#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 2.73 -2.91 -5.12 0.00 -1.26 -5.05 120.51 108.90 1xwn n ALA 2 Ca 0.00 -0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.00 1xwn n ALA 2 Cb 0.00 0.24 -0.13 0.00 0.00 0.00 0.00 19.45 19.56 1xwn n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xwn s ALA 3 N -2.11 2.80 -0.67 0.00 0.00 -1.26 -5.06 121.76 115.46 1xwn s ALA 3 Ca -0.04 -0.87 0.05 0.00 0.00 0.00 0.00 51.96 51.10 1xwn s ALA 3 Cb 0.01 -1.30 0.25 0.00 0.00 0.00 0.00 23.12 22.08 1xwn s ALA 3 CO 0.06 0.31 0.79 1.51 0.00 0.00 0.00 175.76 178.43 1xwn n ILE 4 N 3.23 2.56 -1.40 0.00 0.13 -1.26 -5.09 119.36 117.53 1xwn n ILE 4 Ca -0.18 -5.27 -0.29 0.00 -1.10 0.00 0.00 62.75 55.91 1xwn n ILE 4 Cb 0.53 -2.10 0.18 0.00 -0.84 0.00 0.00 39.64 37.41 1xwn n ILE 4 CO 0.00 0.00 0.00 -2.16 2.80 0.00 0.00 176.55 177.19 1xwn s PRO 5 N -2.51 0.21 0.58 9.51 0.04 -1.26 -4.91 135.00 136.67 1xwn s PRO 5 Ca 0.39 0.11 0.28 0.00 0.04 0.00 0.00 61.00 61.82 1xwn s PRO 5 Cb 0.14 -1.75 1.51 0.00 0.04 0.00 0.00 34.50 34.45 1xwn s PRO 5 CO -0.00 -2.79 1.96 -1.35 0.04 0.00 0.00 177.00 174.85 1xwn h PRO 6 N -1.92 0.00 -5.29 0.56 0.11 -2.05 -3.46 132.00 119.95 1xwn h PRO 6 Ca -0.49 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.38 1xwn h PRO 6 Cb 1.31 0.00 0.18 0.00 0.11 0.00 0.00 31.00 32.60 1xwn h PRO 6 CO 0.49 0.00 -0.79 -0.25 -0.21 0.00 0.00 178.00 177.25 1xwn n ASP 7 N -3.82 -5.72 -0.75 -2.05 8.00 -1.26 -4.76 116.55 106.18 1xwn n ASP 7 Ca 0.07 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.92 1xwn n ASP 7 Cb 0.59 -4.87 0.00 0.00 -0.02 0.00 0.00 41.12 36.82 1xwn n ASP 7 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1xwn n SER 8 N -3.09 -4.71 -3.64 -2.24 2.88 -1.26 -5.09 113.62 96.47 1xwn n SER 8 Ca -0.09 0.58 -0.06 0.00 -1.33 0.00 0.00 58.87 57.96 1xwn n SER 8 Cb 0.62 -1.66 -0.07 0.00 -0.75 0.00 0.00 64.21 62.35 1xwn n SER 8 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 1xwn s TRP 9 N -2.31 -1.05 0.20 0.66 -0.11 -1.26 -5.05 118.94 110.02 1xwn s TRP 9 Ca 0.00 2.08 0.00 0.00 1.22 0.00 0.00 56.10 59.40 1xwn s TRP 9 Cb 0.00 0.63 0.00 0.00 -1.50 0.00 0.00 33.47 32.60 1xwn s TRP 9 CO 0.00 -0.52 0.00 1.04 -4.62 0.00 0.00 176.95 172.85 1xwn n GLN 10 N 4.36 0.00 -2.19 5.86 6.02 -1.26 -5.12 117.38 125.05 1xwn n GLN 10 Ca -0.19 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.37 1xwn n GLN 10 Cb 0.58 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.82 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 -1.80 4.08 0.00 -1.09 0.04 -1.26 -4.90 135.00 130.07 1xwn s PRO 11 Ca 0.00 1.83 0.27 0.00 0.04 0.00 0.00 61.00 63.14 1xwn s PRO 11 Cb 0.00 -3.92 1.51 0.00 0.04 0.00 0.00 34.50 32.13 1xwn s PRO 11 CO 0.00 -0.94 1.95 -0.35 0.04 0.00 0.00 177.00 177.70 1xwn n PRO 12 N 7.12 0.65 -3.33 0.56 -0.04 -1.26 -4.79 135.00 133.91 1xwn n PRO 12 Ca 0.16 0.02 -0.37 0.00 -0.04 0.00 0.00 63.50 63.27 1xwn n PRO 12 Cb 0.44 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.34 1xwn n PRO 12 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xwn s ASN 13 N -2.25 6.91 -0.02 3.54 -0.87 -1.26 -1.29 114.94 119.71 1xwn s ASN 13 Ca 0.34 1.15 0.03 0.00 -1.57 0.00 0.00 52.86 52.81 1xwn s ASN 13 Cb 0.18 -2.32 0.00 0.00 -0.02 0.00 0.00 41.25 39.10 1xwn s ASN 13 CO 0.35 0.17 -0.10 0.68 -2.57 0.00 0.00 177.10 175.63 1xwn s VAL 14 N -1.32 0.87 -0.47 1.60 -7.23 -0.63 -2.90 120.40 110.32 1xwn s VAL 14 Ca 0.34 -0.42 -0.20 0.00 -1.81 0.00 0.00 61.98 59.89 1xwn s VAL 14 Cb -0.17 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.05 1xwn s VAL 14 CO 0.19 0.26 0.65 -0.31 -0.31 0.00 0.00 175.10 175.58 1xwn s TYR 15 N 0.09 3.04 -0.48 2.82 2.02 0.65 -3.09 117.35 122.40 1xwn s TYR 15 Ca -0.02 -0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 56.38 1xwn s TYR 15 Cb -0.08 -3.44 0.12 0.00 -0.40 0.00 0.00 41.96 38.16 1xwn s TYR 15 CO 0.00 -0.95 0.35 -0.51 -1.57 0.00 0.00 175.55 172.87 1xwn s LEU 16 N 2.83 5.68 -0.47 -1.29 1.43 -1.00 -0.68 118.68 125.19 1xwn s LEU 16 Ca 0.20 -1.97 -0.27 0.00 -1.03 0.00 0.00 54.13 51.06 1xwn s LEU 16 Cb -0.16 -2.00 0.03 0.00 0.03 0.00 0.00 46.19 44.09 1xwn s LEU 16 CO 0.17 -0.67 1.05 -0.70 0.23 0.00 0.00 176.35 176.42 1xwn s GLU 17 N 1.28 3.66 0.29 1.70 2.12 0.55 -2.98 118.70 125.31 1xwn s GLU 17 Ca 0.06 0.41 0.09 0.00 0.36 0.00 0.00 54.97 55.90 1xwn s GLU 17 Cb -0.26 -3.91 -0.04 0.00 0.26 0.00 0.00 34.13 30.18 1xwn s GLU 17 CO -0.01 -1.30 0.05 0.95 -0.54 0.00 0.00 175.26 174.41 1xwn s THR 18 N 4.14 3.37 0.29 -1.70 -4.23 0.41 -1.62 115.64 116.29 1xwn s THR 18 Ca 0.43 -1.83 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1xwn s THR 18 Cb -0.08 -2.92 0.18 0.00 1.34 0.00 0.00 72.50 71.02 1xwn s THR 18 CO 0.29 -0.32 1.87 0.77 -0.54 0.00 0.00 174.62 176.69 1xwn h SER 19 N 1.77 0.80 0.42 3.99 4.64 -0.46 -2.18 113.55 122.53 1xwn h SER 19 Ca -0.44 -0.11 -0.09 0.00 -0.47 0.00 0.00 61.79 60.68 1xwn h SER 19 Cb 1.25 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 1xwn h SER 19 CO 0.61 0.73 -0.42 -0.03 -0.87 0.00 0.00 176.83 176.85 1xwn h MET 20 N 0.85 0.00 0.00 4.77 1.85 -1.84 -3.48 114.93 117.09 1xwn h MET 20 Ca 0.20 -0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.29 1xwn h MET 20 Cb 0.19 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.22 1xwn h MET 20 CO -0.02 0.42 0.00 0.41 -0.40 0.00 0.00 176.91 177.33 1xwn n GLY 21 N -0.32 -0.57 2.96 1.39 0.00 -0.82 -5.10 105.19 102.74 1xwn n GLY 21 Ca -0.02 -0.73 -0.23 0.00 0.00 0.00 0.00 46.02 45.04 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 -3.57 0.90 0.02 -0.61 2.07 -1.26 -0.45 121.20 118.31 1xwn s ILE 22 Ca 0.00 -0.33 0.03 0.00 -1.41 0.00 0.00 60.65 58.94 1xwn s ILE 22 Cb 0.00 -0.87 -0.02 0.00 0.13 0.00 0.00 42.46 41.71 1xwn s ILE 22 CO 0.00 0.31 -0.09 0.27 -1.91 0.00 0.00 174.94 173.52 1xwn s ILE 23 N 0.87 0.70 -0.20 2.00 -4.36 -1.16 -4.81 121.20 114.24 1xwn s ILE 23 Ca -0.11 -0.76 -0.00 0.00 -0.26 0.00 0.00 60.65 59.51 1xwn s ILE 23 Cb -0.15 -0.66 0.02 0.00 1.25 0.00 0.00 42.46 42.91 1xwn s ILE 23 CO 0.01 -0.07 -0.15 -0.69 0.24 0.00 0.00 174.94 174.28 1xwn s VAL 24 N -0.77 2.43 0.20 8.37 1.01 0.92 -2.37 120.40 130.18 1xwn s VAL 24 Ca -0.02 -0.88 0.09 0.00 0.00 0.00 0.00 61.98 61.17 1xwn s VAL 24 Cb -0.07 -2.08 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1xwn s VAL 24 CO 0.00 0.46 -0.10 -1.48 0.00 0.00 0.00 175.10 173.98 1xwn s LEU 25 N 1.33 2.93 -0.28 3.92 2.34 -1.18 -3.31 118.68 124.43 1xwn s LEU 25 Ca 0.04 -0.64 -0.05 0.00 0.06 0.00 0.00 54.13 53.54 1xwn s LEU 25 Cb -0.14 -1.59 0.01 0.00 -0.56 0.00 0.00 46.19 43.92 1xwn s LEU 25 CO -0.10 0.09 0.03 -0.70 -1.06 0.00 0.00 176.35 174.61 1xwn s GLU 26 N -2.98 3.01 0.26 1.48 2.12 -0.05 -1.60 118.70 120.94 1xwn s GLU 26 Ca 0.26 -0.90 -0.15 0.00 0.36 0.00 0.00 54.97 54.54 1xwn s GLU 26 Cb -0.08 -3.23 -0.08 0.00 0.26 0.00 0.00 34.13 30.99 1xwn s GLU 26 CO 0.15 -0.42 0.68 -0.51 -0.54 0.00 0.00 175.26 174.62 1xwn s LEU 27 N 1.44 4.19 -0.59 2.70 1.43 -0.41 -1.48 118.68 125.96 1xwn s LEU 27 Ca 0.02 1.24 -0.25 0.00 -1.03 0.00 0.00 54.13 54.11 1xwn s LEU 27 Cb -0.17 -3.79 0.04 0.00 0.03 0.00 0.00 46.19 42.30 1xwn s LEU 27 CO 0.00 -0.08 1.02 -0.31 0.23 0.00 0.00 176.35 177.21 1xwn s TYR 28 N -1.77 2.70 -0.75 0.29 2.02 -1.07 -4.83 117.35 113.94 1xwn s TYR 28 Ca 0.48 -0.01 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 1xwn s TYR 28 Cb -0.13 -4.23 0.10 0.00 -0.40 0.00 0.00 41.96 37.30 1xwn s TYR 28 CO 0.19 -1.50 0.74 -2.67 -1.57 0.00 0.00 175.55 170.75 1xwn n TRP 29 N 7.85 0.29 -0.00 2.71 4.27 -1.26 -2.00 117.44 129.30 1xwn n TRP 29 Ca 0.02 -0.20 -0.00 0.00 -3.89 0.00 0.00 57.50 53.43 1xwn n TRP 29 Cb 0.48 -0.19 -0.00 0.00 -1.36 0.00 0.00 31.31 30.24 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 0.12 0.03 -0.00 -2.67 4.76 -1.26 -4.53 118.16 114.60 1xwn n LYS 30 Ca 0.04 0.01 0.10 0.00 -2.87 0.00 0.00 58.31 55.59 1xwn n LYS 30 Cb 0.42 -0.54 -0.13 0.00 -1.84 0.00 0.00 35.03 32.94 1xwn n LYS 30 CO 0.00 0.00 0.00 1.58 -1.37 0.00 0.00 177.40 177.61 1xwn n HIS 31 N -2.59 0.00 0.94 2.13 -0.00 -1.26 -4.40 115.22 110.03 1xwn n HIS 31 Ca -0.01 0.00 0.12 0.00 0.46 0.00 0.00 57.72 58.30 1xwn n HIS 31 Cb 0.02 -0.18 0.20 0.00 -0.12 0.00 0.00 29.99 29.91 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 -1.76 2.47 -0.38 1.57 0.00 -0.84 -4.59 120.51 116.97 1xwn n ALA 32 Ca 0.01 -0.71 0.33 0.00 0.00 0.00 0.00 53.44 53.07 1xwn n ALA 32 Cb 0.40 -0.89 0.60 0.00 0.00 0.00 0.00 19.45 19.57 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 4.22 0.08 0.33 0.00 0.11 -1.76 0.45 132.00 135.43 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 0.91 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.99 1xwn h PRO 33 CO 0.00 0.05 -0.22 -0.22 -0.21 0.00 0.00 178.00 177.41 1xwn h LYS 34 N 0.08 -0.51 -0.14 1.05 1.63 -1.92 -1.60 116.57 115.15 1xwn h LYS 34 Ca 0.83 0.03 -0.12 0.00 -0.85 0.00 0.00 60.65 60.54 1xwn h LYS 34 Cb 2.35 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 34.08 1xwn h LYS 34 CO -0.59 -0.34 -0.45 1.15 -3.45 0.00 0.00 179.45 175.77 1xwn h THR 35 N -0.53 1.32 0.28 1.00 2.02 -0.85 -2.73 112.91 113.42 1xwn h THR 35 Ca -0.03 -1.62 0.00 0.00 0.77 0.00 0.00 66.41 65.53 1xwn h THR 35 Cb 0.45 1.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.53 1xwn h THR 35 CO 0.02 0.49 -0.33 0.00 0.37 0.00 0.00 175.52 176.08 1xwn h LYS 37 N -0.66 1.16 -0.90 0.00 3.64 -1.33 -2.09 116.57 116.40 1xwn h LYS 37 Ca -0.01 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1xwn h LYS 37 Cb 0.61 -0.24 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 1xwn h LYS 37 CO -0.09 0.84 0.59 -0.97 -2.27 0.00 0.00 179.45 177.55 1xwn h ASN 38 N 1.17 1.03 -0.23 4.20 -0.73 -1.10 0.28 115.58 120.21 1xwn h ASN 38 Ca 0.30 -0.03 -0.03 0.00 1.87 0.00 0.00 56.30 58.42 1xwn h ASN 38 Cb -0.00 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 38.32 1xwn h ASN 38 CO -0.05 0.74 0.04 0.15 -0.37 0.00 0.00 177.43 177.94 1xwn h PHE 39 N 1.21 0.39 -0.38 0.67 3.57 0.03 -1.29 116.94 121.15 1xwn h PHE 39 Ca 0.33 -0.05 -0.13 0.00 3.53 0.00 0.00 57.97 61.64 1xwn h PHE 39 Cb -0.14 -0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 1xwn h PHE 39 CO -0.00 0.49 -0.28 0.00 -2.23 0.00 0.00 178.31 176.29 1xwn h ALA 40 N 0.85 0.55 0.05 2.41 0.00 -1.11 -2.71 119.26 119.31 1xwn h ALA 40 Ca 0.07 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1xwn h ALA 40 Cb 0.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xwn h ALA 40 CO 0.00 0.57 -0.03 0.93 0.00 0.00 0.00 179.25 180.73 1xwn h GLU 41 N 0.67 -0.07 -1.00 0.00 4.39 -0.40 0.23 114.58 118.40 1xwn h GLU 41 Ca 0.07 0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.84 1xwn h GLU 41 Cb 0.86 0.02 -0.07 0.00 -0.10 0.00 0.00 28.75 29.46 1xwn h GLU 41 CO 0.07 0.00 0.64 -0.07 -1.16 0.00 0.00 179.01 178.50 1xwn h LEU 42 N -0.12 1.04 -0.49 1.33 4.07 -1.27 0.29 115.31 120.17 1xwn h LEU 42 Ca -0.01 0.01 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 1xwn h LEU 42 Cb 0.10 -0.22 -0.01 0.00 1.08 0.00 0.00 40.66 41.62 1xwn h LEU 42 CO 0.01 0.67 -0.67 0.00 -1.08 0.00 0.00 178.44 177.38 1xwn h ALA 43 N 1.44 0.68 0.03 1.53 0.00 -1.20 0.46 119.26 122.20 1xwn h ALA 43 Ca 0.43 -0.58 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xwn h ALA 43 Cb 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1xwn h ALA 43 CO -0.17 0.74 -0.01 -0.09 0.00 0.00 0.00 179.25 179.72 1xwn h ARG 44 N 0.27 -0.04 0.00 0.00 2.43 0.27 -3.25 114.38 114.07 1xwn h ARG 44 Ca -0.02 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.15 1xwn h ARG 44 Cb 1.22 0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.78 1xwn h ARG 44 CO 0.11 0.57 -0.03 0.00 -1.51 0.00 0.00 179.97 179.11 1xwn h ARG 45 N -0.69 0.00 0.00 0.20 3.08 -0.53 -3.46 114.38 112.98 1xwn h ARG 45 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1xwn h ARG 45 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 1xwn h ARG 45 CO 0.01 0.03 0.00 0.41 -1.07 0.00 0.00 179.97 179.35 1xwn n GLY 46 N -1.37 1.88 0.14 0.04 0.00 -1.02 -5.03 105.19 99.83 1xwn n GLY 46 Ca -0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.78 1xwn n GLY 46 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1xwn h TYR 47 N 0.00 0.45 -0.03 1.61 -1.99 -0.35 -3.37 116.97 113.30 1xwn h TYR 47 Ca 0.00 -0.33 -0.13 0.00 2.00 0.00 0.00 58.73 60.27 1xwn h TYR 47 Cb 0.00 -0.02 -0.02 0.00 2.00 0.00 0.00 36.73 38.70 1xwn h TYR 47 CO 0.00 1.74 -0.60 1.88 -0.00 0.00 0.00 178.16 181.18 1xwn h TYR 48 N -0.06 0.13 -1.75 4.88 0.05 -1.75 -3.43 116.97 115.03 1xwn h TYR 48 Ca -0.41 -0.05 -0.50 0.00 0.05 0.00 0.00 58.73 57.83 1xwn h TYR 48 Cb 1.95 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 39.67 1xwn h TYR 48 CO 0.08 0.68 1.58 -0.80 -1.05 0.00 0.00 178.16 178.65 1xwn s ASN 49 N -6.87 4.76 0.00 3.88 -0.87 -1.26 -1.44 114.94 113.14 1xwn s ASN 49 Ca -0.02 1.27 0.00 0.00 -1.57 0.00 0.00 52.86 52.53 1xwn s ASN 49 Cb 0.12 -2.50 0.00 0.00 -0.02 0.00 0.00 41.25 38.85 1xwn s ASN 49 CO 0.78 -2.60 0.00 0.61 -2.57 0.00 0.00 177.10 173.31 1xwn n GLY 50 N 5.92 1.49 3.98 0.66 0.00 -1.08 -5.02 105.19 111.14 1xwn n GLY 50 Ca 0.34 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.16 1xwn n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xwn s THR 51 N -2.00 3.14 0.26 2.61 -4.23 -0.52 -4.90 115.64 110.00 1xwn s THR 51 Ca 0.00 -0.75 -0.19 0.00 -1.18 0.00 0.00 61.69 59.58 1xwn s THR 51 Cb 0.00 -3.13 0.01 0.00 1.34 0.00 0.00 72.50 70.72 1xwn s THR 51 CO 0.00 -0.08 0.64 -1.59 -0.54 0.00 0.00 174.62 173.05 1xwn s LYS 52 N -4.57 1.69 -0.58 3.99 -2.85 -1.26 0.64 119.74 116.80 1xwn s LYS 52 Ca 0.54 -1.05 -0.19 0.00 -1.00 0.00 0.00 55.97 54.27 1xwn s LYS 52 Cb -0.10 0.57 0.10 0.00 -2.06 0.00 0.00 37.83 36.33 1xwn s LYS 52 CO 0.36 -0.76 0.69 -0.06 0.10 0.00 0.00 175.35 175.68 1xwn s PHE 53 N -3.94 3.01 -0.14 1.78 0.40 -1.23 -4.29 117.98 113.57 1xwn s PHE 53 Ca 0.14 -0.92 -0.13 0.00 -0.60 0.00 0.00 56.93 55.42 1xwn s PHE 53 Cb -0.04 -3.95 -0.25 0.00 0.51 0.00 0.00 43.02 39.29 1xwn s PHE 53 CO 0.07 -1.25 0.39 1.12 0.70 0.00 0.00 175.22 176.24 1xwn h HIS 54 N 9.15 0.35 -3.48 0.36 2.07 -1.91 -3.45 115.15 118.25 1xwn h HIS 54 Ca -0.29 -0.26 -0.65 0.00 -2.85 0.00 0.00 60.37 56.32 1xwn h HIS 54 Cb 1.09 -0.01 -0.15 0.00 2.57 0.00 0.00 27.41 30.90 1xwn h HIS 54 CO 0.82 1.64 0.21 1.03 -3.07 0.00 0.00 177.93 178.56 1xwn s ARG 55 N -2.49 3.28 -0.00 5.12 0.52 -1.25 -4.52 118.95 119.61 1xwn s ARG 55 Ca -0.23 -0.41 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 1xwn s ARG 55 Cb 0.06 -3.99 -0.01 0.00 0.52 0.00 0.00 34.95 31.53 1xwn s ARG 55 CO 0.72 -1.13 -0.11 0.42 0.02 0.00 0.00 175.30 175.23 1xwn s ILE 56 N 3.01 0.83 -0.22 1.52 -1.09 -1.24 -2.07 121.20 121.93 1xwn s ILE 56 Ca 0.23 -0.48 -0.01 0.00 -2.23 0.00 0.00 60.65 58.16 1xwn s ILE 56 Cb -0.14 -0.70 0.02 0.00 -1.58 0.00 0.00 42.46 40.06 1xwn s ILE 56 CO 0.18 0.21 -0.11 -0.63 -1.23 0.00 0.00 174.94 173.36 1xwn s ILE 57 N -0.30 2.61 0.05 2.92 1.09 -0.71 -4.71 121.20 122.15 1xwn s ILE 57 Ca 0.04 -0.99 -0.32 0.00 -1.10 0.00 0.00 60.65 58.28 1xwn s ILE 57 Cb -0.04 -2.26 -0.11 0.00 -1.06 0.00 0.00 42.46 38.99 1xwn s ILE 57 CO -0.00 0.31 1.87 0.29 -0.10 0.00 0.00 174.94 177.31 1xwn n LYS 58 N 4.65 2.61 -3.27 2.79 5.02 -1.26 -2.39 118.16 126.31 1xwn n LYS 58 Ca -0.18 0.95 -0.15 0.00 -2.02 0.00 0.00 58.31 56.91 1xwn n LYS 58 Cb 0.48 -2.84 0.08 0.00 -0.02 0.00 0.00 35.03 32.72 1xwn n LYS 58 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1xwn n ASP 59 N 6.26 -2.48 0.00 4.39 2.03 -1.25 -4.88 116.55 120.61 1xwn n ASP 59 Ca 0.20 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.94 1xwn n ASP 59 Cb 0.36 -4.69 0.00 0.00 -0.72 0.00 0.00 41.12 36.06 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 1xwn n PHE 60 N -3.75 0.00 -3.84 -0.67 7.35 -1.01 -4.87 117.46 110.68 1xwn n PHE 60 Ca -0.24 0.00 -0.07 0.00 -0.76 0.00 0.00 57.45 56.38 1xwn n PHE 60 Cb 0.65 0.00 -0.01 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 1.84 -0.14 -4.13 0.23 -1.18 -1.38 119.30 114.55 1xwn s MET 61 Ca 0.00 -1.07 -0.01 0.00 -1.03 0.00 0.00 55.69 53.58 1xwn s MET 61 Cb 0.00 0.60 0.04 0.00 -1.53 0.00 0.00 34.83 33.94 1xwn s MET 61 CO 0.00 -0.85 -0.01 0.96 -2.03 0.00 0.00 175.02 173.09 1xwn s ILE 62 N -3.47 0.69 -0.11 3.16 -5.25 -0.67 -1.74 121.20 113.80 1xwn s ILE 62 Ca 0.12 -0.33 -0.04 0.00 -0.99 0.00 0.00 60.65 59.41 1xwn s ILE 62 Cb -0.05 -0.94 -0.04 0.00 2.95 0.00 0.00 42.46 44.38 1xwn s ILE 62 CO 0.08 0.09 0.05 0.00 -1.79 0.00 0.00 174.94 173.37 1xwn s GLN 63 N 1.82 3.27 -0.21 0.37 -2.07 -0.88 -0.62 119.66 121.33 1xwn s GLN 63 Ca 0.02 -0.33 -0.01 0.00 -1.82 0.00 0.00 55.36 53.23 1xwn s GLN 63 Cb -0.15 -2.96 0.06 0.00 -1.09 0.00 0.00 33.01 28.87 1xwn s GLN 63 CO -0.07 0.65 -0.02 0.20 -1.32 0.00 0.00 175.29 174.73 1xwn s GLY 64 N -0.71 1.04 0.38 2.60 0.00 -0.01 -3.84 107.32 106.79 1xwn s GLY 64 Ca 0.12 -1.06 -0.16 0.00 0.00 0.00 0.00 44.72 43.62 1xwn s GLY 64 CO 0.02 1.12 0.81 -0.32 0.00 0.00 0.00 173.10 174.73 1xwn s GLY 65 N 1.59 0.39 -0.54 0.20 0.00 -1.26 -2.93 107.32 104.77 1xwn s GLY 65 Ca -0.03 -0.76 -0.00 0.00 0.00 0.00 0.00 44.72 43.92 1xwn s GLY 65 CO -0.07 -0.20 0.51 1.22 0.00 0.00 0.00 173.10 174.56 1xwn n ASP 66 N -1.47 -6.12 0.00 1.64 9.92 -1.26 -4.89 116.55 114.37 1xwn n ASP 66 Ca -0.08 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 1xwn n ASP 66 Cb 0.60 -4.08 0.00 0.00 -0.64 0.00 0.00 41.12 37.00 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 0.13 0.00 0.00 177.20 176.52 1xwn n PRO 67 N -1.61 0.00 -4.11 -0.24 -0.04 -1.26 -4.91 135.00 122.83 1xwn n PRO 67 Ca -0.00 0.42 -0.30 0.00 -0.04 0.00 0.00 63.50 63.58 1xwn n PRO 67 Cb 0.50 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.57 1xwn n PRO 67 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 1xwn n THR 68 N -1.75 -2.06 0.04 0.52 -1.04 -1.26 -4.83 114.28 103.89 1xwn n THR 68 Ca 0.00 -0.36 0.10 0.00 -2.04 0.00 0.00 64.05 61.75 1xwn n THR 68 Cb 0.00 -2.03 0.55 0.00 -1.82 0.00 0.00 70.33 67.03 1xwn n THR 68 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1xwn h GLY 69 N -1.71 0.34 1.58 3.41 0.00 -1.90 -1.91 103.07 102.88 1xwn h GLY 69 Ca -0.63 -0.11 -0.25 0.00 0.00 0.00 0.00 47.33 46.34 1xwn h GLY 69 CO 0.69 0.09 -1.29 0.00 0.00 0.00 0.00 176.54 176.03 1xwn h THR 70 N 0.28 1.39 -0.25 4.70 1.03 -1.88 -3.48 112.91 114.70 1xwn h THR 70 Ca 0.17 -3.11 0.00 0.00 -0.01 0.00 0.00 66.41 63.46 1xwn h THR 70 Cb 0.32 2.73 0.00 0.00 -1.07 0.00 0.00 68.15 70.14 1xwn h THR 70 CO -0.04 0.82 0.00 0.61 -0.01 0.00 0.00 175.52 176.91 1xwn n GLY 71 N 1.47 0.53 2.10 2.99 0.00 -0.72 -4.89 105.19 106.66 1xwn n GLY 71 Ca -0.08 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.87 0.00 -4.06 1.61 1.74 -1.26 -5.11 116.66 108.70 1xwn n ARG 72 Ca 0.00 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.79 1xwn n ARG 72 Cb 0.50 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.77 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 -3.15 1.00 -0.46 -0.13 0.00 -1.26 -5.06 107.32 98.26 1xwn s GLY 73 Ca 0.00 -0.74 0.06 0.00 0.00 0.00 0.00 44.72 44.03 1xwn s GLY 73 CO 0.00 0.56 0.54 0.61 0.00 0.00 0.00 173.10 174.82 1xwn n GLY 74 N 4.71 0.79 3.72 0.20 0.00 -1.26 -4.81 105.19 108.54 1xwn n GLY 74 Ca -0.16 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 1xwn n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn s ALA 75 N 0.44 3.33 0.75 4.61 0.00 -1.26 -4.86 121.76 124.78 1xwn s ALA 75 Ca 0.32 -1.50 -0.11 0.00 0.00 0.00 0.00 51.96 50.66 1xwn s ALA 75 Cb 0.03 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.17 1xwn s ALA 75 CO -0.13 0.31 1.08 0.45 0.00 0.00 0.00 175.76 177.47 1xwn s SER 76 N -3.58 4.88 0.54 0.00 0.15 0.88 -4.94 113.70 111.63 1xwn s SER 76 Ca 0.31 1.49 0.23 0.00 0.70 0.00 0.00 55.95 58.68 1xwn s SER 76 Cb -0.08 -2.29 1.48 0.00 -1.71 0.00 0.00 66.02 63.42 1xwn s SER 76 CO 0.22 -1.74 2.15 0.16 1.20 0.00 0.00 173.24 175.22 1xwn h ILE 77 N -0.93 0.76 -0.82 6.45 3.07 -1.99 -1.38 117.51 122.68 1xwn h ILE 77 Ca -0.45 -0.20 -0.44 0.00 1.55 0.00 0.00 64.86 65.32 1xwn h ILE 77 Cb 1.24 1.12 -0.25 0.00 -0.27 0.00 0.00 36.82 38.65 1xwn h ILE 77 CO 0.57 0.05 0.56 -1.22 -1.05 0.00 0.00 178.15 177.06 1xwn n TYR 78 N -4.07 2.54 0.00 0.16 4.01 -1.26 -5.03 117.16 113.51 1xwn n TYR 78 Ca -0.03 -1.68 0.00 0.00 -0.16 0.00 0.00 57.90 56.03 1xwn n TYR 78 Cb 0.14 -0.86 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 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 -0.83 0.31 0.04 2.72 0.00 -0.52 -4.62 105.19 102.29 1xwn n GLY 79 Ca 0.50 -1.80 -0.01 0.00 0.00 0.00 0.00 46.02 44.71 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 1.24 -3.77 1.61 -0.00 -1.26 -0.08 118.16 115.90 1xwn n LYS 80 Ca 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 58.31 58.12 1xwn n LYS 80 Cb 0.00 -1.33 -0.11 0.00 -0.00 0.00 0.00 35.03 33.58 1xwn n LYS 80 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.40 178.54 1xwn s GLN 81 N -2.60 0.35 0.38 -1.58 -2.07 -1.26 -4.74 119.66 108.13 1xwn s GLN 81 Ca -0.06 0.42 -0.03 0.00 -1.82 0.00 0.00 55.36 53.87 1xwn s GLN 81 Cb 0.06 0.17 0.08 0.00 -1.09 0.00 0.00 33.01 32.23 1xwn s GLN 81 CO 0.56 -0.04 0.51 1.19 -1.32 0.00 0.00 175.29 176.19 1xwn n PHE 82 N 2.92 -3.51 -3.36 9.60 3.72 -1.24 -4.80 117.46 120.79 1xwn n PHE 82 Ca -0.13 -0.69 -0.26 0.00 -0.05 0.00 0.00 57.45 56.32 1xwn n PHE 82 Cb 0.58 -0.39 -0.08 0.00 -0.94 0.00 0.00 39.48 38.66 1xwn n PHE 82 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1xwn n GLU 83 N -2.02 2.07 -1.15 -1.08 1.02 -1.26 -3.22 120.64 115.00 1xwn n GLU 83 Ca 0.08 -4.30 0.00 0.00 -0.02 0.00 0.00 57.16 52.91 1xwn n GLU 83 Cb 0.27 -1.99 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 1xwn n GLU 83 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1xwn n ASP 84 N 0.98 -6.32 -2.13 1.62 -0.08 -1.26 -4.91 116.55 104.45 1xwn n ASP 84 Ca 0.28 1.21 -0.03 0.00 -1.51 0.00 0.00 54.79 54.74 1xwn n ASP 84 Cb 0.44 -3.38 0.05 0.00 2.34 0.00 0.00 41.12 40.58 1xwn n ASP 84 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1xwn n GLU 85 N -1.81 0.93 -2.05 -0.67 1.02 -1.26 -5.07 120.64 111.72 1xwn n GLU 85 Ca 0.00 -1.56 -0.36 0.00 -0.02 0.00 0.00 57.16 55.22 1xwn n GLU 85 Cb 0.23 0.11 0.03 0.00 -0.02 0.00 0.00 31.44 31.79 1xwn n GLU 85 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 1xwn s LEU 86 N -2.59 3.69 0.10 -4.62 2.96 -1.26 -4.88 118.68 112.08 1xwn s LEU 86 Ca 0.11 2.36 0.01 0.00 -0.22 0.00 0.00 54.13 56.39 1xwn s LEU 86 Cb 0.30 -4.59 -0.04 0.00 0.50 0.00 0.00 46.19 42.37 1xwn s LEU 86 CO -0.08 -1.53 0.25 -1.38 -1.32 0.00 0.00 176.35 172.29 1xwn s HIS 87 N -1.61 3.50 0.00 5.38 -3.43 -1.26 -5.04 115.29 112.83 1xwn s HIS 87 Ca 0.77 0.21 -0.25 0.00 -0.80 0.00 0.00 55.06 54.98 1xwn s HIS 87 Cb -0.30 -1.73 -0.19 0.00 -1.43 0.00 0.00 32.58 28.93 1xwn s HIS 87 CO 0.32 0.55 1.35 -1.00 -2.00 0.00 0.00 174.74 173.96 1xwn h PRO 88 N 2.68 -0.03 -1.96 -0.38 0.13 -2.01 -3.47 132.00 126.95 1xwn h PRO 88 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.63 1xwn h PRO 88 Cb 1.17 0.01 -0.20 0.00 0.13 0.00 0.00 31.00 32.11 1xwn h PRO 88 CO 0.73 0.35 0.21 -0.51 -0.23 0.00 0.00 178.00 178.54 1xwn s ASP 89 N -5.55 -0.66 0.07 1.44 1.01 -1.26 -5.19 116.67 106.54 1xwn s ASP 89 Ca -0.15 0.90 -0.27 0.00 0.71 0.00 0.00 52.55 53.74 1xwn s ASP 89 Cb 0.02 0.79 0.09 0.00 1.01 0.00 0.00 42.92 44.83 1xwn s ASP 89 CO 0.66 -0.48 1.15 -0.76 0.21 0.00 0.00 175.17 175.95 1xwn s LEU 90 N -0.71 -0.06 0.43 1.23 1.43 -1.26 -5.18 118.68 114.56 1xwn s LEU 90 Ca -0.07 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.66 1xwn s LEU 90 Cb -0.02 1.72 -0.03 0.00 0.03 0.00 0.00 46.19 47.90 1xwn s LEU 90 CO 0.07 -0.61 0.69 -0.54 0.23 0.00 0.00 176.35 176.19 1xwn s LYS 91 N -2.49 3.41 -0.43 1.70 1.02 -1.26 -5.06 119.74 116.63 1xwn s LYS 91 Ca 0.18 -0.11 0.08 0.00 0.02 0.00 0.00 55.97 56.14 1xwn s LYS 91 Cb 0.01 -2.50 0.32 0.00 -0.52 0.00 0.00 37.83 35.14 1xwn s LYS 91 CO 0.00 -0.11 0.97 0.34 -0.92 0.00 0.00 175.35 175.63 1xwn n PHE 92 N -2.08 -1.95 -0.14 3.18 7.35 -1.26 -4.98 117.46 117.58 1xwn n PHE 92 Ca -0.01 -2.64 0.03 0.00 -0.76 0.00 0.00 57.45 54.07 1xwn n PHE 92 Cb 0.56 0.97 0.33 0.00 0.35 0.00 0.00 39.48 41.69 1xwn n PHE 92 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 1xwn h THR 93 N 2.39 1.12 0.00 -2.13 1.35 -1.96 -3.30 112.91 110.38 1xwn h THR 93 Ca -0.04 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.54 1xwn h THR 93 Cb 1.05 0.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1xwn h THR 93 CO 0.26 0.15 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 1xwn n GLY 94 N -1.45 3.36 3.42 5.82 0.00 -1.26 -3.81 105.19 111.27 1xwn n GLY 94 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 1xwn n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwn s ALA 95 N -2.90 3.32 -0.40 4.61 0.00 -1.26 -1.44 121.76 123.69 1xwn s ALA 95 Ca 0.00 -1.56 -0.02 0.00 0.00 0.00 0.00 51.96 50.38 1xwn s ALA 95 Cb 0.00 -2.55 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1xwn s ALA 95 CO 0.00 -1.17 0.35 0.41 0.00 0.00 0.00 175.76 175.34 1xwn n GLY 96 N 5.02 0.15 3.41 0.00 0.00 0.72 -4.97 105.19 109.52 1xwn n GLY 96 Ca -0.13 -0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.14 1.94 -0.22 -0.61 -1.09 -1.07 -3.44 121.20 113.57 1xwn s ILE 97 Ca 0.12 -2.24 -0.04 0.00 -2.23 0.00 0.00 60.65 56.26 1xwn s ILE 97 Cb -0.02 -2.26 0.09 0.00 -1.58 0.00 0.00 42.46 38.69 1xwn s ILE 97 CO 0.27 -0.44 0.16 -0.76 -1.23 0.00 0.00 174.94 172.94 1xwn s LEU 98 N -3.42 0.22 0.02 2.97 1.43 -0.90 -1.73 118.68 117.26 1xwn s LEU 98 Ca 0.27 -0.70 0.06 0.00 -1.03 0.00 0.00 54.13 52.72 1xwn s LEU 98 Cb -0.00 -0.03 -0.03 0.00 0.03 0.00 0.00 46.19 46.15 1xwn s LEU 98 CO 0.11 -0.37 -0.15 0.00 0.23 0.00 0.00 176.35 176.17 1xwn s ALA 99 N 2.20 2.71 -0.45 4.21 0.00 -1.06 -0.44 121.76 128.93 1xwn s ALA 99 Ca 0.06 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.62 1xwn s ALA 99 Cb -0.16 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.12 1xwn s ALA 99 CO -0.20 0.58 1.14 1.41 0.00 0.00 0.00 175.76 178.70 1xwn s MET 100 N -1.31 3.76 0.33 0.00 1.75 0.25 -2.40 119.30 121.68 1xwn s MET 100 Ca 0.15 0.65 -0.24 0.00 -1.25 0.00 0.00 55.69 54.99 1xwn s MET 100 Cb -0.11 -3.89 -0.10 0.00 2.84 0.00 0.00 34.83 33.58 1xwn s MET 100 CO 0.05 -1.33 0.92 0.00 -0.65 0.00 0.00 175.02 174.01 1xwn s ALA 101 N 4.39 3.20 0.42 4.11 0.00 -1.18 -3.58 121.76 129.11 1xwn s ALA 101 Ca 0.48 0.45 0.04 0.00 0.00 0.00 0.00 51.96 52.93 1xwn s ALA 101 Cb -0.08 -3.13 -0.04 0.00 0.00 0.00 0.00 23.12 19.87 1xwn s ALA 101 CO 0.30 0.19 0.05 0.54 0.00 0.00 0.00 175.76 176.83 1xwn s ASN 102 N -1.74 3.38 -0.19 0.00 2.20 -1.26 -4.20 114.94 113.13 1xwn s ASN 102 Ca 0.52 -1.54 -0.04 0.00 -0.94 0.00 0.00 52.86 50.85 1xwn s ASN 102 Cb -0.16 0.20 -0.10 0.00 -2.00 0.00 0.00 41.25 39.18 1xwn s ASN 102 CO 0.21 -0.74 -0.20 0.00 -2.94 0.00 0.00 177.10 173.43 1xwn n ALA 103 N -0.99 1.69 -3.83 3.54 0.00 -1.20 -4.96 120.51 114.76 1xwn n ALA 103 Ca -0.09 -0.76 -0.08 0.00 0.00 0.00 0.00 53.44 52.50 1xwn n ALA 103 Cb 0.66 0.17 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1xwn n ALA 103 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1xwn s GLY 104 N -5.54 0.16 0.36 0.00 0.00 -1.09 -5.09 107.32 96.13 1xwn s GLY 104 Ca -0.25 -0.55 -0.27 0.00 0.00 0.00 0.00 44.72 43.64 1xwn s GLY 104 CO 0.37 -0.21 1.16 -1.05 0.00 0.00 0.00 173.10 173.37 1xwn n PRO 105 N -0.50 1.74 -2.59 2.90 -0.02 -1.26 -1.70 135.00 133.56 1xwn n PRO 105 Ca -0.06 0.61 -0.08 0.00 -2.02 0.00 0.00 63.50 61.95 1xwn n PRO 105 Cb 0.59 -2.16 -0.00 0.00 -0.02 0.00 0.00 33.50 31.91 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1xwn n ASP 106 N 0.72 -2.34 -3.27 2.55 5.68 -1.26 -4.86 116.55 113.77 1xwn n ASP 106 Ca 0.07 0.27 -0.14 0.00 -0.50 0.00 0.00 54.79 54.49 1xwn n ASP 106 Cb 0.36 -2.06 -0.06 0.00 -1.14 0.00 0.00 41.12 38.22 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 1xwn s THR 107 N -2.34 -0.41 0.56 2.12 2.01 -0.69 -4.44 115.64 112.45 1xwn s THR 107 Ca 0.05 -1.10 0.04 0.00 0.31 0.00 0.00 61.69 60.99 1xwn s THR 107 Cb -0.03 -0.58 0.06 0.00 0.01 0.00 0.00 72.50 71.96 1xwn s THR 107 CO 0.06 -0.53 0.78 0.20 -0.69 0.00 0.00 174.62 174.44 1xwn s ASN 108 N 1.22 5.14 0.05 3.53 0.01 -1.25 -2.68 114.94 120.95 1xwn s ASN 108 Ca 0.21 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.07 1xwn s ASN 108 Cb -0.10 -0.48 -0.00 0.00 0.41 0.00 0.00 41.25 41.08 1xwn s ASN 108 CO -0.05 -1.24 0.04 0.61 -1.51 0.00 0.00 177.10 174.94 1xwn n GLY 109 N -2.32 3.90 2.60 0.66 0.00 -1.26 -3.72 105.19 105.04 1xwn n GLY 109 Ca 0.11 -1.76 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 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 -2.58 7.12 -4.69 1.61 7.64 -1.26 -4.93 113.62 116.53 1xwn n SER 110 Ca 0.01 -3.80 -0.25 0.00 1.01 0.00 0.00 58.87 55.83 1xwn n SER 110 Cb 0.09 -0.92 -0.08 0.00 -1.01 0.00 0.00 64.21 62.29 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 -3.90 2.16 0.29 1.43 -0.21 -1.26 -4.35 119.66 113.81 1xwn s GLN 111 Ca 0.56 -1.84 -0.20 0.00 0.02 0.00 0.00 55.36 53.90 1xwn s GLN 111 Cb 0.46 -1.93 0.03 0.00 1.00 0.00 0.00 33.01 32.57 1xwn s GLN 111 CO -0.22 -0.03 0.76 -0.59 -2.12 0.00 0.00 175.29 173.09 1xwn s PHE 112 N -2.58 -0.12 -0.18 0.91 -0.71 -1.15 -3.13 117.98 111.01 1xwn s PHE 112 Ca 0.38 -0.37 -0.11 0.00 -1.04 0.00 0.00 56.93 55.80 1xwn s PHE 112 Cb 0.03 0.73 0.06 0.00 -1.21 0.00 0.00 43.02 42.63 1xwn s PHE 112 CO 0.21 -1.27 0.44 -0.59 -1.34 0.00 0.00 175.22 172.66 1xwn s PHE 113 N -3.53 -0.62 -0.32 3.49 -0.71 -1.01 -0.83 117.98 114.45 1xwn s PHE 113 Ca 0.12 1.34 -0.15 0.00 -1.04 0.00 0.00 56.93 57.19 1xwn s PHE 113 Cb -0.05 0.28 -0.02 0.00 -1.21 0.00 0.00 43.02 42.02 1xwn s PHE 113 CO 0.08 -0.34 0.38 0.08 -1.34 0.00 0.00 175.22 174.07 1xwn s VAL 114 N 1.24 5.16 -0.04 -2.49 1.01 0.21 -2.58 120.40 122.91 1xwn s VAL 114 Ca -0.08 0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.84 1xwn s VAL 114 Cb -0.07 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1xwn s VAL 114 CO -0.11 -0.02 1.01 -0.89 0.00 0.00 0.00 175.10 175.08 1xwn s THR 115 N 2.07 4.78 -0.44 3.92 2.01 -0.70 -1.67 115.64 125.61 1xwn s THR 115 Ca 0.13 2.01 0.07 0.00 0.31 0.00 0.00 61.69 64.22 1xwn s THR 115 Cb -0.16 -4.29 -0.05 0.00 0.01 0.00 0.00 72.50 68.00 1xwn s THR 115 CO 0.11 0.09 0.37 0.18 -0.69 0.00 0.00 174.62 174.68 1xwn n LEU 116 N 4.40 0.55 -4.27 4.42 4.77 -0.48 -0.20 117.00 126.19 1xwn n LEU 116 Ca 0.07 -0.58 -0.15 0.00 -0.03 0.00 0.00 56.01 55.33 1xwn n LEU 116 Cb 0.50 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1xwn n LEU 116 CO 0.52 0.12 -0.39 0.00 -1.33 0.00 0.00 177.39 176.32 1xwn s ALA 117 N -1.50 1.54 0.07 -1.18 0.00 -0.52 -4.59 121.76 115.58 1xwn s ALA 117 Ca 0.04 -1.56 -0.30 0.00 0.00 0.00 0.00 51.96 50.13 1xwn s ALA 117 Cb 0.06 0.18 -0.10 0.00 0.00 0.00 0.00 23.12 23.26 1xwn s ALA 117 CO 0.26 -0.14 1.93 -0.35 0.00 0.00 0.00 175.76 177.46 1xwn n PRO 118 N -0.25 2.87 -2.68 0.00 -0.04 -1.26 -4.08 135.00 129.55 1xwn n PRO 118 Ca -0.09 1.05 -0.08 0.00 -0.04 0.00 0.00 63.50 64.34 1xwn n PRO 118 Cb 0.61 -2.99 0.05 0.00 -0.04 0.00 0.00 33.50 31.13 1xwn n PRO 118 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1xwn n THR 119 N 5.28 0.86 0.10 0.52 -2.24 -1.25 -4.93 114.28 112.62 1xwn n THR 119 Ca 0.19 -2.79 0.09 0.00 -2.27 0.00 0.00 64.05 59.27 1xwn n THR 119 Cb 0.40 0.77 0.56 0.00 -2.10 0.00 0.00 70.33 69.96 1xwn n THR 119 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1xwn h GLN 120 N 2.80 0.23 0.00 -0.78 1.08 -1.82 -0.67 115.11 115.95 1xwn h GLN 120 Ca -0.13 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 57.00 1xwn h GLN 120 Cb 1.21 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.58 1xwn h GLN 120 CO 0.38 0.15 -0.25 0.11 -0.95 0.00 0.00 178.83 178.28 1xwn h TRP 121 N 0.24 0.00 0.00 2.96 0.09 -1.91 -2.06 115.95 115.26 1xwn h TRP 121 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.09 1xwn h TRP 121 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.40 1xwn h TRP 121 CO -0.00 0.25 0.00 1.28 0.09 0.00 0.00 178.44 180.06 1xwn n LEU 122 N -4.02 0.00 -4.57 0.11 4.77 -0.26 -4.63 117.00 108.40 1xwn n LEU 122 Ca -0.02 0.37 -0.22 0.00 -0.03 0.00 0.00 56.01 56.11 1xwn n LEU 122 Cb 0.32 -0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 40.97 1xwn n LEU 122 CO 0.36 -0.08 1.31 -0.62 -1.33 0.00 0.00 177.39 177.04 1xwn s ASP 123 N -2.74 4.54 0.00 -1.43 -1.08 -0.78 -2.19 116.67 113.00 1xwn s ASP 123 Ca 0.18 -0.86 0.00 0.00 -0.52 0.00 0.00 52.55 51.36 1xwn s ASP 123 Cb 0.16 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.04 1xwn s ASP 123 CO 0.39 -3.44 0.00 0.61 0.52 0.00 0.00 175.17 173.24 1xwn n GLY 124 N 6.43 2.31 0.06 2.66 0.00 -1.26 -5.00 105.19 110.39 1xwn n GLY 124 Ca 0.43 -0.22 -0.13 0.00 0.00 0.00 0.00 46.02 46.10 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 0.05 -6.36 1.61 1.57 -1.76 -3.44 116.57 108.24 1xwn h LYS 125 Ca 0.00 -0.02 -0.69 0.00 -1.87 0.00 0.00 60.65 58.07 1xwn h LYS 125 Cb 0.00 -0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.08 1xwn h LYS 125 CO 0.00 0.39 -0.77 -1.01 -0.57 0.00 0.00 179.45 177.48 1xwn s HIS 126 N -4.78 2.69 0.36 -1.35 3.76 -1.25 -4.97 115.29 109.74 1xwn s HIS 126 Ca -0.15 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.45 1xwn s HIS 126 Cb 0.03 -1.61 -0.08 0.00 1.11 0.00 0.00 32.58 32.03 1xwn s HIS 126 CO 0.68 0.20 0.78 0.99 -0.85 0.00 0.00 174.74 176.54 1xwn s THR 127 N -0.77 4.67 0.91 1.30 2.01 -1.24 -4.88 115.64 117.65 1xwn s THR 127 Ca 0.12 0.93 -0.15 0.00 0.31 0.00 0.00 61.69 62.89 1xwn s THR 127 Cb -0.11 -3.64 0.21 0.00 0.01 0.00 0.00 72.50 68.97 1xwn s THR 127 CO 0.01 -0.31 1.21 -0.38 -0.69 0.00 0.00 174.62 174.47 1xwn n ILE 128 N -0.69 0.00 0.00 1.82 5.41 -1.26 0.85 119.36 125.49 1xwn n ILE 128 Ca 0.04 -0.87 0.00 0.00 1.00 0.00 0.00 62.75 62.91 1xwn n ILE 128 Cb 0.53 -1.53 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 0.00 0.00 0.00 176.55 178.77 1xwn n PHE 129 N -3.74 0.00 -4.01 1.39 -1.74 -0.67 -3.54 117.46 105.14 1xwn n PHE 129 Ca 0.15 0.00 -0.14 0.00 -0.56 0.00 0.00 57.45 56.91 1xwn n PHE 129 Cb 0.53 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.51 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 -0.76 1.95 3.11 4.97 0.00 0.42 -2.59 105.19 112.29 1xwn n GLY 130 Ca 0.00 -1.56 -0.09 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 -2.68 0.59 -0.71 1.61 3.52 -0.55 -2.13 118.95 118.60 1xwn s ARG 131 Ca 0.27 -0.82 -0.00 0.00 -0.13 0.00 0.00 55.73 55.05 1xwn s ARG 131 Cb -0.02 0.23 0.18 0.00 -1.56 0.00 0.00 34.95 33.78 1xwn s ARG 131 CO 0.19 -0.15 0.54 0.14 -0.81 0.00 0.00 175.30 175.21 1xwn s VAL 132 N -2.80 3.61 0.05 7.11 -7.23 -1.22 -0.87 120.40 119.04 1xwn s VAL 132 Ca -0.03 -3.57 -0.15 0.00 -1.81 0.00 0.00 61.98 56.41 1xwn s VAL 132 Cb -0.00 -3.33 -0.30 0.00 0.56 0.00 0.00 36.38 33.32 1xwn s VAL 132 CO -0.06 -0.96 1.09 0.00 -0.31 0.00 0.00 175.10 174.87 1xwn s GLN 134 N -2.96 1.07 0.00 0.00 -0.21 -1.21 -4.73 119.66 111.62 1xwn s GLN 134 Ca -0.09 -1.50 0.00 0.00 0.02 0.00 0.00 55.36 53.79 1xwn s GLN 134 Cb 0.05 -2.46 0.00 0.00 1.00 0.00 0.00 33.01 31.61 1xwn s GLN 134 CO 0.94 -1.00 0.00 0.41 -2.12 0.00 0.00 175.29 173.52 1xwn n GLY 135 N 4.43 0.38 0.47 3.09 0.00 -1.26 -0.06 105.19 112.24 1xwn n GLY 135 Ca 0.01 0.00 0.29 0.00 0.00 0.00 0.00 46.02 46.33 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 0.53 0.00 -0.61 2.10 -1.85 0.37 117.51 118.05 1xwn h ILE 136 Ca 0.00 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.93 1xwn h ILE 136 Cb 0.00 0.50 0.00 0.00 -1.09 0.00 0.00 36.82 36.23 1xwn h ILE 136 CO 0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.68 1xwn n GLY 137 N -1.71 -1.12 0.10 8.18 0.00 -1.26 -1.17 105.19 108.21 1xwn n GLY 137 Ca 0.20 0.01 -0.10 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.84 0.68 0.05 1.61 0.00 0.13 -4.26 117.12 113.49 1xwn n MET 138 Ca 0.03 0.05 -0.15 0.00 -0.00 0.00 0.00 57.70 57.63 1xwn n MET 138 Cb 0.19 -1.57 -0.14 0.00 0.00 0.00 0.00 33.22 31.70 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 0.00 1.16 0.00 1.12 -1.51 -1.36 -3.29 116.25 112.36 1xwn h VAL 139 Ca -0.50 -2.83 -0.01 0.00 -1.23 0.00 0.00 66.70 62.13 1xwn h VAL 139 Cb 2.20 2.73 -0.00 0.00 -2.13 0.00 0.00 31.29 34.09 1xwn h VAL 139 CO 0.04 0.80 -0.06 -0.55 -1.23 0.00 0.00 177.57 176.57 1xwn h ASN 140 N 0.06 0.00 0.86 4.19 7.08 -1.36 -1.94 115.58 124.47 1xwn h ASN 140 Ca -0.23 0.00 -0.20 0.00 -3.08 0.00 0.00 56.30 52.78 1xwn h ASN 140 Cb 1.99 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 38.21 1xwn h ASN 140 CO 0.15 0.06 -0.96 0.08 -2.08 0.00 0.00 177.43 174.68 1xwn h ARG 141 N 0.00 0.05 -0.77 4.14 0.11 -1.74 -2.04 114.38 114.12 1xwn h ARG 141 Ca -0.00 -0.07 0.07 0.00 0.10 0.00 0.00 59.98 60.07 1xwn h ARG 141 Cb 0.12 0.03 -0.05 0.00 1.11 0.00 0.00 29.97 31.18 1xwn h ARG 141 CO 0.01 0.97 0.51 0.28 0.10 0.00 0.00 179.97 181.83 1xwn h VAL 142 N 0.02 1.03 0.00 0.08 2.07 -1.42 -0.84 116.25 117.20 1xwn h VAL 142 Ca -0.03 -0.28 -0.30 0.00 0.82 0.00 0.00 66.70 66.91 1xwn h VAL 142 Cb 1.67 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 31.53 1xwn h VAL 142 CO 0.13 0.15 -1.78 0.61 0.02 0.00 0.00 177.57 176.70 1xwn n GLY 143 N -1.43 -0.99 0.23 2.17 0.00 -1.21 -4.15 105.19 99.81 1xwn n GLY 143 Ca 0.11 -0.07 0.02 0.00 0.00 0.00 0.00 46.02 46.08 1xwn n GLY 143 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1xwn h MET 144 N 0.00 0.22 -7.06 1.61 -1.53 -0.89 -3.34 114.93 103.94 1xwn h MET 144 Ca -0.31 -0.06 -0.40 0.00 -3.44 0.00 0.00 59.70 55.49 1xwn h MET 144 Cb 2.04 -0.03 0.22 0.00 -0.55 0.00 0.00 31.60 33.28 1xwn h MET 144 CO 0.07 0.41 -0.09 0.14 0.14 0.00 0.00 176.91 177.58 1xwn s VAL 145 N -4.61 1.41 0.82 -5.77 -7.23 -0.36 -4.97 120.40 99.68 1xwn s VAL 145 Ca -0.05 0.00 -0.11 0.00 -1.81 0.00 0.00 61.98 60.01 1xwn s VAL 145 Cb 0.15 -2.07 0.11 0.00 0.56 0.00 0.00 36.38 35.13 1xwn s VAL 145 CO 0.74 0.00 1.16 -0.70 -0.31 0.00 0.00 175.10 175.99 1xwn s GLU 146 N -4.91 1.64 0.18 4.82 2.56 -1.26 -4.96 118.70 116.77 1xwn s GLU 146 Ca 0.69 -0.22 -0.09 0.00 0.00 0.00 0.00 54.97 55.34 1xwn s GLU 146 Cb -0.16 -2.01 -0.01 0.00 2.00 0.00 0.00 34.13 33.95 1xwn s GLU 146 CO 0.60 -1.71 0.30 0.95 -0.56 0.00 0.00 175.26 174.84 1xwn s THR 147 N -3.54 0.05 0.06 -1.70 -4.23 -1.26 -2.85 115.64 102.17 1xwn s THR 147 Ca 0.65 -1.42 -0.04 0.00 -1.18 0.00 0.00 61.69 59.70 1xwn s THR 147 Cb -0.09 -1.92 -0.02 0.00 1.34 0.00 0.00 72.50 71.81 1xwn s THR 147 CO 0.49 -0.24 0.06 0.54 -0.54 0.00 0.00 174.62 174.93 1xwn s ASN 148 N -2.98 0.33 0.00 3.99 4.22 0.11 -4.79 114.94 115.80 1xwn s ASN 148 Ca 0.19 -0.82 0.00 0.00 -2.14 0.00 0.00 52.86 50.09 1xwn s ASN 148 Cb 0.03 0.25 0.00 0.00 1.28 0.00 0.00 41.25 42.81 1xwn s ASN 148 CO 0.02 -0.63 0.00 -1.20 -2.04 0.00 0.00 177.10 173.25 1xwn n SER 149 N 0.16 0.00 0.00 3.54 7.64 -1.26 -1.49 113.62 122.21 1xwn n SER 149 Ca -0.15 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.73 1xwn n SER 149 Cb 0.61 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 1xwn n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xwn n GLN 150 N 0.00 0.00 -1.74 1.43 6.02 -1.26 -4.97 117.38 116.86 1xwn n GLN 150 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.97 1xwn n GLN 150 Cb 0.00 0.00 0.04 0.00 1.02 0.00 0.00 30.24 31.30 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1xwn n ASP 151 N 0.00 -0.70 -4.58 1.08 5.75 -1.22 -5.05 116.55 111.83 1xwn n ASP 151 Ca 0.00 -1.47 -0.36 0.00 -0.01 0.00 0.00 54.79 52.95 1xwn n ASP 151 Cb 0.00 0.30 -0.11 0.00 -1.03 0.00 0.00 41.12 40.29 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.60 -0.11 0.00 0.00 177.20 176.49 1xwn s ARG 152 N 0.05 3.90 -0.31 0.11 6.06 -0.55 -3.69 118.95 124.52 1xwn s ARG 152 Ca 0.03 -0.36 -0.32 0.00 -2.50 0.00 0.00 55.73 52.58 1xwn s ARG 152 Cb 0.17 -3.36 -0.09 0.00 0.06 0.00 0.00 34.95 31.73 1xwn s ARG 152 CO -0.05 0.05 2.22 -2.30 -2.50 0.00 0.00 175.30 172.72 1xwn n PRO 153 N 4.26 1.41 0.18 5.12 -0.02 -1.26 0.04 135.00 144.72 1xwn n PRO 153 Ca -0.16 0.37 0.04 0.00 -2.02 0.00 0.00 63.50 61.73 1xwn n PRO 153 Cb 0.52 -2.80 0.45 0.00 -0.02 0.00 0.00 33.50 31.65 1xwn n PRO 153 CO 0.00 0.00 0.00 -0.24 1.98 0.00 0.00 175.50 177.24 1xwn h VAL 154 N 7.16 1.16 -2.49 -1.45 3.04 -1.83 -3.44 116.25 118.40 1xwn h VAL 154 Ca -0.32 -0.73 -0.07 0.00 -1.01 0.00 0.00 66.70 64.57 1xwn h VAL 154 Cb 1.29 1.30 0.03 0.00 -2.01 0.00 0.00 31.29 31.90 1xwn h VAL 154 CO 1.01 0.22 0.06 0.47 -1.01 0.00 0.00 177.57 178.32 1xwn n ASP 155 N -4.29 0.05 -4.24 3.17 8.00 -1.26 -5.07 116.55 112.90 1xwn n ASP 155 Ca -0.02 -1.10 -0.35 0.00 0.71 0.00 0.00 54.79 54.04 1xwn n ASP 155 Cb 0.26 -0.17 -0.14 0.00 -0.02 0.00 0.00 41.12 41.05 1xwn n ASP 155 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1xwn s ASP 156 N -1.81 4.19 -0.06 -2.24 1.11 -1.26 -5.09 116.67 111.50 1xwn s ASP 156 Ca 0.13 -0.63 -0.03 0.00 0.18 0.00 0.00 52.55 52.20 1xwn s ASP 156 Cb -0.00 -1.68 0.04 0.00 1.07 0.00 0.00 42.92 42.34 1xwn s ASP 156 CO 0.09 -0.07 0.12 -0.69 1.18 0.00 0.00 175.17 175.80 1xwn s VAL 157 N 1.39 -0.17 0.38 -1.27 1.01 -1.26 -4.70 120.40 115.78 1xwn s VAL 157 Ca 0.03 0.35 -0.14 0.00 0.00 0.00 0.00 61.98 62.22 1xwn s VAL 157 Cb -0.15 -0.23 0.05 0.00 0.00 0.00 0.00 36.38 36.05 1xwn s VAL 157 CO -0.05 0.15 0.74 -1.59 0.00 0.00 0.00 175.10 174.35 1xwn s LYS 158 N 2.04 2.18 -0.01 2.72 0.00 -1.26 -3.56 119.74 121.85 1xwn s LYS 158 Ca 0.01 -1.48 0.03 0.00 0.00 0.00 0.00 55.97 54.54 1xwn s LYS 158 Cb -0.12 0.60 -0.03 0.00 0.00 0.00 0.00 37.83 38.28 1xwn s LYS 158 CO -0.05 -1.00 -0.07 0.42 0.00 0.00 0.00 175.35 174.65 1xwn s ILE 159 N -2.46 3.65 -0.09 3.79 1.01 0.21 0.29 121.20 127.60 1xwn s ILE 159 Ca 0.18 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1xwn s ILE 159 Cb -0.04 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 1xwn s ILE 159 CO 0.13 0.43 -0.08 2.30 0.00 0.00 0.00 174.94 177.72 1xwn n ILE 160 N 1.68 0.49 -3.51 2.92 -5.35 -1.07 -2.64 119.36 111.89 1xwn n ILE 160 Ca -0.16 -0.19 -0.14 0.00 -0.27 0.00 0.00 62.75 61.99 1xwn n ILE 160 Cb 0.53 -0.84 -0.05 0.00 -1.74 0.00 0.00 39.64 37.54 1xwn n ILE 160 CO 0.00 0.00 0.00 -1.59 -1.76 0.00 0.00 176.55 173.20 1xwn s LYS 161 N -2.17 0.99 -0.13 6.28 -2.85 -0.64 -4.37 119.74 116.85 1xwn s LYS 161 Ca -0.12 0.03 -0.14 0.00 -1.00 0.00 0.00 55.97 54.74 1xwn s LYS 161 Cb 0.03 0.46 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1xwn s LYS 161 CO 0.20 -0.35 0.39 0.00 0.10 0.00 0.00 175.35 175.68 1xwn s ALA 162 N -1.89 -0.96 0.07 0.59 0.00 -1.26 -0.33 121.76 117.98 1xwn s ALA 162 Ca -0.05 1.00 -0.19 0.00 0.00 0.00 0.00 51.96 52.72 1xwn s ALA 162 Cb -0.00 -0.53 0.04 0.00 0.00 0.00 0.00 23.12 22.63 1xwn s ALA 162 CO 0.02 -0.20 0.45 1.52 0.00 0.00 0.00 175.76 177.55 1xwn s TYR 163 N -0.04 -0.31 0.68 0.00 1.13 0.15 -4.56 117.35 114.41 1xwn s TYR 163 Ca -0.02 0.20 -0.11 0.00 -1.41 0.00 0.00 57.07 55.73 1xwn s TYR 163 Cb -0.03 0.28 -0.00 0.00 -1.10 0.00 0.00 41.96 41.11 1xwn s TYR 163 CO 0.01 -0.64 1.07 -1.25 -2.51 0.00 0.00 175.55 172.24 1xwn s PRO 164 N -2.90 3.05 0.22 -3.49 0.04 -1.26 -0.25 135.00 130.41 1xwn s PRO 164 Ca -0.03 0.58 -0.19 0.00 0.04 0.00 0.00 61.00 61.40 1xwn s PRO 164 Cb -0.00 -2.03 -0.08 0.00 0.04 0.00 0.00 34.50 32.42 1xwn s PRO 164 CO -0.05 -0.92 0.72 -1.12 0.04 0.00 0.00 177.00 175.66 1xwn s SER 165 N -4.26 7.05 0.00 6.66 0.01 -1.14 -4.70 113.70 117.32 1xwn s SER 165 Ca 0.57 1.41 0.00 0.00 1.31 0.00 0.00 55.95 59.24 1xwn s SER 165 Cb -0.11 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1xwn s SER 165 CO 0.53 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.82