#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 3.70 0.31 3.17 0.00 -1.26 -4.99 121.76 122.70 1xwn s ALA 2 Ca 0.00 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.98 1xwn s ALA 2 Cb 0.00 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.93 1xwn s ALA 2 CO 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 175.76 175.43 1xwn n ALA 3 N -2.06 -2.28 -2.73 0.00 0.00 -1.26 -4.87 120.51 107.30 1xwn n ALA 3 Ca 0.00 0.46 -0.36 0.00 0.00 0.00 0.00 53.44 53.54 1xwn n ALA 3 Cb 0.57 -0.89 -0.07 0.00 0.00 0.00 0.00 19.45 19.06 1xwn n ALA 3 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 1xwn s ILE 4 N -3.00 5.36 -0.19 0.00 1.10 -1.26 -5.03 121.20 118.18 1xwn s ILE 4 Ca 0.00 0.37 -0.38 0.00 -0.51 0.00 0.00 60.65 60.13 1xwn s ILE 4 Cb 0.00 -3.54 -0.15 0.00 0.15 0.00 0.00 42.46 38.92 1xwn s ILE 4 CO 0.00 0.44 1.75 -2.65 -2.11 0.00 0.00 174.94 172.37 1xwn n PRO 5 N 3.35 1.45 -0.33 3.50 -0.02 -1.26 -4.96 135.00 136.73 1xwn n PRO 5 Ca -0.14 0.53 -0.11 0.00 -2.02 0.00 0.00 63.50 61.76 1xwn n PRO 5 Cb 0.52 -2.26 0.09 0.00 -0.02 0.00 0.00 33.50 31.84 1xwn n PRO 5 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1xwn n PRO 6 N 5.47 -2.02 -2.11 0.52 -0.04 -1.26 -4.28 135.00 131.30 1xwn n PRO 6 Ca 0.25 -0.62 -0.17 0.00 -0.04 0.00 0.00 63.50 62.92 1xwn n PRO 6 Cb 0.18 -0.61 -0.02 0.00 -0.04 0.00 0.00 33.50 33.00 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 -3.74 -5.02 -3.70 3.54 -0.08 -1.26 -4.98 116.55 101.31 1xwn n ASP 7 Ca 0.05 0.10 -0.11 0.00 -1.51 0.00 0.00 54.79 53.33 1xwn n ASP 7 Cb 0.21 -4.09 -0.11 0.00 2.34 0.00 0.00 41.12 39.48 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1xwn s SER 8 N -2.39 -0.51 0.00 1.67 0.01 -1.26 -5.05 113.70 106.17 1xwn s SER 8 Ca 0.00 0.89 0.00 0.00 1.31 0.00 0.00 55.95 58.15 1xwn s SER 8 Cb 0.00 0.78 0.00 0.00 0.21 0.00 0.00 66.02 67.01 1xwn s SER 8 CO 0.00 -0.19 0.00 -2.67 0.41 0.00 0.00 173.24 170.79 1xwn n TRP 9 N 4.15 0.00 -2.82 2.43 4.27 -1.26 -5.04 117.44 119.17 1xwn n TRP 9 Ca -0.23 0.00 -0.43 0.00 -3.89 0.00 0.00 57.50 52.96 1xwn n TRP 9 Cb 0.55 0.21 -0.04 0.00 -1.36 0.00 0.00 31.31 30.67 1xwn n TRP 9 CO 0.00 0.00 0.00 -1.14 -2.29 0.00 0.00 177.69 174.26 1xwn s GLN 10 N -1.67 3.82 0.06 -2.67 0.74 -1.26 -5.00 119.66 113.67 1xwn s GLN 10 Ca 0.00 0.54 -0.31 0.00 0.05 0.00 0.00 55.36 55.65 1xwn s GLN 10 Cb 0.00 -3.81 -0.10 0.00 1.10 0.00 0.00 33.01 30.21 1xwn s GLN 10 CO 0.00 -0.95 1.93 -2.30 -0.55 0.00 0.00 175.29 173.43 1xwn n PRO 11 N 6.75 2.82 0.23 1.67 -0.02 -1.26 -4.89 135.00 140.30 1xwn n PRO 11 Ca 0.07 1.03 0.15 0.00 -2.02 0.00 0.00 63.50 62.73 1xwn n PRO 11 Cb 0.48 -2.97 0.53 0.00 -0.02 0.00 0.00 33.50 31.53 1xwn n PRO 11 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1xwn h PRO 12 N 9.96 0.00 -6.50 0.52 0.13 -1.93 -3.45 132.00 130.73 1xwn h PRO 12 Ca -0.49 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.11 1xwn h PRO 12 Cb 1.24 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 1xwn h PRO 12 CO 0.94 0.00 0.02 1.21 -0.23 0.00 0.00 178.00 179.94 1xwn s ASN 13 N -5.53 6.88 0.05 1.44 3.84 -1.26 -2.28 114.94 118.08 1xwn s ASN 13 Ca 0.03 1.22 0.03 0.00 0.21 0.00 0.00 52.86 54.36 1xwn s ASN 13 Cb 0.08 -2.34 -0.03 0.00 -0.55 0.00 0.00 41.25 38.41 1xwn s ASN 13 CO 0.55 -0.00 -0.10 0.68 -2.79 0.00 0.00 177.10 175.44 1xwn s VAL 14 N -1.63 0.71 -0.19 -5.21 -7.23 -0.74 -2.19 120.40 103.91 1xwn s VAL 14 Ca 0.44 -1.13 -0.03 0.00 -1.81 0.00 0.00 61.98 59.45 1xwn s VAL 14 Cb -0.14 -0.74 -0.01 0.00 0.56 0.00 0.00 36.38 36.05 1xwn s VAL 14 CO 0.20 -0.33 -0.07 -0.31 -0.31 0.00 0.00 175.10 174.28 1xwn s TYR 15 N -1.33 2.92 -0.63 2.82 2.02 -0.46 -2.50 117.35 120.19 1xwn s TYR 15 Ca -0.07 -0.83 -0.09 0.00 -0.37 0.00 0.00 57.07 55.71 1xwn s TYR 15 Cb -0.10 -2.02 0.16 0.00 -0.40 0.00 0.00 41.96 39.61 1xwn s TYR 15 CO 0.01 -0.42 0.51 -0.51 -1.57 0.00 0.00 175.55 173.56 1xwn s LEU 16 N 1.07 5.88 -0.49 -1.29 1.43 -1.05 -2.20 118.68 122.04 1xwn s LEU 16 Ca 0.01 -2.44 -0.29 0.00 -1.03 0.00 0.00 54.13 50.38 1xwn s LEU 16 Cb -0.15 -2.03 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1xwn s LEU 16 CO -0.01 -0.56 1.13 -1.61 0.23 0.00 0.00 176.35 175.53 1xwn s GLU 17 N 0.56 3.68 0.23 1.70 2.02 0.76 -2.99 118.70 124.65 1xwn s GLU 17 Ca 0.13 0.49 0.11 0.00 0.02 0.00 0.00 54.97 55.72 1xwn s GLU 17 Cb -0.20 -3.92 -0.05 0.00 0.10 0.00 0.00 34.13 30.06 1xwn s GLU 17 CO -0.04 -1.41 -0.18 0.95 0.02 0.00 0.00 175.26 174.61 1xwn s THR 18 N 4.46 2.66 0.39 3.63 -4.23 0.22 0.11 115.64 122.88 1xwn s THR 18 Ca 0.47 -2.08 0.08 0.00 -1.18 0.00 0.00 61.69 58.97 1xwn s THR 18 Cb -0.07 -2.34 0.29 0.00 1.34 0.00 0.00 72.50 71.72 1xwn s THR 18 CO 0.31 -0.24 1.99 -1.28 -0.54 0.00 0.00 174.62 174.86 1xwn h SER 19 N 2.69 0.54 -0.21 3.99 0.87 -0.30 -1.13 113.55 120.01 1xwn h SER 19 Ca -0.44 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.01 1xwn h SER 19 Cb 1.23 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 63.06 1xwn h SER 19 CO 0.54 0.36 -0.23 -0.03 -0.53 0.00 0.00 176.83 176.94 1xwn h MET 20 N 0.62 0.67 0.00 2.24 1.85 -1.72 -3.47 114.93 115.12 1xwn h MET 20 Ca 0.26 -0.26 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 1xwn h MET 20 Cb 0.24 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.24 1xwn h MET 20 CO -0.08 0.84 0.00 0.41 -0.40 0.00 0.00 176.91 177.69 1xwn n GLY 21 N -0.29 -0.54 3.03 1.39 0.00 -0.43 -5.09 105.19 103.26 1xwn n GLY 21 Ca 0.00 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 44.93 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 -3.06 1.42 -0.08 -0.61 2.07 -1.26 -0.61 121.20 119.07 1xwn s ILE 22 Ca 0.00 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.69 1xwn s ILE 22 Cb 0.00 -1.32 0.00 0.00 0.13 0.00 0.00 42.46 41.28 1xwn s ILE 22 CO 0.00 0.43 -0.19 0.27 -1.91 0.00 0.00 174.94 173.54 1xwn s ILE 23 N 1.11 1.66 -0.24 2.00 -4.36 -1.16 -4.88 121.20 115.33 1xwn s ILE 23 Ca -0.04 -0.80 -0.17 0.00 -0.26 0.00 0.00 60.65 59.37 1xwn s ILE 23 Cb -0.14 -1.45 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 1xwn s ILE 23 CO -0.03 0.47 0.48 -0.69 0.24 0.00 0.00 174.94 175.41 1xwn s VAL 24 N 0.39 5.11 0.18 8.37 1.01 0.21 -2.53 120.40 133.14 1xwn s VAL 24 Ca -0.15 0.84 0.10 0.00 0.00 0.00 0.00 61.98 62.76 1xwn s VAL 24 Cb -0.16 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1xwn s VAL 24 CO 0.06 0.14 -0.20 -0.76 0.00 0.00 0.00 175.10 174.34 1xwn s LEU 25 N 1.94 2.44 -0.13 3.92 1.43 -1.04 -3.07 118.68 124.16 1xwn s LEU 25 Ca 0.21 -0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 52.44 1xwn s LEU 25 Cb -0.15 -0.95 -0.02 0.00 0.03 0.00 0.00 46.19 45.10 1xwn s LEU 25 CO 0.09 0.02 -0.11 -0.70 0.23 0.00 0.00 176.35 175.88 1xwn s GLU 26 N -2.75 3.42 -0.15 1.70 2.12 -1.17 -1.80 118.70 120.08 1xwn s GLU 26 Ca 0.17 -0.65 -0.06 0.00 0.36 0.00 0.00 54.97 54.80 1xwn s GLU 26 Cb -0.07 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.60 1xwn s GLU 26 CO 0.08 0.24 0.06 -0.51 -0.54 0.00 0.00 175.26 174.59 1xwn s LEU 27 N 0.31 3.86 -0.75 2.70 1.43 -0.96 -2.22 118.68 123.05 1xwn s LEU 27 Ca -0.09 0.17 -0.26 0.00 -1.03 0.00 0.00 54.13 52.92 1xwn s LEU 27 Cb -0.15 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1xwn s LEU 27 CO 0.05 0.26 1.46 -0.31 0.23 0.00 0.00 176.35 178.05 1xwn s TYR 28 N -0.18 2.14 -0.88 0.29 1.51 -1.22 -4.83 117.35 114.18 1xwn s TYR 28 Ca 0.07 0.09 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1xwn s TYR 28 Cb -0.12 -4.49 0.09 0.00 -0.11 0.00 0.00 41.96 37.34 1xwn s TYR 28 CO 0.01 -2.10 0.66 -2.67 -1.11 0.00 0.00 175.55 170.34 1xwn n TRP 29 N 10.31 0.24 -0.01 2.71 4.27 -1.26 -1.99 117.44 131.71 1xwn n TRP 29 Ca 0.12 -0.11 -0.01 0.00 -3.89 0.00 0.00 57.50 53.61 1xwn n TRP 29 Cb 0.50 -0.15 -0.00 0.00 -1.36 0.00 0.00 31.31 30.29 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 0.08 0.05 -0.00 -2.67 4.76 -1.26 -4.52 118.16 114.60 1xwn n LYS 30 Ca 0.03 0.02 0.10 0.00 -2.87 0.00 0.00 58.31 55.59 1xwn n LYS 30 Cb 0.37 -0.59 -0.13 0.00 -1.84 0.00 0.00 35.03 32.84 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1xwn n HIS 31 N -2.70 0.00 0.87 2.13 8.25 -1.26 -4.41 115.22 118.11 1xwn n HIS 31 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.57 1xwn n HIS 31 Cb 0.05 -0.16 0.13 0.00 1.12 0.00 0.00 29.99 31.13 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 -1.73 2.45 -0.32 -1.41 0.00 -0.84 -4.63 120.51 114.03 1xwn n ALA 32 Ca 0.01 -0.75 0.31 0.00 0.00 0.00 0.00 53.44 53.02 1xwn n ALA 32 Cb 0.39 -0.83 0.58 0.00 0.00 0.00 0.00 19.45 19.59 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 4.62 0.02 0.30 0.00 0.11 -1.76 0.62 132.00 135.91 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 0.99 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 1xwn h PRO 33 CO 0.00 0.01 -0.19 -0.22 -0.21 0.00 0.00 178.00 177.39 1xwn h LYS 34 N 0.02 -0.47 -0.18 1.05 1.63 -1.92 -0.51 116.57 116.19 1xwn h LYS 34 Ca 0.84 0.03 -0.15 0.00 -0.85 0.00 0.00 60.65 60.53 1xwn h LYS 34 Cb 2.22 0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 33.94 1xwn h LYS 34 CO -0.76 -0.31 -0.52 1.15 -3.45 0.00 0.00 179.45 175.56 1xwn h THR 35 N -0.48 1.32 0.14 1.00 2.02 -0.90 -2.70 112.91 113.30 1xwn h THR 35 Ca -0.03 -1.76 0.01 0.00 0.77 0.00 0.00 66.41 65.41 1xwn h THR 35 Cb 0.41 1.75 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1xwn h THR 35 CO 0.02 0.54 -0.21 0.00 0.37 0.00 0.00 175.52 176.25 1xwn h LYS 37 N -0.41 0.78 -0.63 0.00 3.64 -1.12 -2.33 116.57 116.51 1xwn h LYS 37 Ca 0.02 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.41 1xwn h LYS 37 Cb 0.42 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.00 1xwn h LYS 37 CO -0.10 0.55 0.30 -0.97 -2.27 0.00 0.00 179.45 176.96 1xwn h ASN 38 N 0.79 0.40 0.80 4.20 -0.73 -1.12 0.67 115.58 120.59 1xwn h ASN 38 Ca 0.21 0.05 -0.04 0.00 1.87 0.00 0.00 56.30 58.39 1xwn h ASN 38 Cb -0.05 -0.02 0.01 0.00 0.27 0.00 0.00 38.32 38.53 1xwn h ASN 38 CO -0.04 0.25 -0.38 0.15 -0.37 0.00 0.00 177.43 177.03 1xwn h PHE 39 N 0.55 -1.00 -0.54 0.67 3.04 -0.60 -1.33 116.94 117.73 1xwn h PHE 39 Ca 0.30 -0.02 -0.05 0.00 3.98 0.00 0.00 57.97 62.18 1xwn h PHE 39 Cb 0.28 0.33 -0.02 0.00 2.56 0.00 0.00 35.95 39.10 1xwn h PHE 39 CO -0.12 -0.61 0.16 0.00 -2.02 0.00 0.00 178.31 175.72 1xwn h ALA 40 N -0.91 0.71 -0.40 2.41 0.00 -1.25 -2.73 119.26 117.09 1xwn h ALA 40 Ca -0.11 -0.20 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1xwn h ALA 40 Cb 0.83 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1xwn h ALA 40 CO 0.18 0.38 0.16 1.49 0.00 0.00 0.00 179.25 181.46 1xwn h GLU 41 N 0.75 0.32 -0.84 0.00 4.81 0.36 0.82 114.58 120.80 1xwn h GLU 41 Ca 0.17 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.37 1xwn h GLU 41 Cb 0.29 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.56 1xwn h GLU 41 CO -0.00 0.21 0.49 1.25 -0.73 0.00 0.00 179.01 180.23 1xwn h LEU 42 N 0.33 1.03 0.00 1.64 5.85 -1.15 -1.73 115.31 121.28 1xwn h LEU 42 Ca 0.18 -0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.65 1xwn h LEU 42 Cb 0.14 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 1xwn h LEU 42 CO -0.17 0.81 -0.87 0.00 -0.34 0.00 0.00 178.44 177.87 1xwn h ALA 43 N 1.36 0.49 0.01 1.25 0.00 -1.09 -1.67 119.26 119.60 1xwn h ALA 43 Ca 0.30 -0.77 -0.00 0.00 0.00 0.00 0.00 54.91 54.44 1xwn h ALA 43 Cb -0.01 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1xwn h ALA 43 CO -0.05 1.04 -0.00 -0.09 0.00 0.00 0.00 179.25 180.14 1xwn h ARG 44 N 0.00 -0.01 -0.37 0.00 2.43 0.11 -3.16 114.38 113.38 1xwn h ARG 44 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 1xwn h ARG 44 Cb 1.64 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.17 1xwn h ARG 44 CO 0.10 0.40 0.20 0.07 -1.51 0.00 0.00 179.97 179.24 1xwn h ARG 45 N -0.42 0.49 0.00 0.20 0.11 -1.46 -3.46 114.38 109.84 1xwn h ARG 45 Ca -0.00 -0.04 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1xwn h ARG 45 Cb 0.42 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1xwn h ARG 45 CO 0.00 0.36 0.00 0.41 0.10 0.00 0.00 179.97 180.84 1xwn n GLY 46 N -1.38 0.77 1.13 0.08 0.00 -1.19 -5.09 105.19 99.52 1xwn n GLY 46 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.12 -0.20 1.61 4.02 -0.64 -4.81 117.16 117.02 1xwn n TYR 47 Ca 0.00 0.02 0.01 0.00 -0.01 0.00 0.00 57.90 57.92 1xwn n TYR 47 Cb 0.00 0.06 0.10 0.00 -0.02 0.00 0.00 39.34 39.48 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 0.12 -2.18 -0.72 -1.99 -1.76 -3.40 116.97 107.04 1xwn h TYR 48 Ca 0.00 0.04 -0.56 0.00 2.00 0.00 0.00 58.73 60.21 1xwn h TYR 48 Cb 0.51 0.04 0.01 0.00 2.00 0.00 0.00 36.73 39.29 1xwn h TYR 48 CO 0.00 -0.07 1.37 -0.80 -0.00 0.00 0.00 178.16 178.65 1xwn s ASN 49 N -5.27 5.92 0.00 3.88 0.01 -1.26 -2.49 114.94 115.73 1xwn s ASN 49 Ca -0.13 2.24 0.00 0.00 -0.71 0.00 0.00 52.86 54.26 1xwn s ASN 49 Cb 0.18 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.32 1xwn s ASN 49 CO 0.74 -1.54 0.00 0.61 -1.51 0.00 0.00 177.10 175.40 1xwn n GLY 50 N 5.19 1.24 2.05 0.66 0.00 -0.67 -4.99 105.19 108.67 1xwn n GLY 50 Ca 0.25 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.60 2.61 5.66 -1.04 -4.83 114.28 113.08 1xwn n THR 51 Ca 0.00 -0.35 -0.12 0.00 -3.05 0.00 0.00 64.05 60.53 1xwn n THR 51 Cb 0.00 -1.29 -0.06 0.00 -1.55 0.00 0.00 70.33 67.42 1xwn n THR 51 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 1xwn s LYS 52 N -4.48 0.68 -0.17 1.09 -2.85 -1.26 -1.40 119.74 111.34 1xwn s LYS 52 Ca 0.41 0.45 -0.29 0.00 -1.00 0.00 0.00 55.97 55.55 1xwn s LYS 52 Cb -0.03 0.32 -0.05 0.00 -2.06 0.00 0.00 37.83 36.01 1xwn s LYS 52 CO 0.31 -0.15 2.06 -0.06 0.10 0.00 0.00 175.35 177.60 1xwn s PHE 53 N -0.42 1.35 -0.17 1.78 0.08 -1.22 -4.74 117.98 114.65 1xwn s PHE 53 Ca -0.01 0.31 -0.15 0.00 0.12 0.00 0.00 56.93 57.20 1xwn s PHE 53 Cb -0.03 -4.03 -0.11 0.00 -0.57 0.00 0.00 43.02 38.28 1xwn s PHE 53 CO 0.00 -4.21 0.08 0.45 -0.10 0.00 0.00 175.22 171.43 1xwn h HIS 54 N 13.35 0.00 -3.54 0.36 3.86 -1.91 -3.46 115.15 123.81 1xwn h HIS 54 Ca -0.42 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.19 1xwn h HIS 54 Cb 1.22 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 29.59 1xwn h HIS 54 CO 0.94 0.70 0.49 1.03 0.86 0.00 0.00 177.93 181.95 1xwn s ARG 55 N -2.23 3.73 -0.61 2.45 3.00 -1.25 -4.69 118.95 119.34 1xwn s ARG 55 Ca -0.20 0.35 0.04 0.00 0.00 0.00 0.00 55.73 55.93 1xwn s ARG 55 Cb 0.03 -3.83 0.15 0.00 0.00 0.00 0.00 34.95 31.30 1xwn s ARG 55 CO 0.39 -0.96 0.38 0.42 0.00 0.00 0.00 175.30 175.53 1xwn s ILE 56 N 3.34 2.73 -0.89 1.52 -1.09 -1.25 -3.02 121.20 122.54 1xwn s ILE 56 Ca 0.34 -3.81 -0.18 0.00 -2.23 0.00 0.00 60.65 54.77 1xwn s ILE 56 Cb -0.12 -2.84 0.15 0.00 -1.58 0.00 0.00 42.46 38.06 1xwn s ILE 56 CO 0.19 -0.91 1.03 -0.63 -1.23 0.00 0.00 174.94 173.40 1xwn s ILE 57 N -0.89 4.90 0.70 2.92 1.01 -1.06 -4.68 121.20 124.09 1xwn s ILE 57 Ca 0.21 -1.70 -0.16 0.00 0.00 0.00 0.00 60.65 59.01 1xwn s ILE 57 Cb -0.15 -4.70 0.02 0.00 0.01 0.00 0.00 42.46 37.64 1xwn s ILE 57 CO -0.09 -1.40 1.21 -0.75 0.00 0.00 0.00 174.94 173.92 1xwn s LYS 58 N 2.22 2.32 -1.14 2.79 2.36 -1.26 -1.93 119.74 125.11 1xwn s LYS 58 Ca 0.29 1.79 0.00 0.00 -2.55 0.00 0.00 55.97 55.50 1xwn s LYS 58 Cb -0.07 -1.85 0.00 0.00 -1.05 0.00 0.00 37.83 34.86 1xwn s LYS 58 CO -0.08 -1.70 0.00 -3.47 1.55 0.00 0.00 175.35 171.65 1xwn n ASP 59 N -2.45 -4.09 0.00 1.43 -0.08 -1.26 -4.74 116.55 105.35 1xwn n ASP 59 Ca 0.14 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.51 1xwn n ASP 59 Cb 0.50 -3.10 0.00 0.00 2.34 0.00 0.00 41.12 40.86 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 -3.57 0.00 -3.84 -0.67 7.35 -1.18 -4.88 117.46 110.66 1xwn n PHE 60 Ca -0.14 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.48 1xwn n PHE 60 Cb 0.54 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.36 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 1.75 -0.06 -4.13 0.23 -0.81 -2.37 119.30 113.91 1xwn s MET 61 Ca 0.00 -0.96 -0.03 0.00 -1.03 0.00 0.00 55.69 53.67 1xwn s MET 61 Cb 0.00 0.60 0.03 0.00 -1.53 0.00 0.00 34.83 33.93 1xwn s MET 61 CO 0.00 -0.80 0.13 0.96 -2.03 0.00 0.00 175.02 173.28 1xwn s ILE 62 N -3.89 -0.04 0.13 3.16 -4.36 -1.00 -2.56 121.20 112.64 1xwn s ILE 62 Ca 0.11 0.13 0.10 0.00 -0.26 0.00 0.00 60.65 60.73 1xwn s ILE 62 Cb -0.06 -0.21 -0.04 0.00 1.25 0.00 0.00 42.46 43.41 1xwn s ILE 62 CO 0.06 0.05 -0.22 0.00 0.24 0.00 0.00 174.94 175.07 1xwn s GLN 63 N 0.85 1.60 -0.16 0.37 -2.07 -1.17 0.35 119.66 119.43 1xwn s GLN 63 Ca -0.07 -1.29 -0.04 0.00 -1.82 0.00 0.00 55.36 52.15 1xwn s GLN 63 Cb -0.09 -2.00 0.08 0.00 -1.09 0.00 0.00 33.01 29.92 1xwn s GLN 63 CO -0.04 0.46 0.25 0.20 -1.32 0.00 0.00 175.29 174.84 1xwn s GLY 64 N -2.17 -0.09 0.37 2.60 0.00 0.19 -3.93 107.32 104.30 1xwn s GLY 64 Ca 0.17 0.69 -0.14 0.00 0.00 0.00 0.00 44.72 45.43 1xwn s GLY 64 CO 0.08 2.07 0.76 0.61 0.00 0.00 0.00 173.10 176.62 1xwn n GLY 65 N 5.34 1.02 2.21 0.20 0.00 -1.26 -3.20 105.19 109.50 1xwn n GLY 65 Ca -0.06 -1.24 -0.00 0.00 0.00 0.00 0.00 46.02 44.72 1xwn n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xwn n ASP 66 N -1.50 -4.62 -2.20 1.61 -0.08 -1.26 -4.89 116.55 103.60 1xwn n ASP 66 Ca -0.08 -0.04 -0.21 0.00 -1.51 0.00 0.00 54.79 52.95 1xwn n ASP 66 Cb 0.57 -2.95 -0.03 0.00 2.34 0.00 0.00 41.12 41.04 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 1xwn n PRO 67 N -1.37 2.11 0.00 -0.67 -0.05 -1.26 -4.10 135.00 129.67 1xwn n PRO 67 Ca -0.00 -1.90 0.00 0.00 -0.05 0.00 0.00 63.50 61.55 1xwn n PRO 67 Cb 0.50 -1.91 0.00 0.00 -0.05 0.00 0.00 33.50 32.04 1xwn n PRO 67 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 175.50 173.08 1xwn n THR 68 N 0.81 0.00 -1.10 0.52 5.66 -1.26 -4.52 114.28 114.38 1xwn n THR 68 Ca 0.40 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 61.03 1xwn n THR 68 Cb 0.59 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.33 1xwn n THR 68 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1xwn n GLY 69 N -0.53 2.99 0.08 1.09 0.00 -1.21 -4.40 105.19 103.22 1xwn n GLY 69 Ca 0.00 -1.20 0.02 0.00 0.00 0.00 0.00 46.02 44.85 1xwn n GLY 69 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xwn n THR 70 N 5.30 0.94 0.00 2.61 -1.04 -1.26 -4.93 114.28 115.90 1xwn n THR 70 Ca 0.49 -0.66 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 1xwn n THR 70 Cb 0.32 -0.52 0.00 0.00 -1.82 0.00 0.00 70.33 68.30 1xwn n THR 70 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1xwn n GLY 71 N 1.39 0.41 0.00 3.41 0.00 -1.26 -5.05 105.19 104.10 1xwn n GLY 71 Ca -0.10 -0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.89 1xwn n GLY 71 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1xwn h ARG 72 N 0.00 -0.00 -2.99 1.61 3.08 -1.92 -3.49 114.38 110.67 1xwn h ARG 72 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 1xwn h ARG 72 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1xwn h ARG 72 CO 0.00 -0.00 0.23 0.20 -1.07 0.00 0.00 179.97 179.33 1xwn s GLY 73 N -1.66 -0.32 -0.28 0.04 0.00 -1.26 -5.11 107.32 98.72 1xwn s GLY 73 Ca -0.00 0.04 0.01 0.00 0.00 0.00 0.00 44.72 44.78 1xwn s GLY 73 CO 0.00 0.02 0.41 -0.32 0.00 0.00 0.00 173.10 173.21 1xwn s GLY 74 N -2.85 -0.56 -0.02 0.20 0.00 -1.26 -3.30 107.32 99.53 1xwn s GLY 74 Ca 0.07 0.33 0.01 0.00 0.00 0.00 0.00 44.72 45.12 1xwn s GLY 74 CO -0.02 3.00 -0.03 0.00 0.00 0.00 0.00 173.10 176.06 1xwn s ALA 75 N 2.55 0.41 0.87 3.20 0.00 -1.26 -4.90 121.76 122.62 1xwn s ALA 75 Ca 0.10 -0.01 -0.07 0.00 0.00 0.00 0.00 51.96 51.99 1xwn s ALA 75 Cb -0.13 -0.25 0.12 0.00 0.00 0.00 0.00 23.12 22.85 1xwn s ALA 75 CO -0.28 0.00 0.71 0.45 0.00 0.00 0.00 175.76 176.64 1xwn n SER 76 N 3.68 0.29 -0.03 0.00 2.88 -0.12 -4.97 113.62 115.35 1xwn n SER 76 Ca -0.22 -1.40 -0.13 0.00 -1.33 0.00 0.00 58.87 55.79 1xwn n SER 76 Cb 0.53 -0.52 -0.01 0.00 -0.75 0.00 0.00 64.21 63.46 1xwn n SER 76 CO 0.00 0.00 0.00 0.16 -1.23 0.00 0.00 175.04 173.97 1xwn h ILE 77 N -1.15 1.30 0.03 2.46 3.07 -2.00 -3.23 117.51 117.99 1xwn h ILE 77 Ca -0.23 -1.82 -0.24 0.00 1.55 0.00 0.00 64.86 64.12 1xwn h ILE 77 Cb 0.70 1.77 -0.02 0.00 -0.27 0.00 0.00 36.82 38.99 1xwn h ILE 77 CO 0.19 0.58 -1.15 1.88 -1.05 0.00 0.00 178.15 178.60 1xwn h TYR 78 N 0.55 0.11 0.00 0.16 0.05 -1.99 -3.50 116.97 112.36 1xwn h TYR 78 Ca -0.00 -0.08 0.00 0.00 0.05 0.00 0.00 58.73 58.69 1xwn h TYR 78 Cb 1.19 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1xwn h TYR 78 CO 0.06 1.07 0.00 0.41 -1.05 0.00 0.00 178.16 178.66 1xwn n GLY 79 N 1.42 -0.38 0.12 3.88 0.00 -1.22 -4.99 105.19 104.03 1xwn n GLY 79 Ca -0.04 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 1xwn n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xwn n LYS 80 N 0.00 0.64 -4.27 1.61 4.76 -1.26 -0.94 118.16 118.71 1xwn n LYS 80 Ca 0.00 0.37 -0.15 0.00 -2.87 0.00 0.00 58.31 55.66 1xwn n LYS 80 Cb 0.00 -1.67 -0.10 0.00 -1.84 0.00 0.00 35.03 31.42 1xwn n LYS 80 CO 0.00 0.00 0.00 1.14 -1.37 0.00 0.00 177.40 177.17 1xwn s GLN 81 N -2.47 1.14 0.10 1.97 1.03 -1.26 -4.73 119.66 115.44 1xwn s GLN 81 Ca -0.29 -1.53 -0.26 0.00 0.04 0.00 0.00 55.36 53.32 1xwn s GLN 81 Cb 0.08 -0.51 0.08 0.00 0.03 0.00 0.00 33.01 32.69 1xwn s GLN 81 CO 0.63 -0.03 0.88 -0.59 -2.54 0.00 0.00 175.29 173.64 1xwn s PHE 82 N -3.45 -0.26 1.05 9.60 -0.71 -1.18 -4.88 117.98 118.14 1xwn s PHE 82 Ca 0.22 0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 55.95 1xwn s PHE 82 Cb 0.04 0.60 0.26 0.00 -1.21 0.00 0.00 43.02 42.71 1xwn s PHE 82 CO 0.03 -0.75 0.88 0.39 -1.34 0.00 0.00 175.22 174.43 1xwn n GLU 83 N -0.37 -3.01 -4.30 1.99 1.02 -1.26 -2.93 120.64 111.77 1xwn n GLU 83 Ca -0.08 -1.41 -0.25 0.00 -0.02 0.00 0.00 57.16 55.39 1xwn n GLU 83 Cb 0.61 -1.39 -0.09 0.00 -0.02 0.00 0.00 31.44 30.56 1xwn n GLU 83 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xwn s ASP 84 N -3.80 4.31 -0.36 1.62 -1.08 -1.26 -4.77 116.67 111.33 1xwn s ASP 84 Ca 0.58 -0.63 0.01 0.00 -0.52 0.00 0.00 52.55 51.99 1xwn s ASP 84 Cb -0.06 -0.74 0.11 0.00 -1.46 0.00 0.00 42.92 40.77 1xwn s ASP 84 CO 0.45 0.07 0.13 -1.61 0.52 0.00 0.00 175.17 174.73 1xwn s GLU 85 N -3.15 1.04 0.02 4.34 8.01 -1.26 -5.11 118.70 122.59 1xwn s GLU 85 Ca 0.27 -1.51 0.02 0.00 0.01 0.00 0.00 54.97 53.76 1xwn s GLU 85 Cb -0.08 -2.35 -0.01 0.00 -4.31 0.00 0.00 34.13 27.38 1xwn s GLU 85 CO 0.17 -1.03 -0.07 -1.17 0.01 0.00 0.00 175.26 173.17 1xwn s LEU 86 N 1.10 2.14 -0.22 1.80 2.96 -1.26 -4.81 118.68 120.39 1xwn s LEU 86 Ca 0.12 -0.34 -0.09 0.00 -0.22 0.00 0.00 54.13 53.60 1xwn s LEU 86 Cb -0.20 -0.26 0.09 0.00 0.50 0.00 0.00 46.19 46.32 1xwn s LEU 86 CO -0.15 -0.06 0.49 -2.28 -1.32 0.00 0.00 176.35 173.04 1xwn s HIS 87 N -0.77 -0.90 -0.84 5.38 2.46 -1.26 -5.09 115.29 114.28 1xwn s HIS 87 Ca -0.03 1.71 -0.21 0.00 0.47 0.00 0.00 55.06 56.99 1xwn s HIS 87 Cb -0.06 0.43 -0.19 0.00 -0.13 0.00 0.00 32.58 32.63 1xwn s HIS 87 CO 0.00 -0.50 2.22 -2.30 -2.47 0.00 0.00 174.74 171.69 1xwn n PRO 88 N 5.07 0.33 -1.51 2.88 -0.02 -1.26 -4.39 135.00 136.11 1xwn n PRO 88 Ca -0.13 -0.81 -0.05 0.00 -2.02 0.00 0.00 63.50 60.49 1xwn n PRO 88 Cb 0.51 -3.07 -0.01 0.00 -0.02 0.00 0.00 33.50 30.91 1xwn n PRO 88 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xwn n ASP 89 N 15.64 -1.12 -2.38 2.55 -0.08 -1.26 -5.15 116.55 124.75 1xwn n ASP 89 Ca 0.47 -2.03 -0.11 0.00 -1.51 0.00 0.00 54.79 51.61 1xwn n ASP 89 Cb 0.39 0.41 -0.04 0.00 2.34 0.00 0.00 41.12 44.22 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 -0.48 0.00 -4.37 -2.67 4.32 -1.26 -5.18 117.00 107.36 1xwn n LEU 90 Ca -0.24 -1.97 -0.29 0.00 -0.02 0.00 0.00 56.01 53.49 1xwn n LEU 90 Cb 0.75 1.28 -0.14 0.00 -1.62 0.00 0.00 43.42 43.69 1xwn n LEU 90 CO -0.14 -0.37 -0.57 -0.75 -1.22 0.00 0.00 177.39 174.34 1xwn s LYS 91 N -2.75 1.51 -0.46 3.23 2.47 -1.26 -5.10 119.74 117.40 1xwn s LYS 91 Ca 0.23 -1.27 0.04 0.00 -1.56 0.00 0.00 55.97 53.41 1xwn s LYS 91 Cb 0.01 -1.91 0.17 0.00 -1.46 0.00 0.00 37.83 34.64 1xwn s LYS 91 CO 0.17 0.47 0.37 0.34 0.16 0.00 0.00 175.35 176.85 1xwn n PHE 92 N 1.18 -0.28 0.08 4.03 -0.00 -1.26 -4.95 117.46 116.26 1xwn n PHE 92 Ca -0.18 -3.46 -0.07 0.00 -0.00 0.00 0.00 57.45 53.74 1xwn n PHE 92 Cb 0.53 0.12 -0.06 0.00 -0.00 0.00 0.00 39.48 40.07 1xwn n PHE 92 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.76 178.55 1xwn h THR 93 N 4.55 1.62 0.00 -2.13 1.35 -1.95 -3.38 112.91 112.97 1xwn h THR 93 Ca 0.25 -3.06 0.00 0.00 -0.55 0.00 0.00 66.41 63.05 1xwn h THR 93 Cb 0.88 2.69 0.00 0.00 -1.73 0.00 0.00 68.15 70.00 1xwn h THR 93 CO 0.43 0.88 0.00 0.61 -0.25 0.00 0.00 175.52 177.18 1xwn n GLY 94 N 1.13 2.48 3.56 5.82 0.00 -1.26 -3.84 105.19 113.07 1xwn n GLY 94 Ca -0.02 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.87 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 0.00 2.10 0.00 4.61 0.00 -1.23 -3.43 121.76 123.80 1xwn s ALA 95 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.76 1xwn s ALA 95 Cb 0.00 -4.27 0.00 0.00 0.00 0.00 0.00 23.12 18.85 1xwn s ALA 95 CO 0.00 -3.87 0.00 0.41 0.00 0.00 0.00 175.76 172.30 1xwn n GLY 96 N 5.78 -0.11 3.00 0.00 0.00 0.13 -4.96 105.19 109.03 1xwn n GLY 96 Ca 0.27 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 0.75 -0.52 -0.61 -1.09 -1.15 -2.85 121.20 112.89 1xwn s ILE 97 Ca 0.00 -0.36 -0.03 0.00 -2.23 0.00 0.00 60.65 58.03 1xwn s ILE 97 Cb 0.00 -0.65 0.14 0.00 -1.58 0.00 0.00 42.46 40.36 1xwn s ILE 97 CO 0.00 0.23 0.33 -0.22 -1.23 0.00 0.00 174.94 174.05 1xwn s LEU 98 N 0.07 5.24 0.01 2.97 2.96 -0.87 -2.52 118.68 126.54 1xwn s LEU 98 Ca -0.01 -2.47 0.04 0.00 -0.22 0.00 0.00 54.13 51.46 1xwn s LEU 98 Cb -0.07 -1.84 -0.03 0.00 0.50 0.00 0.00 46.19 44.74 1xwn s LEU 98 CO 0.00 -0.45 -0.08 0.00 -1.32 0.00 0.00 176.35 174.50 1xwn s ALA 99 N 0.50 2.96 -0.16 5.97 0.00 -1.22 0.75 121.76 130.56 1xwn s ALA 99 Ca 0.13 -1.04 -0.29 0.00 0.00 0.00 0.00 51.96 50.76 1xwn s ALA 99 Cb -0.22 -1.08 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 1xwn s ALA 99 CO -0.04 0.61 1.05 1.41 0.00 0.00 0.00 175.76 178.79 1xwn s MET 100 N -1.39 4.34 0.72 0.00 1.75 0.32 -2.94 119.30 122.09 1xwn s MET 100 Ca 0.17 1.41 -0.11 0.00 -1.25 0.00 0.00 55.69 55.91 1xwn s MET 100 Cb -0.11 -3.60 0.03 0.00 2.84 0.00 0.00 34.83 33.99 1xwn s MET 100 CO 0.07 -0.49 1.09 0.00 -0.65 0.00 0.00 175.02 175.04 1xwn s ALA 101 N 2.64 2.90 -0.07 4.11 0.00 -1.20 -2.11 121.76 128.02 1xwn s ALA 101 Ca 0.47 -0.48 -0.09 0.00 0.00 0.00 0.00 51.96 51.86 1xwn s ALA 101 Cb -0.17 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.03 1xwn s ALA 101 CO 0.13 -1.23 0.24 0.54 0.00 0.00 0.00 175.76 175.44 1xwn s ASN 102 N -4.41 -0.21 -0.03 0.00 4.22 -1.26 -4.56 114.94 108.68 1xwn s ASN 102 Ca 0.59 0.37 -0.14 0.00 -2.14 0.00 0.00 52.86 51.53 1xwn s ASN 102 Cb -0.11 0.45 -0.32 0.00 1.28 0.00 0.00 41.25 42.55 1xwn s ASN 102 CO 0.50 -0.16 0.76 0.00 -2.04 0.00 0.00 177.10 176.17 1xwn h ALA 103 N 5.37 0.04 -3.00 3.54 0.00 -1.90 -3.50 119.26 119.82 1xwn h ALA 103 Ca -0.27 -1.01 -0.04 0.00 0.00 0.00 0.00 54.91 53.59 1xwn h ALA 103 Cb 1.19 0.35 0.01 0.00 0.00 0.00 0.00 17.79 19.34 1xwn h ALA 103 CO 0.36 0.84 0.26 0.20 0.00 0.00 0.00 179.25 180.91 1xwn s GLY 104 N -4.89 0.46 0.06 0.00 0.00 -1.15 -5.05 107.32 96.75 1xwn s GLY 104 Ca -0.14 -0.83 -0.30 0.00 0.00 0.00 0.00 44.72 43.44 1xwn s GLY 104 CO 0.87 -0.36 1.84 2.56 0.00 0.00 0.00 173.10 178.00 1xwn s PRO 105 N -2.16 4.15 -1.76 2.90 0.04 -1.26 -1.65 135.00 135.27 1xwn s PRO 105 Ca 0.16 2.52 0.00 0.00 0.04 0.00 0.00 61.00 63.72 1xwn s PRO 105 Cb -0.05 -3.86 0.00 0.00 0.04 0.00 0.00 34.50 30.63 1xwn s PRO 105 CO 0.12 -0.87 0.00 -0.25 0.04 0.00 0.00 177.00 176.04 1xwn n ASP 106 N 6.56 -5.68 -3.46 6.66 9.92 -1.26 -4.94 116.55 124.35 1xwn n ASP 106 Ca 0.18 0.04 -0.27 0.00 -0.53 0.00 0.00 54.79 54.21 1xwn n ASP 106 Cb 0.40 -4.73 -0.10 0.00 -0.64 0.00 0.00 41.12 36.05 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 -2.97 0.69 0.30 -3.53 2.01 -0.66 -3.11 115.64 108.37 1xwn s THR 107 Ca 0.00 -2.87 0.07 0.00 0.31 0.00 0.00 61.69 59.19 1xwn s THR 107 Cb 0.00 -1.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.01 1xwn s THR 107 CO 0.00 -1.21 0.35 0.20 -0.69 0.00 0.00 174.62 173.27 1xwn s ASN 108 N -0.15 5.79 0.00 3.53 0.01 -1.16 -2.80 114.94 120.16 1xwn s ASN 108 Ca 0.32 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.24 1xwn s ASN 108 Cb 0.03 -1.34 0.00 0.00 0.41 0.00 0.00 41.25 40.35 1xwn s ASN 108 CO -0.19 -0.26 0.00 0.61 -1.51 0.00 0.00 177.10 175.75 1xwn n GLY 109 N -1.43 3.91 2.66 0.66 0.00 -1.26 -4.21 105.19 105.51 1xwn n GLY 109 Ca -0.04 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.46 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 2.27 -4.77 1.61 7.64 -1.26 -5.08 113.62 114.03 1xwn n SER 110 Ca 0.00 -2.46 -0.22 0.00 1.01 0.00 0.00 58.87 57.20 1xwn n SER 110 Cb 0.00 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.69 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 -3.69 2.66 0.13 1.43 -0.21 -1.26 -3.99 119.66 114.73 1xwn s GLN 111 Ca 0.32 -1.24 -0.14 0.00 0.02 0.00 0.00 55.36 54.32 1xwn s GLN 111 Cb 0.35 -2.40 0.02 0.00 1.00 0.00 0.00 33.01 31.99 1xwn s GLN 111 CO -0.02 0.31 0.36 -0.59 -2.12 0.00 0.00 175.29 173.23 1xwn s PHE 112 N -2.24 -0.04 -0.03 0.91 -0.12 -1.19 -3.26 117.98 112.00 1xwn s PHE 112 Ca 0.34 -0.31 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1xwn s PHE 112 Cb -0.07 0.17 0.02 0.00 -0.63 0.00 0.00 43.02 42.52 1xwn s PHE 112 CO 0.24 -0.70 -0.00 -0.59 -0.05 0.00 0.00 175.22 174.11 1xwn s PHE 113 N -3.85 0.34 -0.43 3.49 -0.71 -1.15 -0.63 117.98 115.04 1xwn s PHE 113 Ca 0.06 -0.02 -0.14 0.00 -1.04 0.00 0.00 56.93 55.79 1xwn s PHE 113 Cb 0.02 -0.41 0.05 0.00 -1.21 0.00 0.00 43.02 41.47 1xwn s PHE 113 CO -0.09 -0.13 0.32 0.08 -1.34 0.00 0.00 175.22 174.06 1xwn s VAL 114 N 0.94 5.07 0.22 -2.49 1.01 0.16 -3.40 120.40 121.90 1xwn s VAL 114 Ca -0.10 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.68 1xwn s VAL 114 Cb -0.13 -3.92 -0.08 0.00 0.00 0.00 0.00 36.38 32.24 1xwn s VAL 114 CO -0.01 -0.42 0.95 -0.89 0.00 0.00 0.00 175.10 174.73 1xwn s THR 115 N 1.63 4.13 -0.06 3.92 2.01 -1.05 -2.37 115.64 123.85 1xwn s THR 115 Ca 0.04 2.06 0.06 0.00 0.31 0.00 0.00 61.69 64.16 1xwn s THR 115 Cb -0.21 -4.31 -0.08 0.00 0.01 0.00 0.00 72.50 67.90 1xwn s THR 115 CO 0.08 0.46 0.15 0.00 -0.69 0.00 0.00 174.62 174.61 1xwn n LEU 116 N 1.74 0.06 -4.68 4.42 -0.00 -1.00 0.17 117.00 117.70 1xwn n LEU 116 Ca -0.01 -0.11 -0.23 0.00 -0.00 0.00 0.00 56.01 55.66 1xwn n LEU 116 Cb 0.47 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.82 1xwn n LEU 116 CO 0.50 0.01 -0.27 0.00 -0.00 0.00 0.00 177.39 177.64 1xwn s ALA 117 N -2.21 3.31 -0.02 1.47 0.00 -1.13 -3.89 121.76 119.28 1xwn s ALA 117 Ca -0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 51.96 49.87 1xwn s ALA 117 Cb 0.04 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.42 1xwn s ALA 117 CO 0.24 0.14 1.53 -1.25 0.00 0.00 0.00 175.76 176.42 1xwn s PRO 118 N -3.75 4.22 -0.43 0.00 0.04 -1.26 -3.55 135.00 130.28 1xwn s PRO 118 Ca 0.35 2.09 0.07 0.00 0.04 0.00 0.00 61.00 63.55 1xwn s PRO 118 Cb -0.04 -3.76 0.24 0.00 0.04 0.00 0.00 34.50 30.99 1xwn s PRO 118 CO 0.21 -0.72 0.65 0.25 0.04 0.00 0.00 177.00 177.42 1xwn n THR 119 N 5.06 -0.46 -0.20 1.26 -2.24 -1.25 -4.96 114.28 111.50 1xwn n THR 119 Ca 0.15 -3.10 -0.06 0.00 -2.27 0.00 0.00 64.05 58.77 1xwn n THR 119 Cb 0.43 -0.72 0.09 0.00 -2.10 0.00 0.00 70.33 68.03 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 4.03 1.01 0.00 -0.78 4.20 -1.85 -2.36 115.11 119.35 1xwn h GLN 120 Ca -0.00 -0.25 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 1xwn h GLN 120 Cb 0.93 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.58 1xwn h GLN 120 CO 0.41 0.92 -0.08 0.11 -0.67 0.00 0.00 178.83 179.52 1xwn h TRP 121 N 0.95 0.00 0.00 2.96 0.09 -1.93 -1.75 115.95 116.27 1xwn h TRP 121 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.17 1xwn h TRP 121 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.64 1xwn h TRP 121 CO 0.03 0.08 0.00 -0.07 0.09 0.00 0.00 178.44 178.57 1xwn h LEU 122 N 0.00 0.00 -8.04 0.11 3.38 -1.83 -3.39 115.31 105.53 1xwn h LEU 122 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1xwn h LEU 122 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1xwn h LEU 122 CO 0.01 0.00 0.82 -0.62 0.09 0.00 0.00 178.44 178.74 1xwn s ASP 123 N -4.54 4.73 0.00 -0.43 2.15 -0.66 -2.67 116.67 115.25 1xwn s ASP 123 Ca -0.00 -1.35 0.00 0.00 0.43 0.00 0.00 52.55 51.62 1xwn s ASP 123 Cb 0.09 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 40.12 1xwn s ASP 123 CO 0.34 -3.35 0.00 0.61 -0.17 0.00 0.00 175.17 172.60 1xwn n GLY 124 N 6.05 0.71 0.14 2.66 0.00 -1.26 -4.99 105.19 108.49 1xwn n GLY 124 Ca 0.44 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 46.28 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 0.40 -5.98 1.61 1.57 -1.80 -3.44 116.57 108.93 1xwn h LYS 125 Ca 0.00 -0.24 -0.68 0.00 -1.87 0.00 0.00 60.65 57.86 1xwn h LYS 125 Cb 0.00 0.02 -0.25 0.00 0.08 0.00 0.00 32.23 32.08 1xwn h LYS 125 CO 0.00 0.82 -0.78 -1.01 -0.57 0.00 0.00 179.45 177.91 1xwn s HIS 126 N -4.14 2.71 0.67 -1.35 3.76 -1.25 -4.83 115.29 110.87 1xwn s HIS 126 Ca -0.14 -0.36 -0.11 0.00 -0.15 0.00 0.00 55.06 54.30 1xwn s HIS 126 Cb 0.05 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 32.04 1xwn s HIS 126 CO 0.77 0.03 1.07 -0.08 -0.85 0.00 0.00 174.74 175.67 1xwn s THR 127 N -0.34 4.01 0.80 1.30 -1.32 -0.90 -4.81 115.64 114.38 1xwn s THR 127 Ca 0.03 0.64 -0.06 0.00 -1.21 0.00 0.00 61.69 61.09 1xwn s THR 127 Cb -0.13 -3.64 0.17 0.00 -1.51 0.00 0.00 72.50 67.39 1xwn s THR 127 CO 0.02 -0.85 1.09 0.00 -2.21 0.00 0.00 174.62 172.67 1xwn n ILE 128 N -2.89 0.00 0.00 5.08 3.06 -1.26 0.12 119.36 123.47 1xwn n ILE 128 Ca 0.06 -1.31 0.00 0.00 -2.50 0.00 0.00 62.75 59.00 1xwn n ILE 128 Cb 0.56 -1.14 0.00 0.00 0.54 0.00 0.00 39.64 39.60 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 -3.17 0.00 -3.98 9.51 1.16 -1.05 -3.52 117.46 116.40 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 0.57 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.42 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 -0.32 1.79 3.25 4.97 0.00 0.23 -3.43 105.19 111.67 1xwn n GLY 130 Ca 0.00 -1.52 -0.14 0.00 0.00 0.00 0.00 46.02 44.36 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 -2.61 1.08 -0.66 1.61 3.52 -0.94 -2.04 118.95 118.91 1xwn s ARG 131 Ca 0.26 -1.49 -0.00 0.00 -0.13 0.00 0.00 55.73 54.37 1xwn s ARG 131 Cb -0.02 -0.49 0.17 0.00 -1.56 0.00 0.00 34.95 33.04 1xwn s ARG 131 CO 0.18 -0.01 0.47 0.08 -0.81 0.00 0.00 175.30 175.21 1xwn s VAL 132 N -3.45 3.46 -0.01 7.11 1.01 -1.13 -3.04 120.40 124.35 1xwn s VAL 132 Ca 0.19 -3.39 -0.04 0.00 0.00 0.00 0.00 61.98 58.75 1xwn s VAL 132 Cb 0.04 -3.26 -0.28 0.00 0.00 0.00 0.00 36.38 32.88 1xwn s VAL 132 CO 0.02 -0.91 0.80 0.00 0.00 0.00 0.00 175.10 175.00 1xwn s GLN 134 N -2.61 0.22 0.00 0.00 0.74 -1.18 -4.88 119.66 111.96 1xwn s GLN 134 Ca -0.11 -0.34 0.00 0.00 0.05 0.00 0.00 55.36 54.97 1xwn s GLN 134 Cb 0.07 -1.05 0.00 0.00 1.10 0.00 0.00 33.01 33.12 1xwn s GLN 134 CO 0.85 -0.98 0.00 0.41 -0.55 0.00 0.00 175.29 175.02 1xwn n GLY 135 N 5.27 0.16 0.46 2.59 0.00 -1.26 0.64 105.19 113.05 1xwn n GLY 135 Ca -0.05 0.00 0.28 0.00 0.00 0.00 0.00 46.02 46.25 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 0.55 0.00 -0.61 2.10 -1.90 0.40 117.51 118.05 1xwn h ILE 136 Ca 0.00 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.92 1xwn h ILE 136 Cb 0.00 0.48 0.00 0.00 -1.09 0.00 0.00 36.82 36.21 1xwn h ILE 136 CO 0.00 0.01 0.00 0.61 -1.08 0.00 0.00 178.15 177.69 1xwn n GLY 137 N -1.69 -1.11 0.10 8.18 0.00 -1.26 -1.30 105.19 108.11 1xwn n GLY 137 Ca 0.20 0.09 -0.12 0.00 0.00 0.00 0.00 46.02 46.18 1xwn n GLY 137 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1xwn n MET 138 N -2.11 0.68 0.06 1.61 0.00 0.14 -3.65 117.12 113.84 1xwn n MET 138 Ca 0.01 0.10 -0.08 0.00 -0.00 0.00 0.00 57.70 57.73 1xwn n MET 138 Cb 0.17 -1.59 -0.12 0.00 0.00 0.00 0.00 33.22 31.68 1xwn n MET 138 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 175.97 175.58 1xwn h VAL 139 N 0.01 1.60 0.08 1.12 -1.51 -1.35 -3.28 116.25 112.92 1xwn h VAL 139 Ca -0.49 -3.30 -0.25 0.00 -1.23 0.00 0.00 66.70 61.42 1xwn h VAL 139 Cb 2.12 2.82 -0.00 0.00 -2.13 0.00 0.00 31.29 34.10 1xwn h VAL 139 CO 0.02 0.92 -1.14 -0.55 -1.23 0.00 0.00 177.57 175.60 1xwn h ASN 140 N 0.01 0.33 0.25 4.19 -1.07 -1.40 -3.28 115.58 114.61 1xwn h ASN 140 Ca -0.06 -0.34 -0.05 0.00 0.07 0.00 0.00 56.30 55.93 1xwn h ASN 140 Cb 1.82 -0.11 -0.01 0.00 -2.07 0.00 0.00 38.32 37.96 1xwn h ASN 140 CO 0.13 1.24 -0.23 0.08 0.07 0.00 0.00 177.43 178.73 1xwn h ARG 141 N 0.07 0.00 -0.65 4.14 0.11 -1.66 -2.57 114.38 113.81 1xwn h ARG 141 Ca -0.10 0.00 0.08 0.00 0.10 0.00 0.00 59.98 60.06 1xwn h ARG 141 Cb 1.86 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.90 1xwn h ARG 141 CO 0.18 0.23 0.43 0.28 0.10 0.00 0.00 179.97 181.19 1xwn h VAL 142 N 0.00 0.95 0.02 0.08 2.07 -1.62 -1.85 116.25 115.91 1xwn h VAL 142 Ca -0.00 -0.20 -0.26 0.00 0.82 0.00 0.00 66.70 67.06 1xwn h VAL 142 Cb 0.42 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 1xwn h VAL 142 CO 0.03 0.10 -1.39 1.23 0.02 0.00 0.00 177.57 177.56 1xwn h GLY 143 N 0.57 0.04 2.00 2.17 0.00 -1.64 -3.33 103.07 102.88 1xwn h GLY 143 Ca 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1xwn h GLY 143 CO -0.09 0.08 -0.05 -0.33 0.00 0.00 0.00 176.54 176.15 1xwn h MET 144 N 0.01 0.00 -1.30 4.80 2.07 -1.11 -2.61 114.93 116.79 1xwn h MET 144 Ca -0.17 0.00 -0.08 0.00 -2.07 0.00 0.00 59.70 57.38 1xwn h MET 144 Cb 1.91 0.00 -0.04 0.00 -1.87 0.00 0.00 31.60 31.60 1xwn h MET 144 CO 0.11 0.05 0.10 1.55 1.07 0.00 0.00 176.91 179.80 1xwn n VAL 145 N -4.10 1.63 -1.30 -2.22 3.14 -1.02 -4.98 118.33 109.48 1xwn n VAL 145 Ca -0.03 -0.47 0.17 0.00 -2.96 0.00 0.00 64.34 61.05 1xwn n VAL 145 Cb 0.14 -1.11 -0.06 0.00 -1.06 0.00 0.00 33.84 31.75 1xwn n VAL 145 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1xwn n GLU 146 N 0.58 -2.80 -4.08 1.45 1.02 -0.98 -4.58 120.64 111.24 1xwn n GLU 146 Ca 0.09 2.06 -0.12 0.00 -0.02 0.00 0.00 57.16 59.17 1xwn n GLU 146 Cb 0.62 -3.35 -0.06 0.00 -0.02 0.00 0.00 31.44 28.62 1xwn n GLU 146 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1xwn s THR 147 N -3.00 0.00 0.58 2.62 -4.23 -1.26 -4.01 115.64 106.34 1xwn s THR 147 Ca 0.00 -1.63 -0.07 0.00 -1.18 0.00 0.00 61.69 58.81 1xwn s THR 147 Cb 0.00 -2.40 0.13 0.00 1.34 0.00 0.00 72.50 71.56 1xwn s THR 147 CO 0.00 0.00 0.79 0.59 -0.54 0.00 0.00 174.62 175.46 1xwn n ASN 148 N -0.64 0.41 -1.78 3.99 3.02 -0.23 -4.94 115.26 115.08 1xwn n ASN 148 Ca 0.00 -1.50 -0.15 0.00 -0.03 0.00 0.00 54.58 52.90 1xwn n ASN 148 Cb 0.63 -0.58 0.07 0.00 -0.61 0.00 0.00 39.78 39.30 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xwn n SER 149 N -3.31 4.82 -1.92 6.41 3.41 -1.26 -3.89 113.62 117.88 1xwn n SER 149 Ca 0.11 -2.98 -0.03 0.00 -0.26 0.00 0.00 58.87 55.72 1xwn n SER 149 Cb 0.39 -0.84 0.05 0.00 -0.26 0.00 0.00 64.21 63.54 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xwn n GLN 150 N -0.10 0.72 -3.52 4.33 10.64 -1.26 -5.02 117.38 123.17 1xwn n GLN 150 Ca 0.32 -0.88 -0.23 0.00 -1.83 0.00 0.00 57.00 54.38 1xwn n GLN 150 Cb 0.88 0.39 0.05 0.00 -0.86 0.00 0.00 30.24 30.70 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 1xwn n ASP 151 N -0.82 -4.94 -4.11 2.61 9.92 -1.25 -5.01 116.55 112.94 1xwn n ASP 151 Ca -0.16 -0.86 -0.26 0.00 -0.53 0.00 0.00 54.79 52.98 1xwn n ASP 151 Cb 0.73 -4.23 -0.16 0.00 -0.64 0.00 0.00 41.12 36.82 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 -5.38 1.79 0.17 -1.24 6.06 -1.26 -3.91 118.95 115.18 1xwn s ARG 152 Ca 0.37 -0.56 -0.30 0.00 -2.50 0.00 0.00 55.73 52.74 1xwn s ARG 152 Cb -0.09 -1.52 -0.08 0.00 0.06 0.00 0.00 34.95 33.32 1xwn s ARG 152 CO 0.80 0.18 1.25 -1.25 -2.50 0.00 0.00 175.30 173.79 1xwn s PRO 153 N 0.21 4.43 0.19 5.12 0.04 -1.26 -1.07 135.00 142.66 1xwn s PRO 153 Ca -0.07 1.94 -0.02 0.00 0.04 0.00 0.00 61.00 62.90 1xwn s PRO 153 Cb -0.13 -3.24 0.09 0.00 0.04 0.00 0.00 34.50 31.27 1xwn s PRO 153 CO 0.03 -0.19 1.47 0.28 0.04 0.00 0.00 177.00 178.62 1xwn h VAL 154 N 3.87 1.36 -3.48 -0.36 2.07 -1.81 -3.46 116.25 114.45 1xwn h VAL 154 Ca -0.44 -2.01 -0.16 0.00 0.82 0.00 0.00 66.70 64.92 1xwn h VAL 154 Cb 1.21 1.99 0.04 0.00 -1.52 0.00 0.00 31.29 33.01 1xwn h VAL 154 CO 0.77 0.61 0.08 -0.67 0.02 0.00 0.00 177.57 178.38 1xwn n ASP 155 N -3.88 0.30 -4.20 0.57 -0.08 -1.26 -5.06 116.55 102.93 1xwn n ASP 155 Ca -0.04 -1.30 -0.38 0.00 -1.51 0.00 0.00 54.79 51.56 1xwn n ASP 155 Cb 0.66 -0.28 -0.11 0.00 2.34 0.00 0.00 41.12 43.73 1xwn n ASP 155 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 1xwn s ASP 156 N -2.53 5.35 -0.16 1.67 -4.77 -1.26 -5.07 116.67 109.89 1xwn s ASP 156 Ca 0.24 -1.63 0.02 0.00 -3.30 0.00 0.00 52.55 47.88 1xwn s ASP 156 Cb -0.01 -1.87 0.02 0.00 -1.09 0.00 0.00 42.92 39.96 1xwn s ASP 156 CO 0.17 -0.48 -0.20 0.54 0.70 0.00 0.00 175.17 175.89 1xwn s VAL 157 N 1.29 2.09 0.17 2.11 0.11 -1.26 -4.15 120.40 120.76 1xwn s VAL 157 Ca 0.03 -0.95 -0.19 0.00 -2.93 0.00 0.00 61.98 57.95 1xwn s VAL 157 Cb -0.22 -1.86 0.04 0.00 -1.53 0.00 0.00 36.38 32.81 1xwn s VAL 157 CO -0.01 0.54 0.52 -1.59 -3.33 0.00 0.00 175.10 171.23 1xwn s LYS 158 N 1.09 1.29 -0.18 1.54 0.00 -1.26 -3.46 119.74 118.77 1xwn s LYS 158 Ca -0.00 -0.74 -0.13 0.00 0.00 0.00 0.00 55.97 55.11 1xwn s LYS 158 Cb -0.14 0.53 -0.05 0.00 0.00 0.00 0.00 37.83 38.17 1xwn s LYS 158 CO -0.08 -0.54 0.25 0.42 0.00 0.00 0.00 175.35 175.40 1xwn s ILE 159 N -3.83 5.33 -0.10 3.79 1.01 -0.49 0.48 121.20 127.39 1xwn s ILE 159 Ca 0.06 0.44 0.03 0.00 0.00 0.00 0.00 60.65 61.18 1xwn s ILE 159 Cb -0.00 -3.59 -0.08 0.00 0.01 0.00 0.00 42.46 38.80 1xwn s ILE 159 CO -0.07 0.39 -0.05 2.30 0.00 0.00 0.00 174.94 177.50 1xwn n ILE 160 N 3.67 0.59 -3.86 2.92 -5.35 -0.88 -1.66 119.36 114.78 1xwn n ILE 160 Ca -0.13 -0.27 -0.11 0.00 -0.27 0.00 0.00 62.75 61.97 1xwn n ILE 160 Cb 0.52 -0.84 -0.10 0.00 -1.74 0.00 0.00 39.64 37.48 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 -2.21 0.52 -0.42 6.28 1.02 0.12 -4.55 119.74 120.51 1xwn s LYS 161 Ca -0.11 -0.42 0.07 0.00 0.02 0.00 0.00 55.97 55.54 1xwn s LYS 161 Cb 0.03 0.22 0.18 0.00 -0.52 0.00 0.00 37.83 37.74 1xwn s LYS 161 CO 0.27 -0.13 0.59 0.00 -0.92 0.00 0.00 175.35 175.17 1xwn s ALA 162 N -1.52 -1.93 0.14 5.17 0.00 -1.26 -0.17 121.76 122.18 1xwn s ALA 162 Ca -0.14 -0.12 0.08 0.00 0.00 0.00 0.00 51.96 51.78 1xwn s ALA 162 Cb -0.07 -2.60 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 1xwn s ALA 162 CO 0.01 -2.21 -0.18 1.52 0.00 0.00 0.00 175.76 174.91 1xwn s TYR 163 N 1.63 1.69 0.25 0.00 -0.85 -0.93 -4.58 117.35 114.55 1xwn s TYR 163 Ca 0.18 -0.48 -0.29 0.00 -0.52 0.00 0.00 57.07 55.96 1xwn s TYR 163 Cb -0.05 -0.87 -0.09 0.00 0.38 0.00 0.00 41.96 41.32 1xwn s TYR 163 CO -0.06 0.25 0.93 -1.25 -1.52 0.00 0.00 175.55 173.90 1xwn s PRO 164 N -2.54 4.80 -0.21 -3.49 0.04 -1.26 -1.35 135.00 131.00 1xwn s PRO 164 Ca 0.11 1.45 -0.31 0.00 0.04 0.00 0.00 61.00 62.29 1xwn s PRO 164 Cb -0.07 -3.21 0.15 0.00 0.04 0.00 0.00 34.50 31.42 1xwn s PRO 164 CO 0.05 0.49 1.17 -1.12 0.04 0.00 0.00 177.00 177.63 1xwn s SER 165 N -1.24 -0.19 0.00 6.66 0.01 -0.93 -4.86 113.70 113.14 1xwn s SER 165 Ca 0.42 0.16 0.26 0.00 1.31 0.00 0.00 55.95 58.10 1xwn s SER 165 Cb -0.25 0.17 1.52 0.00 0.21 0.00 0.00 66.02 67.68 1xwn s SER 165 CO 0.30 -0.22 1.88 0.61 0.41 0.00 0.00 173.24 176.23