87 -1.26 -1.91 114.94 108.24 1xwn s ASN 13 Ca -0.08 -1.22 -0.01 0.00 -1.57 0.00 0.00 52.86 49.97 1xwn s ASN 13 Cb 0.10 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.25 41.11 1xwn s ASN 13 CO 0.87 -0.37 -0.01 0.68 -2.57 0.00 0.00 177.10 175.70 1xwn s VAL 14 N -2.98 0.15 -0.38 1.60 -7.23 -1.14 -1.60 120.40 108.81 1xwn s VAL 14 Ca 0.31 -1.25 -0.05 0.00 -1.81 0.00 0.00 61.98 59.18 1xwn s VAL 14 Cb 0.05 -0.80 0.08 0.00 0.56 0.00 0.00 36.38 36.27 1xwn s VAL 14 CO 0.13 -0.69 0.17 -0.31 -0.31 0.00 0.00 175.10 174.09 1xwn s TYR 15 N -2.49 3.43 -0.76 2.82 2.02 0.22 -3.14 117.35 119.45 1xwn s TYR 15 Ca -0.06 -1.99 -0.22 0.00 -0.37 0.00 0.00 57.07 54.43 1xwn s TYR 15 Cb -0.02 -2.85 0.09 0.00 -0.40 0.00 0.00 41.96 38.78 1xwn s TYR 15 CO -0.05 -0.89 1.04 -0.51 -1.57 0.00 0.00 175.55 173.58 1xwn s LEU 16 N 1.26 4.50 -1.23 -1.29 1.43 -1.19 -2.04 118.68 120.13 1xwn s LEU 16 Ca 0.03 -1.30 -0.19 0.00 -1.03 0.00 0.00 54.13 51.64 1xwn s LEU 16 Cb -0.22 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.64 1xwn s LEU 16 CO -0.01 -1.35 1.66 -0.70 0.23 0.00 0.00 176.35 176.17 1xwn s GLU 17 N 3.76 3.89 0.55 1.70 -6.30 0.94 -3.42 118.70 119.82 1xwn s GLU 17 Ca 0.27 -1.81 -0.07 0.00 -2.50 0.00 0.00 54.97 50.86 1xwn s GLU 17 Cb -0.12 -5.48 -0.03 0.00 0.00 0.00 0.00 34.13 28.50 1xwn s GLU 17 CO 0.04 -2.23 0.89 0.95 0.02 0.00 0.00 175.26 174.92 1xwn s THR 18 N 4.32 4.57 0.36 -1.70 -4.23 -0.38 -0.38 115.64 118.20 1xwn s THR 18 Ca 0.52 0.36 0.07 0.00 -1.18 0.00 0.00 61.69 61.46 1xwn s THR 18 Cb 0.03 -3.78 0.16 0.00 1.34 0.00 0.00 72.50 70.25 1xwn s THR 18 CO 0.03 -0.85 1.90 -1.28 -0.54 0.00 0.00 174.62 173.88 1xwn h SER 19 N -0.04 0.35 -0.00 3.99 0.87 0.04 -2.27 113.55 116.49 1xwn h SER 19 Ca -0.46 -0.07 -0.10 0.00 -1.23 0.00 0.00 61.79 59.94 1xwn h SER 19 Cb 1.21 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.07 1xwn h SER 19 CO 0.62 0.46 -0.28 -0.03 -0.53 0.00 0.00 176.83 177.07 1xwn h MET 20 N 0.36 0.43 0.00 2.24 1.85 -1.78 -3.47 114.93 114.56 1xwn h MET 20 Ca 0.08 -0.17 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1xwn h MET 20 Cb 0.34 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.35 1xwn h MET 20 CO 0.02 0.67 0.00 0.41 -0.40 0.00 0.00 176.91 177.61 1xwn n GLY 21 N -0.36 -0.64 2.91 1.39 0.00 -0.85 -5.10 105.19 102.54 1xwn n GLY 21 Ca -0.01 -0.52 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -4.00 0.75 -0.04 -0.61 2.07 -1.26 -1.24 121.20 116.86 1xwn s ILE 22 Ca 0.00 -0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.06 1xwn s ILE 22 Cb 0.00 -0.76 0.01 0.00 0.13 0.00 0.00 42.46 41.83 1xwn s ILE 22 CO 0.00 0.29 -0.11 0.27 -1.91 0.00 0.00 174.94 173.48 1xwn s ILE 23 N 1.16 1.01 -0.44 2.00 -4.36 -1.22 -4.85 121.20 114.50 1xwn s ILE 23 Ca -0.07 -0.45 -0.19 0.00 -0.26 0.00 0.00 60.65 59.68 1xwn s ILE 23 Cb -0.14 -0.91 0.03 0.00 1.25 0.00 0.00 42.46 42.69 1xwn s ILE 23 CO -0.01 0.31 0.55 -0.69 0.24 0.00 0.00 174.94 175.34 1xwn s VAL 24 N 0.38 4.95 0.29 8.37 1.01 0.26 -3.16 120.40 132.50 1xwn s VAL 24 Ca -0.08 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.80 1xwn s VAL 24 Cb -0.12 -4.15 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 1xwn s VAL 24 CO 0.02 -0.55 0.26 -0.76 0.00 0.00 0.00 175.10 174.07 1xwn s LEU 25 N 2.49 3.75 0.05 3.92 1.43 -1.19 -3.05 118.68 126.09 1xwn s LEU 25 Ca 0.17 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1xwn s LEU 25 Cb -0.16 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.70 1xwn s LEU 25 CO 0.16 -0.19 -0.26 -0.70 0.23 0.00 0.00 176.35 175.58 1xwn s GLU 26 N -3.93 1.78 -0.04 1.70 2.12 -0.46 -2.91 118.70 116.97 1xwn s GLU 26 Ca 0.37 -1.13 0.03 0.00 0.36 0.00 0.00 54.97 54.60 1xwn s GLU 26 Cb -0.07 -1.98 0.00 0.00 0.26 0.00 0.00 34.13 32.34 1xwn s GLU 26 CO 0.26 0.51 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.86 1xwn s LEU 27 N -1.31 1.79 -0.53 2.70 1.02 -0.80 0.50 118.68 122.04 1xwn s LEU 27 Ca 0.12 -0.26 -0.26 0.00 0.02 0.00 0.00 54.13 53.74 1xwn s LEU 27 Cb -0.10 -0.75 -0.05 0.00 0.02 0.00 0.00 46.19 45.32 1xwn s LEU 27 CO 0.02 0.09 2.16 -0.31 0.02 0.00 0.00 176.35 178.33 1xwn s TYR 28 N 0.26 1.34 -1.45 0.29 2.02 -1.22 -4.70 117.35 113.88 1xwn s TYR 28 Ca -0.06 1.19 0.01 0.00 -0.37 0.00 0.00 57.07 57.84 1xwn s TYR 28 Cb -0.11 -3.82 0.03 0.00 -0.40 0.00 0.00 41.96 37.66 1xwn s TYR 28 CO 0.02 -2.49 0.77 -2.67 -1.57 0.00 0.00 175.55 169.61 1xwn n TRP 29 N 14.33 0.06 -0.05 2.71 4.27 -1.26 -1.59 117.44 135.91 1xwn n TRP 29 Ca 0.29 -0.02 -0.05 0.00 -3.89 0.00 0.00 57.50 53.83 1xwn n TRP 29 Cb 0.53 -0.06 -0.02 0.00 -1.36 0.00 0.00 31.31 30.40 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 -0.18 0.27 -0.00 -2.67 4.76 -1.26 -4.49 118.16 114.58 1xwn n LYS 30 Ca 0.01 0.11 0.10 0.00 -2.87 0.00 0.00 58.31 55.66 1xwn n LYS 30 Cb 0.17 -0.97 -0.13 0.00 -1.84 0.00 0.00 35.03 32.25 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 -3.50 0.00 0.89 2.13 8.25 -1.26 -4.41 115.22 117.33 1xwn n HIS 31 Ca -0.07 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.51 1xwn n HIS 31 Cb 0.26 -0.15 0.16 0.00 1.12 0.00 0.00 29.99 31.38 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 -1.72 2.46 -0.40 -1.41 0.00 -0.62 -4.59 120.51 114.22 1xwn n ALA 32 Ca 0.01 -0.74 0.34 0.00 0.00 0.00 0.00 53.44 53.06 1xwn n ALA 32 Cb 0.39 -0.86 0.61 0.00 0.00 0.00 0.00 19.45 19.60 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 4.44 0.09 -0.04 0.00 0.11 -1.76 0.50 132.00 135.34 1xwn h PRO 33 Ca 0.00 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.10 1xwn h PRO 33 Cb 0.95 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.04 1xwn h PRO 33 CO 0.00 0.06 0.01 -0.22 -0.21 0.00 0.00 178.00 177.64 1xwn h LYS 34 N 0.09 0.06 -0.39 1.05 1.63 -1.93 -2.26 116.57 114.83 1xwn h LYS 34 Ca 0.82 -0.01 -0.10 0.00 -0.85 0.00 0.00 60.65 60.50 1xwn h LYS 34 Cb 2.39 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 33.99 1xwn h LYS 34 CO -0.53 0.26 -0.17 1.15 -3.45 0.00 0.00 179.45 176.70 1xwn h THR 35 N -0.15 1.26 -0.34 1.00 2.02 -0.55 -2.48 112.91 113.68 1xwn h THR 35 Ca 0.01 -1.24 0.06 0.00 0.77 0.00 0.00 66.41 66.01 1xwn h THR 35 Cb 0.22 1.15 -0.06 0.00 -1.74 0.00 0.00 68.15 67.73 1xwn h THR 35 CO -0.00 0.42 -0.01 0.00 0.37 0.00 0.00 175.52 176.30 1xwn h LYS 37 N 0.09 0.98 -0.66 0.00 3.64 -1.30 -1.88 116.57 117.44 1xwn h LYS 37 Ca 0.16 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.37 1xwn h LYS 37 Cb 0.23 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.86 1xwn h LYS 37 CO -0.28 0.90 0.37 -0.97 -2.27 0.00 0.00 179.45 177.19 1xwn h ASN 38 N 0.93 0.54 -0.36 4.20 -1.24 -0.78 0.27 115.58 119.14 1xwn h ASN 38 Ca 0.19 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.15 1xwn h ASN 38 Cb 0.38 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.34 1xwn h ASN 38 CO 0.01 0.35 -0.10 0.15 -1.29 0.00 0.00 177.43 176.55 1xwn h PHE 39 N 0.68 0.80 0.18 0.67 3.57 -0.75 -1.20 116.94 120.89 1xwn h PHE 39 Ca 0.30 -0.17 -0.01 0.00 3.53 0.00 0.00 57.97 61.61 1xwn h PHE 39 Cb 0.19 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1xwn h PHE 39 CO -0.08 0.86 -0.09 0.00 -2.23 0.00 0.00 178.31 176.78 1xwn h ALA 40 N 0.82 -0.25 -0.36 2.41 0.00 -0.84 -2.41 119.26 118.64 1xwn h ALA 40 Ca 0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1xwn h ALA 40 Cb 0.61 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1xwn h ALA 40 CO 0.04 -0.51 0.23 1.49 0.00 0.00 0.00 179.25 180.50 1xwn h GLU 41 N -0.50 0.46 -0.95 0.00 4.57 -0.53 0.44 114.58 118.06 1xwn h GLU 41 Ca -0.03 -0.03 0.12 0.00 -1.18 0.00 0.00 59.36 58.24 1xwn h GLU 41 Cb 0.38 -0.10 -0.08 0.00 -0.16 0.00 0.00 28.75 28.79 1xwn h GLU 41 CO 0.04 0.31 0.58 1.25 -1.18 0.00 0.00 179.01 180.01 1xwn h LEU 42 N 0.48 0.85 0.09 1.64 6.46 -1.22 -1.09 115.31 122.51 1xwn h LEU 42 Ca 0.13 0.05 -0.27 0.00 -0.12 0.00 0.00 57.88 57.68 1xwn h LEU 42 Cb -0.05 -0.12 -0.01 0.00 -0.73 0.00 0.00 40.66 39.76 1xwn h LEU 42 CO -0.03 0.45 -1.25 0.00 -0.62 0.00 0.00 178.44 176.99 1xwn h ALA 43 N 1.52 0.21 -0.25 1.25 0.00 -1.00 -2.56 119.26 118.43 1xwn h ALA 43 Ca 0.47 -0.95 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xwn h ALA 43 Cb 0.47 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1xwn h ALA 43 CO -0.27 1.09 0.16 0.00 0.00 0.00 0.00 179.25 180.22 1xwn h ARG 44 N 0.05 0.31 -0.02 0.00 -0.00 0.70 -2.26 114.38 113.16 1xwn h ARG 44 Ca -0.13 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.33 1xwn h ARG 44 Cb 1.94 -0.07 -0.00 0.00 0.00 0.00 0.00 29.97 31.83 1xwn h ARG 44 CO 0.18 0.21 0.01 0.00 0.00 0.00 0.00 179.97 180.36 1xwn h ARG 45 N 0.32 0.03 0.00 0.04 3.08 -1.36 -3.46 114.38 113.04 1xwn h ARG 45 Ca 0.09 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1xwn h ARG 45 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1xwn h ARG 45 CO -0.03 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 1xwn n GLY 46 N -1.51 1.80 0.12 0.04 0.00 -0.85 -5.03 105.19 99.75 1xwn n GLY 46 Ca -0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.82 1xwn n GLY 46 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwn n TYR 47 N -0.71 1.00 0.11 1.61 4.19 -0.97 -4.33 117.16 118.06 1xwn n TYR 47 Ca 0.00 0.25 -0.18 0.00 3.31 0.00 0.00 57.90 61.28 1xwn n TYR 47 Cb 0.00 -1.14 -0.13 0.00 0.49 0.00 0.00 39.34 38.56 1xwn n TYR 47 CO 0.00 0.00 0.00 -0.92 0.91 0.00 0.00 176.86 176.85 1xwn h TYR 48 N 0.04 0.65 -0.61 2.98 3.20 -1.79 -3.39 116.97 118.05 1xwn h TYR 48 Ca -0.42 -0.45 -0.21 0.00 3.14 0.00 0.00 58.73 60.80 1xwn h TYR 48 Cb 2.03 -0.04 -0.03 0.00 1.54 0.00 0.00 36.73 40.23 1xwn h TYR 48 CO 0.05 1.33 0.53 -0.80 -1.64 0.00 0.00 178.16 177.63 1xwn s ASN 49 N -7.25 4.78 0.00 -2.11 -0.87 -1.26 -1.74 114.94 106.49 1xwn s ASN 49 Ca -0.06 -0.47 0.00 0.00 -1.57 0.00 0.00 52.86 50.77 1xwn s ASN 49 Cb 0.07 -2.56 0.00 0.00 -0.02 0.00 0.00 41.25 38.74 1xwn s ASN 49 CO 0.90 -3.08 0.00 0.61 -2.57 0.00 0.00 177.10 172.96 1xwn n GLY 50 N 6.84 1.26 3.73 0.66 0.00 0.14 -4.91 105.19 112.91 1xwn n GLY 50 Ca 0.42 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 2.16 0.14 2.61 -4.23 -0.71 -4.65 115.64 110.95 1xwn s THR 51 Ca 0.00 0.09 0.04 0.00 -1.18 0.00 0.00 61.69 60.64 1xwn s THR 51 Cb 0.00 -2.91 -0.04 0.00 1.34 0.00 0.00 72.50 70.89 1xwn s THR 51 CO 0.00 -0.03 -0.10 -1.59 -0.54 0.00 0.00 174.62 172.36 1xwn s LYS 52 N -3.55 1.02 -0.65 3.99 -2.85 -1.26 0.44 119.74 116.88 1xwn s LYS 52 Ca 0.79 -1.42 -0.27 0.00 -1.00 0.00 0.00 55.97 54.08 1xwn s LYS 52 Cb -0.34 -0.57 0.00 0.00 -2.06 0.00 0.00 37.83 34.86 1xwn s LYS 52 CO 0.41 0.06 1.61 -0.06 0.10 0.00 0.00 175.35 177.47 1xwn s PHE 53 N -3.31 1.94 -0.06 1.78 0.08 -1.24 -4.60 117.98 112.58 1xwn s PHE 53 Ca 0.15 0.44 -0.27 0.00 0.12 0.00 0.00 56.93 57.38 1xwn s PHE 53 Cb 0.03 -4.32 -0.22 0.00 -0.57 0.00 0.00 43.02 37.94 1xwn s PHE 53 CO -0.00 -2.21 1.10 0.45 -0.10 0.00 0.00 175.22 174.46 1xwn h HIS 54 N 12.78 -0.01 -3.24 0.36 3.86 -1.90 -3.37 115.15 123.64 1xwn h HIS 54 Ca -0.27 -0.00 -0.62 0.00 -1.16 0.00 0.00 60.37 58.32 1xwn h HIS 54 Cb 1.11 0.00 -0.14 0.00 1.06 0.00 0.00 27.41 29.44 1xwn h HIS 54 CO 1.07 0.63 -0.54 1.03 0.86 0.00 0.00 177.93 180.99 1xwn s ARG 55 N -3.60 3.95 -0.23 2.45 0.52 -1.25 -3.82 118.95 116.97 1xwn s ARG 55 Ca -0.17 -0.30 -0.04 0.00 -0.52 0.00 0.00 55.73 54.70 1xwn s ARG 55 Cb 0.00 -3.24 0.09 0.00 0.52 0.00 0.00 34.95 32.32 1xwn s ARG 55 CO 0.67 0.33 0.16 0.42 0.02 0.00 0.00 175.30 176.91 1xwn s ILE 56 N 0.21 -0.18 -0.35 1.52 1.01 0.15 -2.79 121.20 120.78 1xwn s ILE 56 Ca 0.05 -0.40 -0.20 0.00 0.00 0.00 0.00 60.65 60.10 1xwn s ILE 56 Cb -0.12 -0.79 0.00 0.00 0.01 0.00 0.00 42.46 41.56 1xwn s ILE 56 CO -0.00 -0.44 0.63 -0.63 0.00 0.00 0.00 174.94 174.49 1xwn s ILE 57 N 2.20 4.91 0.21 2.92 1.01 -0.33 -4.67 121.20 127.44 1xwn s ILE 57 Ca 0.06 0.60 -0.31 0.00 0.00 0.00 0.00 60.65 61.01 1xwn s ILE 57 Cb -0.16 -4.06 -0.11 0.00 0.01 0.00 0.00 42.46 38.15 1xwn s ILE 57 CO -0.23 -0.28 1.56 -0.75 0.00 0.00 0.00 174.94 175.24 1xwn s LYS 58 N 2.67 4.20 -1.23 2.79 2.36 -1.26 -2.91 119.74 126.35 1xwn s LYS 58 Ca 0.24 2.42 -0.03 0.00 -2.55 0.00 0.00 55.97 56.05 1xwn s LYS 58 Cb -0.15 -3.11 -0.01 0.00 -1.05 0.00 0.00 37.83 33.52 1xwn s LYS 58 CO 0.14 -0.58 0.79 -3.47 1.55 0.00 0.00 175.35 173.78 1xwn n ASP 59 N 3.24 -2.50 0.00 1.43 2.03 -1.26 -4.81 116.55 114.67 1xwn n ASP 59 Ca 0.11 -0.79 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1xwn n ASP 59 Cb 0.38 -4.33 0.00 0.00 -0.72 0.00 0.00 41.12 36.45 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 -4.10 0.00 -3.58 -0.67 7.35 -1.17 -4.95 117.46 110.35 1xwn n PHE 60 Ca -0.25 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.35 1xwn n PHE 60 Cb 0.66 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.47 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 1.42 -0.03 -4.13 0.23 -1.15 -2.74 119.30 112.91 1xwn s MET 61 Ca 0.00 -0.64 0.00 0.00 -1.03 0.00 0.00 55.69 54.03 1xwn s MET 61 Cb 0.00 0.58 0.03 0.00 -1.53 0.00 0.00 34.83 33.91 1xwn s MET 61 CO 0.00 -0.63 0.00 0.42 -2.03 0.00 0.00 175.02 172.78 1xwn s ILE 62 N -3.76 0.16 0.19 3.16 1.09 -1.04 -1.19 121.20 119.81 1xwn s ILE 62 Ca 0.05 0.09 0.10 0.00 -1.10 0.00 0.00 60.65 59.79 1xwn s ILE 62 Cb -0.03 -0.25 -0.04 0.00 -1.06 0.00 0.00 42.46 41.08 1xwn s ILE 62 CO -0.06 0.13 -0.18 0.00 -0.10 0.00 0.00 174.94 174.73 1xwn s GLN 63 N 0.96 1.73 -0.22 2.79 -2.07 -1.12 0.28 119.66 122.01 1xwn s GLN 63 Ca -0.09 -1.44 -0.05 0.00 -1.82 0.00 0.00 55.36 51.96 1xwn s GLN 63 Cb -0.13 -1.96 0.08 0.00 -1.09 0.00 0.00 33.01 29.91 1xwn s GLN 63 CO -0.02 0.41 0.11 0.20 -1.32 0.00 0.00 175.29 174.67 1xwn s GLY 64 N -2.77 0.41 0.39 2.60 0.00 0.54 -3.87 107.32 104.61 1xwn s GLY 64 Ca 0.23 -0.61 -0.15 0.00 0.00 0.00 0.00 44.72 44.18 1xwn s GLY 64 CO 0.12 1.86 0.81 0.61 0.00 0.00 0.00 173.10 176.50 1xwn n GLY 65 N 5.26 0.96 2.64 0.20 0.00 -1.26 -3.22 105.19 109.77 1xwn n GLY 65 Ca -0.07 -1.26 -0.04 0.00 0.00 0.00 0.00 46.02 44.66 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 -1.53 -6.73 0.06 1.61 8.00 -1.26 -4.86 116.55 111.84 1xwn n ASP 66 Ca -0.09 0.26 -0.08 0.00 0.71 0.00 0.00 54.79 55.59 1xwn n ASP 66 Cb 0.60 -4.50 0.05 0.00 -0.02 0.00 0.00 41.12 37.25 1xwn n ASP 66 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1xwn h PRO 67 N 1.16 0.33 0.15 -0.24 0.13 -1.94 -3.32 132.00 128.28 1xwn h PRO 67 Ca 0.00 -0.26 -0.34 0.00 -0.87 0.00 0.00 66.00 64.53 1xwn h PRO 67 Cb 0.87 0.05 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1xwn h PRO 67 CO 0.19 0.90 -1.74 0.00 -0.23 0.00 0.00 178.00 177.12 1xwn h THR 68 N 0.23 0.86 -3.76 1.56 1.03 -1.93 -3.50 112.91 107.40 1xwn h THR 68 Ca -0.02 -2.43 -0.14 0.00 -0.01 0.00 0.00 66.41 63.81 1xwn h THR 68 Cb 1.26 2.67 0.08 0.00 -1.07 0.00 0.00 68.15 71.08 1xwn h THR 68 CO 0.11 0.83 -0.36 0.61 -0.01 0.00 0.00 175.52 176.70 1xwn n GLY 69 N 1.87 0.05 0.23 2.99 0.00 -1.25 -5.00 105.19 104.08 1xwn n GLY 69 Ca -0.27 -0.14 -0.08 0.00 0.00 0.00 0.00 46.02 45.53 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 -2.39 0.58 0.00 2.61 -2.24 -1.26 -5.08 114.28 106.50 1xwn n THR 70 Ca -0.11 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1xwn n THR 70 Cb 0.57 -1.08 0.00 0.00 -2.10 0.00 0.00 70.33 67.72 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 2.82 2.29 0.10 3.38 0.00 -1.26 -4.74 105.19 107.78 1xwn n GLY 71 Ca -0.19 -0.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.94 1xwn n GLY 71 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1xwn h ARG 72 N 0.00 0.11 -5.44 1.61 -0.00 -2.05 -3.42 114.38 105.20 1xwn h ARG 72 Ca 0.00 -0.19 -0.68 0.00 -0.00 0.00 0.00 59.98 59.10 1xwn h ARG 72 Cb 0.00 0.07 -0.13 0.00 -0.00 0.00 0.00 29.97 29.91 1xwn h ARG 72 CO 0.00 0.83 1.55 0.20 -0.00 0.00 0.00 179.97 182.56 1xwn s GLY 73 N -5.13 1.83 -0.31 0.08 0.00 -1.26 -4.87 107.32 97.66 1xwn s GLY 73 Ca -0.09 -2.88 0.02 0.00 0.00 0.00 0.00 44.72 41.78 1xwn s GLY 73 CO 0.82 2.39 0.38 -0.32 0.00 0.00 0.00 173.10 176.37 1xwn s GLY 74 N 3.88 -0.39 -0.06 0.20 0.00 -1.26 -4.67 107.32 105.02 1xwn s GLY 74 Ca 0.45 -0.16 0.06 0.00 0.00 0.00 0.00 44.72 45.07 1xwn s GLY 74 CO -0.01 2.91 -0.24 0.00 0.00 0.00 0.00 173.10 175.75 1xwn s ALA 75 N 2.25 2.11 0.00 3.20 0.00 -1.26 -4.52 121.76 123.54 1xwn s ALA 75 Ca 0.11 -1.02 0.00 0.00 0.00 0.00 0.00 51.96 51.05 1xwn s ALA 75 Cb -0.13 -0.66 0.00 0.00 0.00 0.00 0.00 23.12 22.33 1xwn s ALA 75 CO -0.25 0.40 0.00 -1.13 0.00 0.00 0.00 175.76 174.78 1xwn n SER 76 N 2.98 0.00 0.01 0.00 3.41 -0.45 -4.96 113.62 114.61 1xwn n SER 76 Ca -0.18 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 1xwn n SER 76 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 1xwn n SER 76 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1xwn n ILE 77 N -0.27 0.00 -1.08 -1.33 -0.00 -1.26 -4.88 119.36 110.54 1xwn n ILE 77 Ca 0.00 0.00 -0.25 0.00 -0.00 0.00 0.00 62.75 62.50 1xwn n ILE 77 Cb 0.00 -0.44 0.12 0.00 -0.00 0.00 0.00 39.64 39.32 1xwn n ILE 77 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 1xwn n TYR 78 N -2.55 2.75 0.00 1.39 4.01 -1.26 -5.01 117.16 116.49 1xwn n TYR 78 Ca 0.00 -2.20 0.00 0.00 -0.16 0.00 0.00 57.90 55.54 1xwn n TYR 78 Cb 0.00 -1.09 0.00 0.00 -0.31 0.00 0.00 39.34 37.94 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 -0.78 0.10 0.22 2.72 0.00 -1.26 -4.80 105.19 101.39 1xwn n GLY 79 Ca 0.54 -2.29 0.09 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 1.44 -2.84 1.61 2.85 -1.26 -1.34 118.16 118.62 1xwn n LYS 80 Ca 0.00 -2.72 0.03 0.00 -1.05 0.00 0.00 58.31 54.57 1xwn n LYS 80 Cb 0.00 -1.55 0.01 0.00 -0.65 0.00 0.00 35.03 32.84 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 -2.94 0.08 0.50 -1.58 -2.07 -1.24 -4.56 119.66 107.86 1xwn s GLN 81 Ca 0.34 -0.00 0.07 0.00 -1.82 0.00 0.00 55.36 53.94 1xwn s GLN 81 Cb 0.30 0.02 0.02 0.00 -1.09 0.00 0.00 33.01 32.26 1xwn s GLN 81 CO 0.02 -0.13 0.44 -0.59 -1.32 0.00 0.00 175.29 173.71 1xwn s PHE 82 N 2.26 1.96 0.30 9.60 -0.12 -1.26 -4.77 117.98 125.96 1xwn s PHE 82 Ca 0.19 -0.71 -0.29 0.00 -0.05 0.00 0.00 56.93 56.07 1xwn s PHE 82 Cb 0.03 -2.04 -0.09 0.00 -0.63 0.00 0.00 43.02 40.29 1xwn s PHE 82 CO -0.18 -0.43 1.11 -1.21 -0.05 0.00 0.00 175.22 174.46 1xwn s GLU 83 N -4.27 4.55 0.84 1.99 2.02 -1.26 -3.86 118.70 118.71 1xwn s GLU 83 Ca 0.42 1.81 -0.13 0.00 0.02 0.00 0.00 54.97 57.10 1xwn s GLU 83 Cb -0.03 -3.10 0.09 0.00 0.10 0.00 0.00 34.13 31.20 1xwn s GLU 83 CO 0.26 0.13 1.12 -0.25 0.02 0.00 0.00 175.26 176.54 1xwn n ASP 84 N 1.00 0.60 -2.08 -0.19 9.92 -1.26 -4.95 116.55 119.60 1xwn n ASP 84 Ca -0.00 0.53 -0.27 0.00 -0.53 0.00 0.00 54.79 54.52 1xwn n ASP 84 Cb 0.45 -1.47 0.09 0.00 -0.64 0.00 0.00 41.12 39.55 1xwn n ASP 84 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 1xwn n GLU 85 N -3.36 2.74 -3.67 -1.24 4.07 -1.26 -5.00 120.64 112.92 1xwn n GLU 85 Ca 0.13 -3.46 -0.32 0.00 -0.06 0.00 0.00 57.16 53.45 1xwn n GLU 85 Cb 0.51 -2.21 -0.05 0.00 -0.06 0.00 0.00 31.44 29.63 1xwn n GLU 85 CO 0.00 0.00 0.00 -1.17 -0.06 0.00 0.00 177.13 175.90 1xwn s LEU 86 N -3.62 4.28 0.17 4.31 2.96 -1.26 -4.87 118.68 120.65 1xwn s LEU 86 Ca 0.58 0.61 0.00 0.00 -0.22 0.00 0.00 54.13 55.10 1xwn s LEU 86 Cb 0.47 -3.24 0.00 0.00 0.50 0.00 0.00 46.19 43.92 1xwn s LEU 86 CO 0.02 0.08 0.00 1.41 -1.32 0.00 0.00 176.35 176.53 1xwn n HIS 87 N 0.23 -2.97 -1.12 5.38 8.25 -1.26 -5.16 115.22 118.57 1xwn n HIS 87 Ca -0.03 0.58 -0.13 0.00 -0.26 0.00 0.00 57.72 57.87 1xwn n HIS 87 Cb 0.52 1.69 0.10 0.00 1.12 0.00 0.00 29.99 33.42 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 -2.92 -1.14 -0.06 -0.41 -0.04 -1.26 -5.06 135.00 124.11 1xwn n PRO 88 Ca 0.00 -0.83 -0.05 0.00 -0.04 0.00 0.00 63.50 62.58 1xwn n PRO 88 Cb 0.00 -0.64 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 1xwn n PRO 88 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xwn n ASP 89 N -3.55 1.54 -1.03 3.54 5.75 -1.26 -5.09 116.55 116.45 1xwn n ASP 89 Ca 0.07 0.49 0.07 0.00 -0.01 0.00 0.00 54.79 55.41 1xwn n ASP 89 Cb 0.25 -0.78 -0.02 0.00 -1.03 0.00 0.00 41.12 39.54 1xwn n ASP 89 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 1xwn n LEU 90 N -4.20 0.00 -4.44 -2.12 4.32 -1.26 -4.97 117.00 104.33 1xwn n LEU 90 Ca -0.08 0.53 -0.22 0.00 -0.02 0.00 0.00 56.01 56.23 1xwn n LEU 90 Cb 0.28 -1.52 -0.09 0.00 -1.62 0.00 0.00 43.42 40.47 1xwn n LEU 90 CO 0.11 -1.78 -0.22 -0.54 -1.22 0.00 0.00 177.39 173.74 1xwn s LYS 91 N -0.80 1.72 -0.30 3.23 1.02 -1.26 -5.08 119.74 118.27 1xwn s LYS 91 Ca 0.00 -2.00 0.11 0.00 0.02 0.00 0.00 55.97 54.11 1xwn s LYS 91 Cb 0.00 -0.54 0.36 0.00 -0.52 0.00 0.00 37.83 37.13 1xwn s LYS 91 CO 0.00 -0.37 1.47 0.34 -0.92 0.00 0.00 175.35 175.88 1xwn n PHE 92 N -0.73 -1.83 -0.04 3.18 7.35 -1.26 -5.00 117.46 119.13 1xwn n PHE 92 Ca -0.03 -1.56 -0.08 0.00 -0.76 0.00 0.00 57.45 55.02 1xwn n PHE 92 Cb 0.66 1.44 -0.03 0.00 0.35 0.00 0.00 39.48 41.90 1xwn n PHE 92 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 1xwn n THR 93 N -1.37 1.26 -1.69 -2.13 -1.04 -1.26 -3.65 114.28 104.40 1xwn n THR 93 Ca -0.19 0.15 -0.60 0.00 -2.04 0.00 0.00 64.05 61.38 1xwn n THR 93 Cb 0.85 -1.94 -0.08 0.00 -1.82 0.00 0.00 70.33 67.34 1xwn n THR 93 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwn n GLY 94 N 2.29 0.54 3.62 3.41 0.00 -1.26 -3.34 105.19 110.45 1xwn n GLY 94 Ca -0.13 0.90 -0.54 0.00 0.00 0.00 0.00 46.02 46.26 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 4.29 -0.76 0.00 4.61 0.00 -1.26 -4.08 120.51 123.31 1xwn n ALA 95 Ca 0.26 0.48 0.00 0.00 0.00 0.00 0.00 53.44 54.18 1xwn n ALA 95 Cb 0.08 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.42 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 2.99 0.84 3.16 0.00 0.00 0.16 -4.95 105.19 107.40 1xwn n GLY 96 Ca 0.21 -0.81 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 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 -1.80 1.37 -0.21 -0.61 -1.09 -0.61 -1.90 121.20 116.34 1xwn s ILE 97 Ca 0.00 -0.75 -0.03 0.00 -2.23 0.00 0.00 60.65 57.64 1xwn s ILE 97 Cb 0.00 -1.14 -0.01 0.00 -1.58 0.00 0.00 42.46 39.73 1xwn s ILE 97 CO 0.00 0.38 -0.06 -0.76 -1.23 0.00 0.00 174.94 173.27 1xwn s LEU 98 N -0.43 2.85 0.01 2.97 1.43 -0.96 -0.81 118.68 123.75 1xwn s LEU 98 Ca 0.07 -0.40 0.07 0.00 -1.03 0.00 0.00 54.13 52.84 1xwn s LEU 98 Cb -0.07 -1.72 -0.02 0.00 0.03 0.00 0.00 46.19 44.41 1xwn s LEU 98 CO -0.01 -0.00 -0.20 0.00 0.23 0.00 0.00 176.35 176.37 1xwn s ALA 99 N 1.38 1.71 -0.36 4.21 0.00 -1.15 -0.66 121.76 126.90 1xwn s ALA 99 Ca 0.05 -0.95 -0.29 0.00 0.00 0.00 0.00 51.96 50.77 1xwn s ALA 99 Cb -0.14 -0.39 0.02 0.00 0.00 0.00 0.00 23.12 22.60 1xwn s ALA 99 CO -0.03 0.40 1.11 -1.64 0.00 0.00 0.00 175.76 175.61 1xwn s MET 100 N -0.77 3.97 0.56 0.00 -1.94 0.38 -3.01 119.30 118.48 1xwn s MET 100 Ca 0.08 0.97 -0.13 0.00 -1.71 0.00 0.00 55.69 54.89 1xwn s MET 100 Cb -0.08 -3.79 -0.06 0.00 2.01 0.00 0.00 34.83 32.91 1xwn s MET 100 CO 0.00 -1.04 0.99 0.00 -0.01 0.00 0.00 175.02 174.96 1xwn s ALA 101 N 3.92 3.11 0.08 3.03 0.00 -1.08 -2.50 121.76 128.32 1xwn s ALA 101 Ca 0.47 0.01 0.02 0.00 0.00 0.00 0.00 51.96 52.46 1xwn s ALA 101 Cb -0.11 -3.06 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1xwn s ALA 101 CO 0.20 -0.43 -0.07 0.54 0.00 0.00 0.00 175.76 176.00 1xwn s ASN 102 N -3.61 1.07 -0.09 0.00 2.20 -1.26 -4.36 114.94 108.88 1xwn s ASN 102 Ca 0.56 -0.88 -0.02 0.00 -0.94 0.00 0.00 52.86 51.58 1xwn s ASN 102 Cb -0.10 0.08 -0.26 0.00 -2.00 0.00 0.00 41.25 38.97 1xwn s ASN 102 CO 0.42 -0.39 0.50 0.00 -2.94 0.00 0.00 177.10 174.69 1xwn h ALA 103 N 3.38 0.49 -3.00 3.54 0.00 -1.69 -3.49 119.26 118.49 1xwn h ALA 103 Ca -0.35 -1.37 0.02 0.00 0.00 0.00 0.00 54.91 53.21 1xwn h ALA 103 Cb 1.18 0.60 -0.02 0.00 0.00 0.00 0.00 17.79 19.54 1xwn h ALA 103 CO 0.58 1.35 0.24 0.20 0.00 0.00 0.00 179.25 181.62 1xwn s GLY 104 N -5.39 0.16 -0.15 0.00 0.00 -0.90 -5.04 107.32 96.00 1xwn s GLY 104 Ca -0.16 -0.55 -0.35 0.00 0.00 0.00 0.00 44.72 43.65 1xwn s GLY 104 CO 0.80 -0.21 1.89 -1.05 0.00 0.00 0.00 173.10 174.52 1xwn n PRO 105 N -0.50 1.88 -2.50 2.90 -0.02 -1.26 -0.64 135.00 134.87 1xwn n PRO 105 Ca -0.06 0.68 -0.20 0.00 -2.02 0.00 0.00 63.50 61.89 1xwn n PRO 105 Cb 0.59 -2.53 -0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xwn n ASP 106 N 6.74 -5.76 -3.45 2.55 8.00 -1.26 -4.95 116.55 118.42 1xwn n ASP 106 Ca 0.25 -0.04 -0.29 0.00 0.71 0.00 0.00 54.79 55.42 1xwn n ASP 106 Cb 0.26 -4.78 -0.12 0.00 -0.02 0.00 0.00 41.12 36.46 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1xwn s THR 107 N -3.02 0.18 0.50 -3.53 2.01 0.19 -4.25 115.64 107.71 1xwn s THR 107 Ca 0.05 -1.87 -0.01 0.00 0.31 0.00 0.00 61.69 60.17 1xwn s THR 107 Cb -0.02 -1.14 0.01 0.00 0.01 0.00 0.00 72.50 71.35 1xwn s THR 107 CO 0.06 -1.03 0.74 0.20 -0.69 0.00 0.00 174.62 173.89 1xwn s ASN 108 N 0.90 5.64 0.00 3.53 0.01 -1.25 -1.87 114.94 121.89 1xwn s ASN 108 Ca 0.21 0.28 0.00 0.00 -0.71 0.00 0.00 52.86 52.64 1xwn s ASN 108 Cb -0.18 -1.39 0.00 0.00 0.41 0.00 0.00 41.25 40.08 1xwn s ASN 108 CO -0.03 -0.88 0.00 0.61 -1.51 0.00 0.00 177.10 175.29 1xwn n GLY 109 N -2.24 1.68 2.58 0.66 0.00 -1.26 -3.59 105.19 103.01 1xwn n GLY 109 Ca 0.03 -0.12 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 1xwn n GLY 109 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xwn n SER 110 N 0.00 -1.46 -4.33 1.61 2.88 -1.26 -4.47 113.62 106.58 1xwn n SER 110 Ca 0.00 -2.15 -0.20 0.00 -1.33 0.00 0.00 58.87 55.19 1xwn n SER 110 Cb 0.00 0.76 -0.11 0.00 -0.75 0.00 0.00 64.21 64.11 1xwn n SER 110 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 1xwn s GLN 111 N 0.13 1.28 0.10 -1.46 -0.21 -1.26 -4.06 119.66 114.19 1xwn s GLN 111 Ca 0.12 -1.48 -0.12 0.00 0.02 0.00 0.00 55.36 53.90 1xwn s GLN 111 Cb 0.37 -1.20 0.01 0.00 1.00 0.00 0.00 33.01 33.19 1xwn s GLN 111 CO -0.10 0.22 0.28 -0.06 -2.12 0.00 0.00 175.29 173.51 1xwn s PHE 112 N -2.49 0.01 -0.03 0.91 0.40 -1.20 -2.64 117.98 112.94 1xwn s PHE 112 Ca 0.18 -0.39 0.01 0.00 -0.60 0.00 0.00 56.93 56.13 1xwn s PHE 112 Cb -0.03 0.07 0.03 0.00 0.51 0.00 0.00 43.02 43.59 1xwn s PHE 112 CO 0.07 -0.61 -0.01 -0.59 0.70 0.00 0.00 175.22 174.78 1xwn s PHE 113 N -3.84 0.35 -0.46 0.36 -0.71 -1.16 -0.34 117.98 112.18 1xwn s PHE 113 Ca 0.04 -0.02 -0.16 0.00 -1.04 0.00 0.00 56.93 55.75 1xwn s PHE 113 Cb 0.04 -0.42 0.05 0.00 -1.21 0.00 0.00 43.02 41.47 1xwn s PHE 113 CO -0.11 -0.13 0.42 0.08 -1.34 0.00 0.00 175.22 174.14 1xwn s VAL 114 N 0.95 5.16 -0.09 -2.49 1.01 0.14 -2.92 120.40 122.16 1xwn s VAL 114 Ca -0.10 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 60.82 1xwn s VAL 114 Cb -0.13 -4.10 -0.01 0.00 0.00 0.00 0.00 36.38 32.14 1xwn s VAL 114 CO -0.01 -0.53 1.02 0.42 0.00 0.00 0.00 175.10 175.99 1xwn s THR 115 N 1.89 4.76 -1.10 3.92 -4.23 0.01 -2.49 115.64 118.39 1xwn s THR 115 Ca 0.07 2.02 0.12 0.00 -1.18 0.00 0.00 61.69 62.72 1xwn s THR 115 Cb -0.21 -4.30 -0.00 0.00 1.34 0.00 0.00 72.50 69.33 1xwn s THR 115 CO 0.09 0.02 0.71 0.00 -0.54 0.00 0.00 174.62 174.90 1xwn n LEU 116 N 4.92 1.35 -4.41 4.79 -0.00 -1.11 0.35 117.00 122.89 1xwn n LEU 116 Ca 0.09 -0.77 -0.28 0.00 -0.00 0.00 0.00 56.01 55.05 1xwn n LEU 116 Cb 0.49 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.78 1xwn n LEU 116 CO 0.52 0.27 -0.55 0.00 -0.00 0.00 0.00 177.39 177.63 1xwn s ALA 117 N -1.54 2.47 -0.55 1.47 0.00 -1.13 -4.42 121.76 118.06 1xwn s ALA 117 Ca 0.10 -1.56 -0.26 0.00 0.00 0.00 0.00 51.96 50.24 1xwn s ALA 117 Cb 0.10 -0.36 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 1xwn s ALA 117 CO 0.30 0.48 2.12 -1.25 0.00 0.00 0.00 175.76 177.41 1xwn s PRO 118 N -2.39 2.38 -0.25 0.00 0.04 -1.21 -4.75 135.00 128.82 1xwn s PRO 118 Ca 0.18 0.99 0.02 0.00 0.04 0.00 0.00 61.00 62.22 1xwn s PRO 118 Cb -0.09 -4.48 0.06 0.00 0.04 0.00 0.00 34.50 30.03 1xwn s PRO 118 CO 0.08 -2.99 -0.09 0.95 0.04 0.00 0.00 177.00 174.99 1xwn s THR 119 N 10.55 1.89 -0.19 1.26 -4.23 -1.24 -4.97 115.64 118.72 1xwn s THR 119 Ca 0.81 -1.43 -0.03 0.00 -1.18 0.00 0.00 61.69 59.86 1xwn s THR 119 Cb -0.15 -2.06 -0.22 0.00 1.34 0.00 0.00 72.50 71.42 1xwn s THR 119 CO 0.23 -0.04 0.08 0.00 -0.54 0.00 0.00 174.62 174.35 1xwn n GLN 120 N 4.54 0.70 0.03 3.99 6.02 -1.26 -4.03 117.38 127.37 1xwn n GLN 120 Ca -0.13 0.22 0.03 0.00 -0.01 0.00 0.00 57.00 57.10 1xwn n GLN 120 Cb 0.43 -1.62 0.39 0.00 1.02 0.00 0.00 30.24 30.46 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 0.46 -0.00 1.08 0.09 -1.96 -1.05 115.95 114.56 1xwn h TRP 121 Ca -0.50 -0.01 0.00 0.00 0.09 0.00 0.00 58.89 58.47 1xwn h TRP 121 Cb 1.95 -0.14 0.00 0.00 0.08 0.00 0.00 29.16 31.04 1xwn h TRP 121 CO 0.05 0.38 -0.03 1.28 0.09 0.00 0.00 178.44 180.21 1xwn n LEU 122 N -4.39 0.22 -3.62 0.11 4.77 -1.26 -4.39 117.00 108.44 1xwn n LEU 122 Ca 0.02 0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.66 1xwn n LEU 122 Cb 0.15 -0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1xwn n LEU 122 CO 0.37 0.04 2.76 -0.67 -1.33 0.00 0.00 177.39 178.56 1xwn n ASP 123 N -1.02 5.69 0.00 -1.43 2.03 -0.40 -3.64 116.55 117.78 1xwn n ASP 123 Ca 0.18 -2.83 0.00 0.00 0.52 0.00 0.00 54.79 52.66 1xwn n ASP 123 Cb 0.22 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.03 1xwn n ASP 123 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xwn n GLY 124 N 3.60 -0.05 0.17 0.27 0.00 -1.26 -4.99 105.19 102.92 1xwn n GLY 124 Ca 0.58 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.55 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 0.26 -6.03 1.61 1.57 -1.83 -3.41 116.57 108.74 1xwn h LYS 125 Ca 0.00 -0.02 -0.68 0.00 -1.87 0.00 0.00 60.65 58.08 1xwn h LYS 125 Cb 0.00 -0.06 -0.17 0.00 0.08 0.00 0.00 32.23 32.08 1xwn h LYS 125 CO 0.00 0.18 -0.66 -1.01 -0.57 0.00 0.00 179.45 177.39 1xwn s HIS 126 N -6.15 3.06 0.54 -1.35 3.76 -1.26 -4.88 115.29 109.00 1xwn s HIS 126 Ca -0.13 0.10 -0.15 0.00 -0.15 0.00 0.00 55.06 54.73 1xwn s HIS 126 Cb 0.13 -1.76 -0.07 0.00 1.11 0.00 0.00 32.58 31.99 1xwn s HIS 126 CO 0.72 0.39 1.00 -0.08 -0.85 0.00 0.00 174.74 175.91 1xwn s THR 127 N -0.81 4.57 0.82 1.30 -1.32 -1.04 -4.89 115.64 114.26 1xwn s THR 127 Ca 0.12 1.13 -0.11 0.00 -1.21 0.00 0.00 61.69 61.63 1xwn s THR 127 Cb -0.11 -3.75 0.18 0.00 -1.51 0.00 0.00 72.50 67.30 1xwn s THR 127 CO 0.02 -0.80 1.11 0.00 -2.21 0.00 0.00 174.62 172.74 1xwn n ILE 128 N -1.87 0.00 0.00 5.08 3.06 -1.26 0.14 119.36 124.51 1xwn n ILE 128 Ca 0.06 -1.04 0.00 0.00 -2.50 0.00 0.00 62.75 59.28 1xwn n ILE 128 Cb 0.54 -1.38 0.00 0.00 0.54 0.00 0.00 39.64 39.34 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 -3.39 0.00 -4.37 9.51 -1.74 -1.11 -3.55 117.46 112.80 1xwn n PHE 129 Ca 0.15 0.00 -0.22 0.00 -0.56 0.00 0.00 57.45 56.82 1xwn n PHE 129 Cb 0.52 0.00 -0.08 0.00 1.52 0.00 0.00 39.48 41.45 1xwn n PHE 129 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 1xwn n GLY 130 N -0.48 3.03 3.43 4.97 0.00 0.17 -3.40 105.19 112.91 1xwn n GLY 130 Ca 0.00 -1.98 -0.11 0.00 0.00 0.00 0.00 46.02 43.92 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 -3.45 1.50 -0.11 1.61 3.52 0.18 -2.26 118.95 119.94 1xwn s ARG 131 Ca 0.33 -1.49 -0.01 0.00 -0.13 0.00 0.00 55.73 54.43 1xwn s ARG 131 Cb 0.02 0.39 0.03 0.00 -1.56 0.00 0.00 34.95 33.83 1xwn s ARG 131 CO 0.23 -0.59 -0.06 0.08 -0.81 0.00 0.00 175.30 174.16 1xwn s VAL 132 N -3.87 0.91 -0.02 7.11 1.01 -0.80 -1.35 120.40 123.39 1xwn s VAL 132 Ca 0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 61.98 61.97 1xwn s VAL 132 Cb 0.02 -0.99 -0.02 0.00 0.00 0.00 0.00 36.38 35.39 1xwn s VAL 132 CO 0.13 0.31 -0.10 0.00 0.00 0.00 0.00 175.10 175.43 1xwn s GLN 134 N -2.23 2.17 0.00 0.00 0.74 -1.17 -4.57 119.66 114.60 1xwn s GLN 134 Ca -0.10 -2.42 0.00 0.00 0.05 0.00 0.00 55.36 52.89 1xwn s GLN 134 Cb 0.02 -3.51 0.00 0.00 1.10 0.00 0.00 33.01 30.62 1xwn s GLN 134 CO 0.13 -1.11 0.00 0.41 -0.55 0.00 0.00 175.29 174.17 1xwn n GLY 135 N 3.54 0.40 0.41 2.59 0.00 -1.26 0.91 105.19 111.78 1xwn n GLY 135 Ca 0.05 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.35 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 0.35 -0.38 -0.61 -0.00 -1.87 0.27 117.51 115.27 1xwn h ILE 136 Ca 0.00 -0.10 0.05 0.00 -0.00 0.00 0.00 64.86 64.82 1xwn h ILE 136 Cb 0.00 0.04 -0.05 0.00 -0.00 0.00 0.00 36.82 36.82 1xwn h ILE 136 CO 0.00 0.05 0.10 1.23 -0.00 0.00 0.00 178.15 179.53 1xwn h GLY 137 N 0.28 0.46 0.83 8.18 0.00 -1.95 -0.49 103.07 110.37 1xwn h GLY 137 Ca 0.70 -0.04 0.03 0.00 0.00 0.00 0.00 47.33 48.01 1xwn h GLY 137 CO -0.40 -0.01 0.25 1.98 0.00 0.00 0.00 176.54 178.36 1xwn h MET 138 N 0.23 0.48 -0.81 4.80 1.85 -1.33 -1.43 114.93 118.72 1xwn h MET 138 Ca 0.18 -0.03 0.01 0.00 -0.61 0.00 0.00 59.70 59.25 1xwn h MET 138 Cb 0.19 -0.11 -0.04 0.00 0.43 0.00 0.00 31.60 32.07 1xwn h MET 138 CO -0.21 0.32 0.54 0.28 -0.40 0.00 0.00 176.91 177.43 1xwn h VAL 139 N 0.49 1.19 -0.41 -5.77 2.07 -1.30 -2.35 116.25 110.18 1xwn h VAL 139 Ca 0.19 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.31 1xwn h VAL 139 Cb 0.06 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1xwn h VAL 139 CO -0.11 0.20 0.14 0.78 0.02 0.00 0.00 177.57 178.60 1xwn h ASN 140 N 1.08 0.59 -0.62 0.57 4.21 -0.27 -2.70 115.58 118.44 1xwn h ASN 140 Ca 0.30 -0.19 0.09 0.00 1.21 0.00 0.00 56.30 57.71 1xwn h ASN 140 Cb -0.10 -0.15 -0.04 0.00 -1.12 0.00 0.00 38.32 36.91 1xwn h ASN 140 CO -0.07 0.63 0.42 0.03 -1.29 0.00 0.00 177.43 177.14 1xwn h ARG 141 N 0.52 0.48 -0.68 0.81 3.08 -0.76 -0.65 114.38 117.18 1xwn h ARG 141 Ca 0.13 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.20 1xwn h ARG 141 Cb 0.24 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1xwn h ARG 141 CO -0.01 0.31 0.45 0.28 -1.07 0.00 0.00 179.97 179.94 1xwn h VAL 142 N 0.49 1.05 0.21 2.04 2.07 -1.20 -2.38 116.25 118.54 1xwn h VAL 142 Ca 0.28 -0.26 -0.32 0.00 0.82 0.00 0.00 66.70 67.23 1xwn h VAL 142 Cb 0.47 0.24 0.03 0.00 -1.52 0.00 0.00 31.29 30.50 1xwn h VAL 142 CO -0.08 0.14 -1.42 1.23 0.02 0.00 0.00 177.57 177.45 1xwn h GLY 143 N 0.75 0.50 0.53 2.17 0.00 -1.17 -3.34 103.07 102.51 1xwn h GLY 143 Ca 0.28 -1.28 0.06 0.00 0.00 0.00 0.00 47.33 46.39 1xwn h GLY 143 CO -0.09 1.12 0.10 -0.33 0.00 0.00 0.00 176.54 177.35 1xwn h MET 144 N 0.12 0.23 -6.47 4.80 2.07 -0.93 -3.41 114.93 111.34 1xwn h MET 144 Ca -0.22 -0.01 -0.61 0.00 -2.07 0.00 0.00 59.70 56.78 1xwn h MET 144 Cb 2.10 -0.05 0.09 0.00 -1.87 0.00 0.00 31.60 31.87 1xwn h MET 144 CO 0.25 0.16 0.31 1.55 1.07 0.00 0.00 176.91 180.24 1xwn n VAL 145 N -5.07 1.38 -1.70 -2.22 3.14 -0.94 -4.84 118.33 108.08 1xwn n VAL 145 Ca 0.03 -0.34 -0.42 0.00 -2.96 0.00 0.00 64.34 60.64 1xwn n VAL 145 Cb 0.18 -1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 31.84 1xwn n VAL 145 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1xwn s GLU 146 N -0.91 4.14 0.69 1.45 2.12 -1.26 -4.97 118.70 119.96 1xwn s GLU 146 Ca 0.66 2.58 -0.06 0.00 0.36 0.00 0.00 54.97 58.51 1xwn s GLU 146 Cb -0.73 -4.06 0.06 0.00 0.26 0.00 0.00 34.13 29.66 1xwn s GLU 146 CO 0.55 -0.93 0.99 0.95 -0.54 0.00 0.00 175.26 176.28 1xwn s THR 147 N 4.16 2.31 0.00 -1.70 -4.23 -1.26 -4.25 115.64 110.67 1xwn s THR 147 Ca 0.86 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 61.05 1xwn s THR 147 Cb -0.43 -2.99 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1xwn s THR 147 CO 0.40 0.00 0.00 -3.20 -0.54 0.00 0.00 174.62 171.28 1xwn n ASN 148 N -2.86 0.00 -1.67 3.99 2.85 -0.49 -4.89 115.26 112.19 1xwn n ASN 148 Ca 0.08 -0.62 -0.12 0.00 -0.11 0.00 0.00 54.58 53.81 1xwn n ASN 148 Cb 0.60 0.00 0.06 0.00 1.24 0.00 0.00 39.78 41.68 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 -1.87 4.65 -1.46 1.20 2.88 -1.26 -3.77 113.62 114.00 1xwn n SER 149 Ca 0.00 -2.83 -0.06 0.00 -1.33 0.00 0.00 58.87 54.66 1xwn n SER 149 Cb 0.00 -0.83 -0.01 0.00 -0.75 0.00 0.00 64.21 62.62 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 0.09 0.38 -3.26 -1.46 6.02 -1.26 -4.99 117.38 112.89 1xwn n GLN 150 Ca 0.26 -1.05 -0.23 0.00 -0.01 0.00 0.00 57.00 55.98 1xwn n GLN 150 Cb 0.81 0.48 0.00 0.00 1.02 0.00 0.00 30.24 32.56 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xwn n ASP 151 N -0.43 -4.13 -4.61 1.08 9.92 -1.25 -4.86 116.55 112.26 1xwn n ASP 151 Ca -0.25 -0.35 -0.29 0.00 -0.53 0.00 0.00 54.79 53.37 1xwn n ASP 151 Cb 0.75 -3.40 -0.09 0.00 -0.64 0.00 0.00 41.12 37.73 1xwn n ASP 151 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xwn s ARG 152 N -5.91 2.26 -0.10 -1.24 1.70 -1.25 0.32 118.95 114.73 1xwn s ARG 152 Ca 0.37 -1.00 -0.29 0.00 -0.47 0.00 0.00 55.73 54.33 1xwn s ARG 152 Cb -0.19 -2.36 -0.04 0.00 -0.57 0.00 0.00 34.95 31.79 1xwn s ARG 152 CO 0.45 0.51 1.50 -1.25 -1.08 0.00 0.00 175.30 175.42 1xwn s PRO 153 N -2.34 4.20 0.27 3.89 0.04 -1.26 -1.39 135.00 138.41 1xwn s PRO 153 Ca 0.23 1.98 0.06 0.00 0.04 0.00 0.00 61.00 63.31 1xwn s PRO 153 Cb -0.11 -3.89 0.36 0.00 0.04 0.00 0.00 34.50 30.90 1xwn s PRO 153 CO 0.15 -0.79 1.63 0.28 0.04 0.00 0.00 177.00 178.32 1xwn h VAL 154 N 5.54 1.36 -3.94 -0.36 2.07 -1.91 -3.45 116.25 115.56 1xwn h VAL 154 Ca -0.34 -1.78 -0.22 0.00 0.82 0.00 0.00 66.70 65.18 1xwn h VAL 154 Cb 1.15 1.87 0.05 0.00 -1.52 0.00 0.00 31.29 32.84 1xwn h VAL 154 CO 0.96 0.52 0.10 0.47 0.02 0.00 0.00 177.57 179.64 1xwn n ASP 155 N -3.94 0.48 -4.38 0.57 9.92 -1.26 -5.01 116.55 112.93 1xwn n ASP 155 Ca -0.02 -1.46 -0.45 0.00 -0.53 0.00 0.00 54.79 52.34 1xwn n ASP 155 Cb 0.55 -0.36 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1xwn n ASP 155 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1xwn n ASP 156 N -3.08 5.43 -4.21 -2.24 9.92 -1.26 -4.98 116.55 116.12 1xwn n ASP 156 Ca 0.08 -3.02 -0.35 0.00 -0.53 0.00 0.00 54.79 50.97 1xwn n ASP 156 Cb 0.28 -1.45 -0.14 0.00 -0.64 0.00 0.00 41.12 39.18 1xwn n ASP 156 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1xwn s VAL 157 N -0.31 3.09 0.40 2.53 1.01 -1.26 -4.46 120.40 121.40 1xwn s VAL 157 Ca 0.35 -1.09 -0.15 0.00 0.00 0.00 0.00 61.98 61.09 1xwn s VAL 157 Cb -0.07 -2.64 0.06 0.00 0.00 0.00 0.00 36.38 33.73 1xwn s VAL 157 CO -0.05 0.08 0.80 -1.59 0.00 0.00 0.00 175.10 174.34 1xwn s LYS 158 N 1.33 2.29 -0.22 2.72 0.00 -1.26 -3.59 119.74 121.01 1xwn s LYS 158 Ca -0.01 -1.49 -0.09 0.00 0.00 0.00 0.00 55.97 54.38 1xwn s LYS 158 Cb -0.18 0.63 -0.04 0.00 0.00 0.00 0.00 37.83 38.24 1xwn s LYS 158 CO -0.02 -1.07 0.11 0.42 0.00 0.00 0.00 175.35 174.79 1xwn s ILE 159 N -2.13 5.00 -0.14 3.79 1.01 0.17 0.76 121.20 129.67 1xwn s ILE 159 Ca 0.16 0.05 0.09 0.00 0.00 0.00 0.00 60.65 60.95 1xwn s ILE 159 Cb -0.05 -3.31 -0.15 0.00 0.01 0.00 0.00 42.46 38.96 1xwn s ILE 159 CO 0.12 0.38 -0.00 2.30 0.00 0.00 0.00 174.94 177.74 1xwn n ILE 160 N 4.12 0.91 -3.83 2.92 -5.35 -1.18 0.26 119.36 117.21 1xwn n ILE 160 Ca -0.16 -0.51 -0.12 0.00 -0.27 0.00 0.00 62.75 61.69 1xwn n ILE 160 Cb 0.52 -0.76 -0.11 0.00 -1.74 0.00 0.00 39.64 37.55 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 -2.32 0.32 -0.33 6.28 2.20 0.48 -4.23 119.74 122.15 1xwn s LYS 161 Ca -0.10 0.01 -0.00 0.00 -0.36 0.00 0.00 55.97 55.52 1xwn s LYS 161 Cb 0.04 0.14 0.13 0.00 -1.51 0.00 0.00 37.83 36.64 1xwn s LYS 161 CO 0.50 -0.06 0.25 0.00 -0.36 0.00 0.00 175.35 175.68 1xwn s ALA 162 N -0.46 0.22 0.22 3.13 0.00 -1.26 -0.04 121.76 123.56 1xwn s ALA 162 Ca -0.05 -1.11 0.11 0.00 0.00 0.00 0.00 51.96 50.90 1xwn s ALA 162 Cb -0.04 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.34 1xwn s ALA 162 CO 0.01 -1.91 -0.20 1.52 0.00 0.00 0.00 175.76 175.17 1xwn s TYR 163 N 1.70 2.35 0.76 0.00 1.13 -0.86 -4.68 117.35 117.75 1xwn s TYR 163 Ca 0.14 -0.33 -0.12 0.00 -1.41 0.00 0.00 57.07 55.35 1xwn s TYR 163 Cb -0.17 -1.12 0.05 0.00 -1.10 0.00 0.00 41.96 39.62 1xwn s TYR 163 CO -0.17 0.56 1.14 -1.25 -2.51 0.00 0.00 175.55 173.32 1xwn s PRO 164 N -2.95 2.38 0.30 -3.49 0.04 -1.26 0.71 135.00 130.74 1xwn s PRO 164 Ca 0.24 0.30 0.07 0.00 0.04 0.00 0.00 61.00 61.65 1xwn s PRO 164 Cb -0.07 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.46 1xwn s PRO 164 CO 0.12 -1.34 0.26 0.45 0.04 0.00 0.00 177.00 176.53 1xwn s SER 165 N -4.44 5.39 0.00 6.66 0.15 -0.63 -4.44 113.70 116.39 1xwn s SER 165 Ca 0.60 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.86 1xwn s SER 165 Cb -0.11 -1.14 0.00 0.00 -1.71 0.00 0.00 66.02 63.06 1xwn s SER 165 CO 0.51 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.32