#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 1.34 -0.41 3.17 0.00 -1.26 -4.93 121.76 119.67 1xwn s ALA 2 Ca 0.00 -0.92 -0.14 0.00 0.00 0.00 0.00 51.96 50.90 1xwn s ALA 2 Cb 0.00 -0.21 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1xwn s ALA 2 CO 0.00 0.26 0.51 0.00 0.00 0.00 0.00 175.76 176.53 1xwn n ALA 3 N 1.77 -3.08 -1.75 0.00 0.00 -1.26 -4.90 120.51 111.29 1xwn n ALA 3 Ca -0.18 1.06 -0.42 0.00 0.00 0.00 0.00 53.44 53.91 1xwn n ALA 3 Cb 0.54 -3.35 -0.02 0.00 0.00 0.00 0.00 19.45 16.63 1xwn n ALA 3 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1xwn s ILE 4 N -2.44 2.01 0.36 0.00 -5.25 -1.26 -4.97 121.20 109.66 1xwn s ILE 4 Ca 0.21 0.01 -0.26 0.00 -0.99 0.00 0.00 60.65 59.63 1xwn s ILE 4 Cb -0.06 -3.01 -0.09 0.00 2.95 0.00 0.00 42.46 42.25 1xwn s ILE 4 CO 0.77 0.00 1.08 -2.16 -1.79 0.00 0.00 174.94 172.85 1xwn s PRO 5 N -0.27 4.31 -0.25 0.37 0.04 -1.26 -4.94 135.00 133.01 1xwn s PRO 5 Ca 0.65 1.66 -0.32 0.00 0.04 0.00 0.00 61.00 63.03 1xwn s PRO 5 Cb -0.49 -2.79 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1xwn s PRO 5 CO 0.46 -0.04 2.14 -2.30 0.04 0.00 0.00 177.00 177.30 1xwn n PRO 6 N 0.40 1.61 -1.76 0.56 -0.02 -1.26 -4.87 135.00 129.65 1xwn n PRO 6 Ca 0.03 0.48 -0.43 0.00 -2.02 0.00 0.00 63.50 61.56 1xwn n PRO 6 Cb 0.47 -2.78 -0.03 0.00 -0.02 0.00 0.00 33.50 31.15 1xwn n PRO 6 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1xwn s ASP 7 N 7.07 6.05 0.00 2.55 1.01 -1.26 -4.92 116.67 127.17 1xwn s ASP 7 Ca 1.03 2.10 0.00 0.00 0.71 0.00 0.00 52.55 56.39 1xwn s ASP 7 Cb -0.64 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 40.77 1xwn s ASP 7 CO 0.45 -1.46 0.47 -1.54 0.21 0.00 0.00 175.17 173.30 1xwn n SER 8 N 9.37 0.00 -4.81 0.27 3.41 -1.26 -4.84 113.62 115.77 1xwn n SER 8 Ca 0.23 0.63 -0.32 0.00 -0.26 0.00 0.00 58.87 59.15 1xwn n SER 8 Cb 0.44 -0.36 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1xwn n SER 8 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1xwn s TRP 9 N -1.66 3.02 0.03 7.33 1.48 -1.26 -4.67 118.94 123.21 1xwn s TRP 9 Ca 0.00 1.50 0.00 0.00 -1.06 0.00 0.00 56.10 56.54 1xwn s TRP 9 Cb 0.00 -2.98 0.00 0.00 -1.16 0.00 0.00 33.47 29.33 1xwn s TRP 9 CO 0.00 -1.11 0.00 1.04 -4.06 0.00 0.00 176.95 172.82 1xwn n GLN 10 N -2.19 0.00 -2.49 3.25 6.02 -1.26 -5.11 117.38 115.60 1xwn n GLN 10 Ca 0.08 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.65 1xwn n GLN 10 Cb 0.53 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.77 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 -1.82 3.64 0.08 -1.09 0.04 -1.26 -4.92 135.00 129.66 1xwn s PRO 11 Ca 0.00 0.70 -0.17 0.00 0.04 0.00 0.00 61.00 61.57 1xwn s PRO 11 Cb 0.00 -3.97 -0.10 0.00 0.04 0.00 0.00 34.50 30.47 1xwn s PRO 11 CO 0.00 -1.50 1.41 -1.00 0.04 0.00 0.00 177.00 175.95 1xwn h PRO 12 N 9.93 0.57 -5.16 0.56 0.13 -1.90 -3.47 132.00 132.67 1xwn h PRO 12 Ca -0.25 -0.29 -0.36 0.00 -0.87 0.00 0.00 66.00 64.24 1xwn h PRO 12 Cb 1.08 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.07 1xwn h PRO 12 CO 1.12 0.87 -0.71 -0.80 -0.23 0.00 0.00 178.00 178.25 1xwn s ASN 13 N -6.35 1.94 -0.00 1.44 -0.87 -1.26 -3.47 114.94 106.37 1xwn s ASN 13 Ca -0.13 -1.04 0.06 0.00 -1.57 0.00 0.00 52.86 50.18 1xwn s ASN 13 Cb 0.08 -0.03 -0.02 0.00 -0.02 0.00 0.00 41.25 41.26 1xwn s ASN 13 CO 0.80 -0.33 -0.19 0.68 -2.57 0.00 0.00 177.10 175.49 1xwn s VAL 14 N -3.28 1.50 -0.39 1.60 -7.23 0.07 -2.58 120.40 110.10 1xwn s VAL 14 Ca 0.19 -0.89 -0.07 0.00 -1.81 0.00 0.00 61.98 59.41 1xwn s VAL 14 Cb 0.02 -1.26 0.07 0.00 0.56 0.00 0.00 36.38 35.77 1xwn s VAL 14 CO 0.03 0.36 0.19 -0.31 -0.31 0.00 0.00 175.10 175.05 1xwn s TYR 15 N -0.53 3.36 -0.54 2.82 1.51 -0.84 -0.96 117.35 122.16 1xwn s TYR 15 Ca 0.07 -1.70 -0.17 0.00 -1.01 0.00 0.00 57.07 54.26 1xwn s TYR 15 Cb -0.08 -2.76 0.10 0.00 -0.11 0.00 0.00 41.96 39.11 1xwn s TYR 15 CO -0.00 -0.84 0.58 -0.51 -1.11 0.00 0.00 175.55 173.67 1xwn s LEU 16 N 1.35 5.61 -0.49 -1.29 1.43 -0.32 -2.79 118.68 122.18 1xwn s LEU 16 Ca 0.02 -1.45 -0.23 0.00 -1.03 0.00 0.00 54.13 51.44 1xwn s LEU 16 Cb -0.22 -2.28 0.04 0.00 0.03 0.00 0.00 46.19 43.76 1xwn s LEU 16 CO 0.01 -0.93 0.80 -0.70 0.23 0.00 0.00 176.35 175.76 1xwn s GLU 17 N 2.18 3.33 0.30 1.70 -6.30 -0.07 -2.65 118.70 117.18 1xwn s GLU 17 Ca 0.08 -0.29 0.09 0.00 -2.50 0.00 0.00 54.97 52.36 1xwn s GLU 17 Cb -0.25 -4.00 -0.04 0.00 0.00 0.00 0.00 34.13 29.84 1xwn s GLU 17 CO 0.06 -1.24 0.03 -0.08 0.02 0.00 0.00 175.26 174.05 1xwn s THR 18 N 3.36 3.21 0.46 -1.70 -1.32 -0.47 -1.17 115.64 118.00 1xwn s THR 18 Ca 0.27 -1.87 0.15 0.00 -1.21 0.00 0.00 61.69 59.03 1xwn s THR 18 Cb -0.13 -2.86 0.20 0.00 -1.51 0.00 0.00 72.50 68.19 1xwn s THR 18 CO 0.20 -0.30 2.02 0.28 -2.21 0.00 0.00 174.62 174.60 1xwn h SER 19 N 1.80 0.00 0.26 8.08 0.02 -0.31 -1.84 113.55 121.55 1xwn h SER 19 Ca -0.44 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.41 1xwn h SER 19 Cb 1.25 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.78 1xwn h SER 19 CO 0.62 0.15 -0.41 -0.03 -1.14 0.00 0.00 176.83 176.03 1xwn h MET 20 N 0.00 0.20 0.00 3.45 1.85 -1.77 -3.47 114.93 115.19 1xwn h MET 20 Ca -0.00 -0.09 0.00 0.00 -0.61 0.00 0.00 59.70 59.00 1xwn h MET 20 Cb 0.27 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.30 1xwn h MET 20 CO 0.02 0.58 0.00 0.41 -0.40 0.00 0.00 176.91 177.52 1xwn n GLY 21 N -0.22 -0.59 3.07 1.39 0.00 -0.69 -5.05 105.19 103.09 1xwn n GLY 21 Ca -0.01 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.20 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 1.07 -0.08 -0.61 2.07 -1.26 -1.37 121.20 117.01 1xwn s ILE 22 Ca 0.00 -0.53 -0.03 0.00 -1.41 0.00 0.00 60.65 58.68 1xwn s ILE 22 Cb 0.00 -0.92 0.04 0.00 0.13 0.00 0.00 42.46 41.71 1xwn s ILE 22 CO 0.00 0.32 0.17 0.27 -1.91 0.00 0.00 174.94 173.79 1xwn s ILE 23 N 0.04 -0.07 -0.55 2.00 -4.36 -1.08 -4.67 121.20 112.50 1xwn s ILE 23 Ca -0.02 0.19 -0.13 0.00 -0.26 0.00 0.00 60.65 60.43 1xwn s ILE 23 Cb -0.09 -0.28 0.14 0.00 1.25 0.00 0.00 42.46 43.47 1xwn s ILE 23 CO 0.01 0.08 0.48 -0.69 0.24 0.00 0.00 174.94 175.05 1xwn s VAL 24 N 1.32 4.89 0.39 8.37 1.01 0.27 -1.17 120.40 135.48 1xwn s VAL 24 Ca -0.08 -1.74 -0.21 0.00 0.00 0.00 0.00 61.98 59.95 1xwn s VAL 24 Cb -0.11 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.01 1xwn s VAL 24 CO -0.07 -0.86 0.92 -0.76 0.00 0.00 0.00 175.10 174.33 1xwn s LEU 25 N 1.32 4.04 -0.05 3.92 1.02 -0.13 -3.86 118.68 124.94 1xwn s LEU 25 Ca 0.06 1.66 0.03 0.00 0.02 0.00 0.00 54.13 55.90 1xwn s LEU 25 Cb -0.26 -4.36 -0.03 0.00 0.02 0.00 0.00 46.19 41.56 1xwn s LEU 25 CO 0.00 -0.28 -0.13 -0.70 0.02 0.00 0.00 176.35 175.27 1xwn s GLU 26 N -2.91 2.54 -0.09 1.70 2.12 -0.41 -0.75 118.70 120.90 1xwn s GLU 26 Ca 0.58 -0.68 0.03 0.00 0.36 0.00 0.00 54.97 55.27 1xwn s GLU 26 Cb -0.11 -2.42 0.01 0.00 0.26 0.00 0.00 34.13 31.87 1xwn s GLU 26 CO 0.16 0.63 -0.18 -0.51 -0.54 0.00 0.00 175.26 174.81 1xwn s LEU 27 N -0.80 1.87 -0.54 2.70 1.02 -1.23 -1.27 118.68 120.44 1xwn s LEU 27 Ca 0.12 -0.44 -0.26 0.00 0.02 0.00 0.00 54.13 53.57 1xwn s LEU 27 Cb -0.11 -1.14 -0.06 0.00 0.02 0.00 0.00 46.19 44.91 1xwn s LEU 27 CO 0.01 0.10 2.24 -0.31 0.02 0.00 0.00 176.35 178.41 1xwn s TYR 28 N 0.53 1.26 -1.74 0.29 2.02 -1.22 -4.80 117.35 113.68 1xwn s TYR 28 Ca -0.16 1.34 0.00 0.00 -0.37 0.00 0.00 57.07 57.87 1xwn s TYR 28 Cb -0.17 -3.74 0.00 0.00 -0.40 0.00 0.00 41.96 37.66 1xwn s TYR 28 CO 0.06 -2.43 0.82 -2.67 -1.57 0.00 0.00 175.55 169.76 1xwn n TRP 29 N 15.02 0.00 -0.04 2.71 4.27 -1.26 -1.40 117.44 136.74 1xwn n TRP 29 Ca 0.32 0.00 -0.04 0.00 -3.89 0.00 0.00 57.50 53.89 1xwn n TRP 29 Cb 0.54 -0.02 -0.01 0.00 -1.36 0.00 0.00 31.31 30.45 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 -0.36 0.24 -0.01 -2.67 4.01 -1.26 -4.49 118.16 113.62 1xwn n LYS 30 Ca 0.00 0.09 0.10 0.00 -0.51 0.00 0.00 58.31 58.00 1xwn n LYS 30 Cb 0.06 -0.92 -0.14 0.00 -0.51 0.00 0.00 35.03 33.52 1xwn n LYS 30 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 1xwn n HIS 31 N -3.38 0.00 0.85 2.13 8.25 -1.26 -4.42 115.22 117.40 1xwn n HIS 31 Ca -0.06 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.52 1xwn n HIS 31 Cb 0.23 -0.27 0.18 0.00 1.12 0.00 0.00 29.99 31.26 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 -1.90 2.46 -0.41 -1.41 0.00 -0.49 -4.61 120.51 114.16 1xwn n ALA 32 Ca -0.00 -0.75 0.36 0.00 0.00 0.00 0.00 53.44 53.04 1xwn n ALA 32 Cb 0.45 -0.87 0.63 0.00 0.00 0.00 0.00 19.45 19.66 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 4.36 0.03 0.57 0.00 0.11 -1.74 0.36 132.00 135.69 1xwn h PRO 33 Ca 0.00 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1xwn h PRO 33 Cb 0.94 -0.01 0.01 0.00 0.11 0.00 0.00 31.00 32.05 1xwn h PRO 33 CO 0.00 0.02 -0.27 0.87 -0.21 0.00 0.00 178.00 178.41 1xwn h LYS 34 N 0.03 -0.74 -0.31 1.05 1.79 -1.91 -1.01 116.57 115.47 1xwn h LYS 34 Ca 0.86 0.05 -0.07 0.00 -2.18 0.00 0.00 60.65 59.30 1xwn h LYS 34 Cb 2.53 0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 33.33 1xwn h LYS 34 CO -0.58 -0.48 -0.11 1.79 -1.08 0.00 0.00 179.45 178.98 1xwn h THR 35 N -0.80 1.23 -0.49 -0.16 1.35 -0.97 -2.79 112.91 110.28 1xwn h THR 35 Ca -0.08 -1.03 0.03 0.00 -0.55 0.00 0.00 66.41 64.78 1xwn h THR 35 Cb 0.60 1.12 -0.04 0.00 -1.73 0.00 0.00 68.15 68.11 1xwn h THR 35 CO 0.13 0.34 0.28 0.00 -0.25 0.00 0.00 175.52 176.02 1xwn h LYS 37 N 0.55 0.82 -0.68 0.00 3.64 -0.97 0.18 116.57 120.12 1xwn h LYS 37 Ca 0.20 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.42 1xwn h LYS 37 Cb 0.05 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1xwn h LYS 37 CO -0.11 0.63 0.16 -0.97 -2.27 0.00 0.00 179.45 176.90 1xwn h ASN 38 N 0.79 1.02 -0.30 4.20 -1.24 -1.16 0.13 115.58 119.02 1xwn h ASN 38 Ca 0.20 -0.21 -0.10 0.00 0.71 0.00 0.00 56.30 56.90 1xwn h ASN 38 Cb 0.05 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.83 1xwn h ASN 38 CO -0.03 0.98 -0.22 0.15 -1.29 0.00 0.00 177.43 177.02 1xwn h PHE 39 N 1.03 0.80 -0.24 0.67 3.57 -0.10 -2.38 116.94 120.29 1xwn h PHE 39 Ca 0.22 -0.22 -0.07 0.00 3.53 0.00 0.00 57.97 61.43 1xwn h PHE 39 Cb 0.36 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.92 1xwn h PHE 39 CO 0.03 0.94 -0.12 0.00 -2.23 0.00 0.00 178.31 176.93 1xwn h ALA 40 N 0.74 0.33 -0.23 2.41 0.00 -0.50 -2.47 119.26 119.53 1xwn h ALA 40 Ca 0.06 -0.31 0.02 0.00 0.00 0.00 0.00 54.91 54.68 1xwn h ALA 40 Cb 0.77 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 1xwn h ALA 40 CO 0.06 0.19 0.09 0.93 0.00 0.00 0.00 179.25 180.52 1xwn h GLU 41 N 0.21 0.19 -0.62 0.00 4.39 -0.77 0.46 114.58 118.45 1xwn h GLU 41 Ca 0.05 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.74 1xwn h GLU 41 Cb 0.63 -0.04 -0.03 0.00 -0.10 0.00 0.00 28.75 29.20 1xwn h GLU 41 CO 0.04 0.13 0.38 -0.07 -1.16 0.00 0.00 179.01 178.32 1xwn h LEU 42 N 0.20 0.73 -0.19 1.33 4.07 -1.44 0.22 115.31 120.22 1xwn h LEU 42 Ca 0.10 -0.03 -0.19 0.00 0.08 0.00 0.00 57.88 57.83 1xwn h LEU 42 Cb 0.06 -0.18 -0.02 0.00 1.08 0.00 0.00 40.66 41.59 1xwn h LEU 42 CO -0.10 0.56 -0.91 0.00 -1.08 0.00 0.00 178.44 176.91 1xwn h ALA 43 N 1.57 0.50 0.00 1.53 0.00 -0.91 0.98 119.26 122.92 1xwn h ALA 43 Ca 0.22 -0.82 -0.03 0.00 0.00 0.00 0.00 54.91 54.29 1xwn h ALA 43 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 1xwn h ALA 43 CO -0.04 1.11 -0.10 -0.09 0.00 0.00 0.00 179.25 180.12 1xwn h ARG 44 N 0.01 0.06 -0.92 0.00 2.43 0.57 -3.33 114.38 113.21 1xwn h ARG 44 Ca -0.02 -0.07 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 1xwn h ARG 44 Cb 1.60 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 31.13 1xwn h ARG 44 CO 0.12 0.86 0.60 0.07 -1.51 0.00 0.00 179.97 180.12 1xwn h ARG 45 N -0.71 1.21 0.00 0.20 0.11 -0.70 -3.47 114.38 111.02 1xwn h ARG 45 Ca -0.01 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.99 1xwn h ARG 45 Cb 0.90 -0.27 0.00 0.00 1.11 0.00 0.00 29.97 31.71 1xwn h ARG 45 CO 0.02 0.81 0.00 0.41 0.10 0.00 0.00 179.97 181.31 1xwn n GLY 46 N -1.34 0.76 0.65 0.08 0.00 -1.11 -5.10 105.19 99.13 1xwn n GLY 46 Ca 0.10 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.09 1.61 4.02 0.32 -4.81 117.16 118.40 1xwn n TYR 47 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.76 1xwn n TYR 47 Cb 0.00 -0.14 -0.08 0.00 -0.02 0.00 0.00 39.34 39.10 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 -0.28 -0.18 -2.62 -0.72 0.05 -1.87 -3.42 116.97 107.93 1xwn h TYR 48 Ca 0.00 -0.00 -0.55 0.00 0.05 0.00 0.00 58.73 58.23 1xwn h TYR 48 Cb 0.28 0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1xwn h TYR 48 CO -0.12 0.02 1.09 0.54 -1.05 0.00 0.00 178.16 178.64 1xwn s ASN 49 N -5.17 6.66 0.00 3.88 2.20 -1.26 -2.99 114.94 118.26 1xwn s ASN 49 Ca -0.14 2.20 0.00 0.00 -0.94 0.00 0.00 52.86 53.97 1xwn s ASN 49 Cb 0.04 -2.53 0.00 0.00 -2.00 0.00 0.00 41.25 36.76 1xwn s ASN 49 CO 0.64 -0.94 0.00 0.61 -2.94 0.00 0.00 177.10 174.47 1xwn n GLY 50 N 4.14 1.40 0.83 0.45 0.00 0.19 -4.88 105.19 107.33 1xwn n GLY 50 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.18 0.00 -3.85 2.61 5.66 -1.02 -4.96 114.28 112.55 1xwn n THR 51 Ca 0.00 -0.53 -0.12 0.00 -3.05 0.00 0.00 64.05 60.35 1xwn n THR 51 Cb 0.00 -0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 68.68 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 -2.44 0.53 0.29 1.09 0.00 -1.26 -1.01 119.74 116.95 1xwn s LYS 52 Ca 0.02 -0.37 -0.29 0.00 0.00 0.00 0.00 55.97 55.32 1xwn s LYS 52 Cb -0.00 0.22 -0.10 0.00 0.00 0.00 0.00 37.83 37.95 1xwn s LYS 52 CO 0.01 -0.13 1.44 -0.06 0.00 0.00 0.00 175.35 176.61 1xwn s PHE 53 N -1.43 2.92 -0.13 1.78 0.40 -1.17 -4.65 117.98 115.70 1xwn s PHE 53 Ca -0.14 1.10 0.04 0.00 -0.60 0.00 0.00 56.93 57.33 1xwn s PHE 53 Cb -0.07 -3.86 -0.10 0.00 0.51 0.00 0.00 43.02 39.50 1xwn s PHE 53 CO 0.02 -2.67 -0.07 -2.39 0.70 0.00 0.00 175.22 170.81 1xwn n HIS 54 N 1.68 0.00 -3.91 0.36 1.44 -1.26 -4.92 115.22 108.61 1xwn n HIS 54 Ca 0.05 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.40 1xwn n HIS 54 Cb 0.40 -0.53 -0.14 0.00 0.12 0.00 0.00 29.99 29.84 1xwn n HIS 54 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1xwn s ARG 55 N -2.27 2.76 -0.13 -1.40 1.81 -1.26 -4.70 118.95 113.77 1xwn s ARG 55 Ca -0.14 -1.04 -0.01 0.00 -1.72 0.00 0.00 55.73 52.82 1xwn s ARG 55 Cb 0.04 -3.11 0.04 0.00 -0.45 0.00 0.00 34.95 31.47 1xwn s ARG 55 CO 0.36 -0.47 -0.02 0.42 -0.68 0.00 0.00 175.30 174.91 1xwn s ILE 56 N 1.33 0.70 -0.51 1.52 -1.09 -1.26 -2.48 121.20 119.41 1xwn s ILE 56 Ca -0.01 -0.28 0.03 0.00 -2.23 0.00 0.00 60.65 58.16 1xwn s ILE 56 Cb -0.18 -0.91 0.14 0.00 -1.58 0.00 0.00 42.46 39.93 1xwn s ILE 56 CO -0.02 0.14 0.29 -0.63 -1.23 0.00 0.00 174.94 173.49 1xwn s ILE 57 N 1.82 2.08 0.80 2.92 1.01 -1.02 -4.85 121.20 123.96 1xwn s ILE 57 Ca 0.03 -3.13 -0.14 0.00 0.00 0.00 0.00 60.65 57.41 1xwn s ILE 57 Cb -0.14 -2.44 0.07 0.00 0.01 0.00 0.00 42.46 39.96 1xwn s ILE 57 CO -0.07 -0.88 1.13 1.17 0.00 0.00 0.00 174.94 176.29 1xwn n LYS 58 N 3.11 0.23 -1.82 2.79 3.00 -1.26 -2.00 118.16 122.21 1xwn n LYS 58 Ca 0.09 0.15 -0.10 0.00 -0.00 0.00 0.00 58.31 58.45 1xwn n LYS 58 Cb 0.34 -2.38 -0.02 0.00 0.00 0.00 0.00 35.03 32.97 1xwn n LYS 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1xwn n ASP 59 N -2.89 -3.80 0.00 3.14 8.00 -1.26 -4.73 116.55 115.01 1xwn n ASP 59 Ca 0.13 0.10 0.00 0.00 0.71 0.00 0.00 54.79 55.74 1xwn n ASP 59 Cb 0.50 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.91 1xwn n ASP 59 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 1xwn n PHE 60 N -3.45 0.00 -3.85 1.24 -0.00 -1.19 -4.89 117.46 105.32 1xwn n PHE 60 Ca -0.12 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.27 1xwn n PHE 60 Cb 0.49 0.00 -0.02 0.00 -0.00 0.00 0.00 39.48 39.95 1xwn n PHE 60 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1xwn s MET 61 N 0.00 1.75 0.09 -4.13 0.23 -0.85 -2.14 119.30 114.25 1xwn s MET 61 Ca 0.00 -0.97 -0.04 0.00 -1.03 0.00 0.00 55.69 53.65 1xwn s MET 61 Cb 0.00 0.59 -0.03 0.00 -1.53 0.00 0.00 34.83 33.87 1xwn s MET 61 CO 0.00 -0.80 0.08 0.96 -2.03 0.00 0.00 175.02 173.23 1xwn s ILE 62 N -3.86 0.16 0.04 3.16 -4.36 -0.84 -2.42 121.20 113.08 1xwn s ILE 62 Ca 0.11 -1.62 -0.10 0.00 -0.26 0.00 0.00 60.65 58.79 1xwn s ILE 62 Cb -0.06 -1.60 0.00 0.00 1.25 0.00 0.00 42.46 42.05 1xwn s ILE 62 CO 0.07 -0.73 0.20 0.00 0.24 0.00 0.00 174.94 174.71 1xwn s GLN 63 N -3.93 0.69 0.11 0.37 0.00 -1.03 0.81 119.66 116.67 1xwn s GLN 63 Ca 0.11 -0.62 0.08 0.00 -0.00 0.00 0.00 55.36 54.94 1xwn s GLN 63 Cb 0.07 0.29 -0.04 0.00 0.00 0.00 0.00 33.01 33.33 1xwn s GLN 63 CO -0.07 -0.20 -0.21 0.20 0.00 0.00 0.00 175.29 175.01 1xwn s GLY 64 N -2.05 1.28 0.69 2.60 0.00 -0.66 -4.00 107.32 105.17 1xwn s GLY 64 Ca -0.05 -1.28 0.02 0.00 0.00 0.00 0.00 44.72 43.40 1xwn s GLY 64 CO -0.04 -1.29 0.95 0.61 0.00 0.00 0.00 173.10 173.33 1xwn n GLY 65 N 1.00 0.90 2.14 0.20 0.00 -1.26 -3.46 105.19 104.71 1xwn n GLY 65 Ca -0.19 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.76 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 -2.80 -2.57 -3.29 1.61 2.03 -1.26 -4.96 116.55 105.32 1xwn n ASP 66 Ca 0.16 0.61 -0.21 0.00 0.52 0.00 0.00 54.79 55.88 1xwn n ASP 66 Cb 0.58 2.53 0.16 0.00 -0.72 0.00 0.00 41.12 43.67 1xwn n ASP 66 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1xwn n PRO 67 N -3.20 -1.53 -0.18 -0.67 -0.04 -1.26 -4.87 135.00 123.26 1xwn n PRO 67 Ca 0.00 -1.35 0.09 0.00 -0.04 0.00 0.00 63.50 62.20 1xwn n PRO 67 Cb 0.00 -1.03 0.39 0.00 -0.04 0.00 0.00 33.50 32.82 1xwn n PRO 67 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1xwn h THR 68 N -1.86 0.96 -0.04 0.52 1.03 -1.98 -3.46 112.91 108.08 1xwn h THR 68 Ca -0.29 -0.23 -0.01 0.00 -0.01 0.00 0.00 66.41 65.87 1xwn h THR 68 Cb 0.84 0.23 -0.00 0.00 -1.07 0.00 0.00 68.15 68.15 1xwn h THR 68 CO 0.20 0.12 -0.01 0.61 -0.01 0.00 0.00 175.52 176.44 1xwn n GLY 69 N -1.46 0.36 1.04 2.99 0.00 -1.26 -4.92 105.19 101.94 1xwn n GLY 69 Ca 0.12 -0.89 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1xwn n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xwn n THR 70 N -3.96 0.00 0.00 2.61 -2.24 -1.26 -5.07 114.28 104.36 1xwn n THR 70 Ca -0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1xwn n THR 70 Cb 0.48 -0.56 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 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 2.03 1.87 0.24 3.38 0.00 -1.26 -5.05 105.19 106.40 1xwn n GLY 71 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.22 0.44 -3.06 1.61 1.74 -1.26 -4.92 116.66 110.99 1xwn n ARG 72 Ca 0.00 0.15 -0.15 0.00 -0.77 0.00 0.00 57.85 57.08 1xwn n ARG 72 Cb 0.00 -1.29 -0.04 0.00 -1.02 0.00 0.00 32.46 30.11 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 -5.58 -0.09 -0.50 -0.13 0.00 -1.26 -5.06 107.32 94.70 1xwn s GLY 73 Ca -0.26 -1.38 0.04 0.00 0.00 0.00 0.00 44.72 43.12 1xwn s GLY 73 CO 0.39 2.93 0.38 -0.32 0.00 0.00 0.00 173.10 176.48 1xwn s GLY 74 N 0.50 1.75 0.21 0.20 0.00 -1.26 -4.55 107.32 104.16 1xwn s GLY 74 Ca 0.31 -2.88 0.10 0.00 0.00 0.00 0.00 44.72 42.26 1xwn s GLY 74 CO -0.12 1.78 -0.15 0.00 0.00 0.00 0.00 173.10 174.61 1xwn s ALA 75 N -0.38 2.80 0.42 3.20 0.00 -1.26 -4.73 121.76 121.79 1xwn s ALA 75 Ca 0.30 -1.61 0.03 0.00 0.00 0.00 0.00 51.96 50.68 1xwn s ALA 75 Cb -0.00 -0.53 -0.04 0.00 0.00 0.00 0.00 23.12 22.55 1xwn s ALA 75 CO -0.18 0.41 0.06 0.45 0.00 0.00 0.00 175.76 176.50 1xwn s SER 76 N -2.96 3.21 0.44 0.00 0.15 0.51 -4.97 113.70 110.08 1xwn s SER 76 Ca 0.25 -1.56 0.19 0.00 0.70 0.00 0.00 55.95 55.53 1xwn s SER 76 Cb -0.08 0.24 1.13 0.00 -1.71 0.00 0.00 66.02 65.61 1xwn s SER 76 CO 0.14 -0.76 1.89 0.16 1.20 0.00 0.00 173.24 175.87 1xwn h ILE 77 N 1.74 0.72 0.06 6.45 3.07 -2.00 -2.00 117.51 125.55 1xwn h ILE 77 Ca -0.40 -0.12 -0.34 0.00 1.55 0.00 0.00 64.86 65.55 1xwn h ILE 77 Cb 1.27 0.34 -0.04 0.00 -0.27 0.00 0.00 36.82 38.13 1xwn h ILE 77 CO 0.68 0.06 -1.99 -1.22 -1.05 0.00 0.00 178.15 174.63 1xwn n TYR 78 N -4.46 0.92 0.00 0.16 4.01 -1.26 -5.10 117.16 111.43 1xwn n TYR 78 Ca 0.17 0.24 0.00 0.00 -0.16 0.00 0.00 57.90 58.15 1xwn n TYR 78 Cb 0.65 -1.14 0.00 0.00 -0.31 0.00 0.00 39.34 38.54 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 1.86 -0.11 1.04 2.72 0.00 -0.75 -4.93 105.19 105.02 1xwn n GLY 79 Ca -0.29 -0.85 0.04 0.00 0.00 0.00 0.00 46.02 44.92 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 0.40 0.08 1.61 2.85 -1.26 -0.36 118.16 121.48 1xwn n LYS 80 Ca 0.00 -2.12 0.00 0.00 -1.05 0.00 0.00 58.31 55.14 1xwn n LYS 80 Cb 0.00 -0.51 0.00 0.00 -0.65 0.00 0.00 35.03 33.87 1xwn n LYS 80 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 177.40 178.39 1xwn n GLN 81 N -0.04 0.00 -0.91 -1.58 6.02 -1.26 -4.83 117.38 114.78 1xwn n GLN 81 Ca 0.08 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.20 1xwn n GLN 81 Cb 0.94 -0.05 -0.03 0.00 1.02 0.00 0.00 30.24 32.12 1xwn n GLN 81 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1xwn n PHE 82 N -3.09 -3.01 -4.61 1.08 3.01 -1.26 0.10 117.46 109.68 1xwn n PHE 82 Ca 0.00 1.13 -0.24 0.00 1.01 0.00 0.00 57.45 59.35 1xwn n PHE 82 Cb 0.02 -2.01 -0.16 0.00 -0.01 0.00 0.00 39.48 37.31 1xwn n PHE 82 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1xwn s GLU 83 N -1.45 1.64 0.54 -1.08 2.02 -1.26 -4.12 118.70 114.98 1xwn s GLU 83 Ca 0.00 -0.43 -0.22 0.00 0.02 0.00 0.00 54.97 54.34 1xwn s GLU 83 Cb 0.00 -1.38 -0.05 0.00 0.10 0.00 0.00 34.13 32.80 1xwn s GLU 83 CO 0.00 0.07 1.34 0.34 0.02 0.00 0.00 175.26 177.04 1xwn s ASP 84 N 0.51 5.36 -0.32 -0.19 2.15 -1.24 -4.94 116.67 117.99 1xwn s ASP 84 Ca -0.12 2.73 -0.01 0.00 0.43 0.00 0.00 52.55 55.59 1xwn s ASP 84 Cb -0.14 -2.63 0.10 0.00 -0.30 0.00 0.00 42.92 39.95 1xwn s ASP 84 CO 0.03 -1.50 0.11 -1.61 -0.17 0.00 0.00 175.17 172.03 1xwn s GLU 85 N -2.87 0.76 -0.19 4.34 2.02 -1.26 -4.98 118.70 116.51 1xwn s GLU 85 Ca 0.70 -1.16 -0.02 0.00 0.02 0.00 0.00 54.97 54.51 1xwn s GLU 85 Cb -0.40 -2.00 0.06 0.00 0.10 0.00 0.00 34.13 31.89 1xwn s GLU 85 CO 0.47 -1.01 0.01 -1.17 0.02 0.00 0.00 175.26 173.58 1xwn s LEU 86 N 1.49 1.42 0.32 1.80 2.96 -1.26 -4.70 118.68 120.71 1xwn s LEU 86 Ca 0.11 -0.83 0.03 0.00 -0.22 0.00 0.00 54.13 53.21 1xwn s LEU 86 Cb -0.18 -0.71 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 1xwn s LEU 86 CO -0.22 -0.28 0.11 -1.00 -1.32 0.00 0.00 176.35 173.64 1xwn s HIS 87 N 1.77 1.72 0.56 5.38 3.76 -1.26 -5.16 115.29 122.05 1xwn s HIS 87 Ca -0.01 -1.19 -0.09 0.00 -0.15 0.00 0.00 55.06 53.61 1xwn s HIS 87 Cb -0.17 -1.05 0.14 0.00 1.11 0.00 0.00 32.58 32.62 1xwn s HIS 87 CO -0.07 -0.28 0.32 -2.30 -0.85 0.00 0.00 174.74 171.55 1xwn n PRO 88 N -0.65 -2.90 -0.90 8.40 -0.02 -1.26 -4.88 135.00 132.79 1xwn n PRO 88 Ca -0.02 -0.54 0.12 0.00 -2.02 0.00 0.00 63.50 61.04 1xwn n PRO 88 Cb 0.66 -0.72 -0.03 0.00 -0.02 0.00 0.00 33.50 33.38 1xwn n PRO 88 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xwn n ASP 89 N -3.87 -5.32 -0.98 2.55 9.92 -1.26 -5.04 116.55 112.55 1xwn n ASP 89 Ca 0.05 0.37 0.12 0.00 -0.53 0.00 0.00 54.79 54.81 1xwn n ASP 89 Cb 0.22 -2.72 -0.05 0.00 -0.64 0.00 0.00 41.12 37.93 1xwn n ASP 89 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1xwn n LEU 90 N -3.05 -0.64 -3.60 0.64 4.77 -1.26 -5.05 117.00 108.80 1xwn n LEU 90 Ca 0.00 1.48 -0.11 0.00 -0.03 0.00 0.00 56.01 57.36 1xwn n LEU 90 Cb 0.41 -2.71 -0.04 0.00 -2.33 0.00 0.00 43.42 38.75 1xwn n LEU 90 CO 0.01 -1.80 0.22 -0.75 -1.33 0.00 0.00 177.39 173.74 1xwn s LYS 91 N -3.29 1.14 -0.46 3.23 2.36 -1.26 -5.13 119.74 116.34 1xwn s LYS 91 Ca 0.00 -0.67 -0.01 0.00 -2.55 0.00 0.00 55.97 52.74 1xwn s LYS 91 Cb 0.00 0.50 0.12 0.00 -1.05 0.00 0.00 37.83 37.40 1xwn s LYS 91 CO 0.00 -0.46 0.23 0.12 1.55 0.00 0.00 175.35 176.79 1xwn s PHE 92 N -3.80 3.54 0.22 4.03 5.36 -1.26 -4.94 117.98 121.13 1xwn s PHE 92 Ca 0.03 -2.71 0.02 0.00 -0.96 0.00 0.00 56.93 53.32 1xwn s PHE 92 Cb 0.01 -3.11 0.21 0.00 -0.34 0.00 0.00 43.02 39.79 1xwn s PHE 92 CO -0.11 -0.91 1.54 1.79 -1.46 0.00 0.00 175.22 176.06 1xwn h THR 93 N 6.06 1.37 0.00 0.12 1.35 -1.96 -3.37 112.91 116.48 1xwn h THR 93 Ca -0.08 -1.96 0.00 0.00 -0.55 0.00 0.00 66.41 63.82 1xwn h THR 93 Cb 1.00 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.39 1xwn h THR 93 CO 0.66 0.59 0.00 0.61 -0.25 0.00 0.00 175.52 177.13 1xwn n GLY 94 N 0.29 2.82 3.40 5.82 0.00 -1.26 -4.16 105.19 112.10 1xwn n GLY 94 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.73 3.16 -0.77 4.61 0.00 -1.25 -1.19 121.76 123.59 1xwn s ALA 95 Ca 0.00 -1.36 -0.02 0.00 0.00 0.00 0.00 51.96 50.58 1xwn s ALA 95 Cb 0.00 -2.21 -0.02 0.00 0.00 0.00 0.00 23.12 20.88 1xwn s ALA 95 CO 0.00 -0.83 0.66 0.41 0.00 0.00 0.00 175.76 176.00 1xwn n GLY 96 N 4.92 -0.30 3.06 0.00 0.00 0.22 -4.92 105.19 108.18 1xwn n GLY 96 Ca -0.15 0.11 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -3.26 1.09 -0.25 -0.61 -1.09 -0.96 -0.85 121.20 115.28 1xwn s ILE 97 Ca 0.15 -0.53 -0.08 0.00 -2.23 0.00 0.00 60.65 57.97 1xwn s ILE 97 Cb -0.02 -0.95 -0.03 0.00 -1.58 0.00 0.00 42.46 39.88 1xwn s ILE 97 CO 0.50 0.33 0.08 -0.76 -1.23 0.00 0.00 174.94 173.86 1xwn s LEU 98 N 0.12 3.49 -0.01 2.97 1.43 -0.94 -1.25 118.68 124.50 1xwn s LEU 98 Ca -0.03 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 52.95 1xwn s LEU 98 Cb -0.10 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 1xwn s LEU 98 CO 0.01 -0.03 -0.22 0.00 0.23 0.00 0.00 176.35 176.35 1xwn s ALA 99 N 1.57 2.37 -0.22 4.21 0.00 -1.10 -1.32 121.76 127.28 1xwn s ALA 99 Ca 0.06 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.63 1xwn s ALA 99 Cb -0.15 -0.69 0.01 0.00 0.00 0.00 0.00 23.12 22.29 1xwn s ALA 99 CO 0.04 0.54 1.08 -1.64 0.00 0.00 0.00 175.76 175.78 1xwn s MET 100 N -0.82 4.26 0.28 0.00 -1.94 0.29 -3.23 119.30 118.13 1xwn s MET 100 Ca 0.11 1.41 -0.28 0.00 -1.71 0.00 0.00 55.69 55.22 1xwn s MET 100 Cb -0.10 -3.66 -0.09 0.00 2.01 0.00 0.00 34.83 32.98 1xwn s MET 100 CO 0.01 -0.64 0.95 0.00 -0.01 0.00 0.00 175.02 175.32 1xwn s ALA 101 N 3.25 3.29 -0.27 3.03 0.00 -1.21 -2.61 121.76 127.23 1xwn s ALA 101 Ca 0.46 0.59 -0.07 0.00 0.00 0.00 0.00 51.96 52.94 1xwn s ALA 101 Cb -0.16 -3.21 0.13 0.00 0.00 0.00 0.00 23.12 19.88 1xwn s ALA 101 CO 0.07 0.18 0.56 0.54 0.00 0.00 0.00 175.76 177.11 1xwn s ASN 102 N -1.35 -0.83 0.43 0.00 4.22 -1.26 -4.51 114.94 111.64 1xwn s ASN 102 Ca 0.45 1.19 0.11 0.00 -2.14 0.00 0.00 52.86 52.47 1xwn s ASN 102 Cb -0.23 1.93 0.93 0.00 1.28 0.00 0.00 41.25 45.15 1xwn s ASN 102 CO 0.29 -0.24 1.99 0.00 -2.04 0.00 0.00 177.10 177.10 1xwn h ALA 103 N 8.06 1.66 -2.47 3.54 0.00 -1.95 -3.45 119.26 124.65 1xwn h ALA 103 Ca -0.18 -0.14 -0.52 0.00 0.00 0.00 0.00 54.91 54.07 1xwn h ALA 103 Cb 1.12 -0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.71 1xwn h ALA 103 CO 0.15 0.25 -0.49 0.20 0.00 0.00 0.00 179.25 179.37 1xwn s GLY 104 N -4.04 2.51 -0.03 0.00 0.00 -1.26 -5.03 107.32 99.46 1xwn s GLY 104 Ca -0.05 -1.76 0.00 0.00 0.00 0.00 0.00 44.72 42.91 1xwn s GLY 104 CO 0.71 -1.60 1.09 -1.55 0.00 0.00 0.00 173.10 171.76 1xwn n PRO 105 N -0.75 1.09 -1.48 2.90 -0.04 -1.26 -3.54 135.00 131.92 1xwn n PRO 105 Ca 0.03 -0.22 -0.00 0.00 -0.04 0.00 0.00 63.50 63.26 1xwn n PRO 105 Cb 0.63 -1.09 0.02 0.00 -0.04 0.00 0.00 33.50 33.02 1xwn n PRO 105 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1xwn n ASP 106 N 0.40 -0.23 -3.28 3.54 5.75 -1.26 -3.66 116.55 117.81 1xwn n ASP 106 Ca 0.04 -1.04 -0.22 0.00 -0.01 0.00 0.00 54.79 53.57 1xwn n ASP 106 Cb 0.59 0.10 -0.08 0.00 -1.03 0.00 0.00 41.12 40.70 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1xwn s THR 107 N 0.02 0.01 -0.70 2.12 2.01 -1.07 -4.35 115.64 113.68 1xwn s THR 107 Ca 0.01 -2.11 -0.09 0.00 0.31 0.00 0.00 61.69 59.82 1xwn s THR 107 Cb 0.06 -0.96 0.18 0.00 0.01 0.00 0.00 72.50 71.79 1xwn s THR 107 CO -0.02 -0.94 0.57 0.20 -0.69 0.00 0.00 174.62 173.75 1xwn s ASN 108 N 0.43 5.97 0.00 3.53 -0.87 0.28 -3.75 114.94 120.52 1xwn s ASN 108 Ca 0.29 -2.67 0.00 0.00 -1.57 0.00 0.00 52.86 48.92 1xwn s ASN 108 Cb -0.01 -2.03 0.00 0.00 -0.02 0.00 0.00 41.25 39.19 1xwn s ASN 108 CO -0.14 -0.50 0.00 0.61 -2.57 0.00 0.00 177.10 174.50 1xwn n GLY 109 N 3.88 -0.57 2.12 0.66 0.00 -1.26 -4.58 105.19 105.42 1xwn n GLY 109 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.07 1xwn n GLY 109 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1xwn n SER 110 N 0.00 -0.97 -4.52 1.61 7.64 -1.26 -5.01 113.62 111.10 1xwn n SER 110 Ca 0.00 -2.13 -0.24 0.00 1.01 0.00 0.00 58.87 57.52 1xwn n SER 110 Cb 0.00 0.43 -0.09 0.00 -1.01 0.00 0.00 64.21 63.54 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 -0.23 1.85 0.23 1.43 -0.21 -1.26 -4.12 119.66 117.34 1xwn s GLN 111 Ca 0.09 -1.68 -0.22 0.00 0.02 0.00 0.00 55.36 53.57 1xwn s GLN 111 Cb 0.30 -1.87 0.04 0.00 1.00 0.00 0.00 33.01 32.48 1xwn s GLN 111 CO -0.08 0.33 0.66 -0.59 -2.12 0.00 0.00 175.29 173.48 1xwn s PHE 112 N -2.47 -0.33 -0.01 0.91 -0.71 -1.22 -3.35 117.98 110.80 1xwn s PHE 112 Ca 0.31 -0.03 0.01 0.00 -1.04 0.00 0.00 56.93 56.18 1xwn s PHE 112 Cb -0.05 0.63 0.01 0.00 -1.21 0.00 0.00 43.02 42.40 1xwn s PHE 112 CO 0.16 -1.06 -0.02 -0.59 -1.34 0.00 0.00 175.22 172.37 1xwn s PHE 113 N -3.85 0.29 -0.38 3.49 -0.71 -1.20 -1.66 117.98 113.96 1xwn s PHE 113 Ca 0.07 -0.04 -0.12 0.00 -1.04 0.00 0.00 56.93 55.80 1xwn s PHE 113 Cb -0.04 -0.25 0.02 0.00 -1.21 0.00 0.00 43.02 41.54 1xwn s PHE 113 CO -0.02 -0.04 0.24 0.08 -1.34 0.00 0.00 175.22 174.14 1xwn s VAL 114 N 0.27 4.84 0.02 -2.49 1.01 0.24 -2.70 120.40 121.60 1xwn s VAL 114 Ca -0.02 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.91 1xwn s VAL 114 Cb -0.05 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.61 1xwn s VAL 114 CO -0.01 -0.24 0.98 0.42 0.00 0.00 0.00 175.10 176.26 1xwn s THR 115 N 1.61 4.77 -0.11 3.92 -4.23 -0.38 -2.00 115.64 119.22 1xwn s THR 115 Ca 0.03 2.04 0.06 0.00 -1.18 0.00 0.00 61.69 62.64 1xwn s THR 115 Cb -0.19 -4.31 -0.08 0.00 1.34 0.00 0.00 72.50 69.26 1xwn s THR 115 CO 0.08 0.19 0.17 0.00 -0.54 0.00 0.00 174.62 174.52 1xwn n LEU 116 N 3.69 0.11 -4.71 4.79 -0.00 -0.36 0.70 117.00 121.22 1xwn n LEU 116 Ca 0.05 -0.20 -0.28 0.00 -0.00 0.00 0.00 56.01 55.58 1xwn n LEU 116 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.85 1xwn n LEU 116 CO 0.52 0.03 -0.31 0.00 -0.00 0.00 0.00 177.39 177.63 1xwn s ALA 117 N -2.05 3.33 -0.42 1.47 0.00 -0.33 -4.14 121.76 119.62 1xwn s ALA 117 Ca -0.00 -1.20 -0.27 0.00 0.00 0.00 0.00 51.96 50.48 1xwn s ALA 117 Cb 0.04 -1.18 -0.04 0.00 0.00 0.00 0.00 23.12 21.94 1xwn s ALA 117 CO 0.24 0.60 2.11 -1.25 0.00 0.00 0.00 175.76 177.46 1xwn s PRO 118 N -2.66 2.71 -0.41 0.00 0.04 -1.26 -4.08 135.00 129.34 1xwn s PRO 118 Ca 0.27 1.37 0.09 0.00 0.04 0.00 0.00 61.00 62.78 1xwn s PRO 118 Cb -0.11 -4.41 0.27 0.00 0.04 0.00 0.00 34.50 30.30 1xwn s PRO 118 CO 0.20 -2.59 0.59 0.25 0.04 0.00 0.00 177.00 175.49 1xwn n THR 119 N 7.65 -0.30 0.08 1.26 -2.24 -1.26 -4.93 114.28 114.53 1xwn n THR 119 Ca 0.29 -4.25 -0.04 0.00 -2.27 0.00 0.00 64.05 57.77 1xwn n THR 119 Cb 0.50 -1.57 0.16 0.00 -2.10 0.00 0.00 70.33 67.32 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 3.76 0.27 0.00 -0.78 7.50 -1.84 -2.92 115.11 121.10 1xwn h GLN 120 Ca 0.09 -0.16 -0.01 0.00 0.50 0.00 0.00 58.65 59.07 1xwn h GLN 120 Cb 0.88 0.01 -0.00 0.00 0.05 0.00 0.00 27.48 28.42 1xwn h GLN 120 CO 0.50 0.71 -0.02 0.11 -1.50 0.00 0.00 178.83 178.63 1xwn h TRP 121 N 0.22 0.00 0.00 2.96 0.09 -1.92 -0.73 115.95 116.57 1xwn h TRP 121 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.99 1xwn h TRP 121 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.20 1xwn h TRP 121 CO 0.02 0.02 0.00 1.28 0.09 0.00 0.00 178.44 179.86 1xwn n LEU 122 N -4.38 0.28 -4.57 0.11 4.77 -1.10 -4.57 117.00 107.53 1xwn n LEU 122 Ca -0.03 0.55 -0.24 0.00 -0.03 0.00 0.00 56.01 56.27 1xwn n LEU 122 Cb 0.11 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 1xwn n LEU 122 CO 0.33 -0.28 1.35 -0.62 -1.33 0.00 0.00 177.39 176.84 1xwn s ASP 123 N -3.53 4.70 0.00 -1.43 2.15 -0.28 -2.83 116.67 115.45 1xwn s ASP 123 Ca 0.08 -0.95 0.00 0.00 0.43 0.00 0.00 52.55 52.11 1xwn s ASP 123 Cb 0.12 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.16 1xwn s ASP 123 CO 0.39 -3.29 0.00 0.61 -0.17 0.00 0.00 175.17 172.72 1xwn n GLY 124 N 6.40 0.40 0.14 2.66 0.00 -1.26 -4.99 105.19 108.54 1xwn n GLY 124 Ca 0.43 -0.03 -0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 0.42 -5.68 1.61 1.57 -1.87 -3.44 116.57 109.17 1xwn h LYS 125 Ca 0.00 -0.39 -0.67 0.00 -1.87 0.00 0.00 60.65 57.73 1xwn h LYS 125 Cb 0.00 0.09 -0.24 0.00 0.08 0.00 0.00 32.23 32.16 1xwn h LYS 125 CO 0.00 1.04 -0.74 -1.01 -0.57 0.00 0.00 179.45 178.17 1xwn s HIS 126 N -3.44 2.83 0.70 -1.35 3.76 -1.26 -4.83 115.29 111.71 1xwn s HIS 126 Ca -0.13 -0.38 -0.11 0.00 -0.15 0.00 0.00 55.06 54.29 1xwn s HIS 126 Cb 0.04 -1.79 0.01 0.00 1.11 0.00 0.00 32.58 31.95 1xwn s HIS 126 CO 0.81 -0.01 1.09 -0.08 -0.85 0.00 0.00 174.74 175.71 1xwn s THR 127 N -0.08 3.54 0.74 1.30 -1.32 -1.07 -4.87 115.64 113.88 1xwn s THR 127 Ca -0.01 0.50 -0.03 0.00 -1.21 0.00 0.00 61.69 60.94 1xwn s THR 127 Cb -0.14 -3.49 0.15 0.00 -1.51 0.00 0.00 72.50 67.52 1xwn s THR 127 CO 0.03 -0.65 1.02 0.00 -2.21 0.00 0.00 174.62 172.81 1xwn n ILE 128 N -3.00 0.00 0.00 5.08 3.06 -1.26 0.11 119.36 123.34 1xwn n ILE 128 Ca 0.07 -1.43 0.00 0.00 -2.50 0.00 0.00 62.75 58.89 1xwn n ILE 128 Cb 0.57 -1.01 0.00 0.00 0.54 0.00 0.00 39.64 39.74 1xwn n ILE 128 CO 0.00 0.00 0.00 2.22 -2.50 0.00 0.00 176.55 176.27 1xwn n PHE 129 N -2.97 0.00 -4.11 9.51 -1.74 -1.13 -3.50 117.46 113.52 1xwn n PHE 129 Ca 0.16 0.00 -0.16 0.00 -0.56 0.00 0.00 57.45 56.89 1xwn n PHE 129 Cb 0.57 0.00 -0.04 0.00 1.52 0.00 0.00 39.48 41.53 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 -0.21 2.24 3.14 4.97 0.00 -0.44 -3.43 105.19 111.47 1xwn n GLY 130 Ca 0.00 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.92 0.54 -0.48 1.61 3.00 -0.39 -2.20 118.95 118.11 1xwn s ARG 131 Ca 0.32 -0.37 -0.09 0.00 -1.00 0.00 0.00 55.73 54.59 1xwn s ARG 131 Cb -0.00 0.23 0.12 0.00 0.00 0.00 0.00 34.95 35.30 1xwn s ARG 131 CO 0.23 -0.14 0.35 0.08 0.00 0.00 0.00 175.30 175.82 1xwn s VAL 132 N -1.46 4.21 -0.25 7.11 1.01 -0.03 -1.29 120.40 129.70 1xwn s VAL 132 Ca -0.14 -1.82 -0.09 0.00 0.00 0.00 0.00 61.98 59.93 1xwn s VAL 132 Cb -0.07 -3.77 -0.15 0.00 0.00 0.00 0.00 36.38 32.39 1xwn s VAL 132 CO 0.02 -0.78 -0.21 0.00 0.00 0.00 0.00 175.10 174.13 1xwn s GLN 134 N -2.50 1.68 0.00 0.00 0.74 -1.25 -4.65 119.66 113.67 1xwn s GLN 134 Ca -0.35 -2.15 0.00 0.00 0.05 0.00 0.00 55.36 52.90 1xwn s GLN 134 Cb 0.11 -3.26 0.00 0.00 1.10 0.00 0.00 33.01 30.97 1xwn s GLN 134 CO 0.56 -1.00 0.00 0.41 -0.55 0.00 0.00 175.29 174.70 1xwn n GLY 135 N 3.84 0.50 0.42 2.59 0.00 -1.26 0.94 105.19 112.21 1xwn n GLY 135 Ca 0.04 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.32 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 0.42 -0.41 -0.61 2.10 -1.82 0.73 117.51 117.91 1xwn h ILE 136 Ca 0.00 -0.11 -0.00 0.00 1.08 0.00 0.00 64.86 65.83 1xwn h ILE 136 Cb 0.00 0.08 -0.02 0.00 -1.09 0.00 0.00 36.82 35.79 1xwn h ILE 136 CO 0.00 0.06 0.24 1.23 -1.08 0.00 0.00 178.15 178.60 1xwn h GLY 137 N 0.32 0.60 1.01 8.18 0.00 -1.95 -1.54 103.07 109.70 1xwn h GLY 137 Ca 0.65 -0.26 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 1xwn h GLY 137 CO -0.34 0.25 0.04 1.98 0.00 0.00 0.00 176.54 178.47 1xwn h MET 138 N 0.54 0.88 -0.74 4.80 1.85 -1.19 -2.75 114.93 118.32 1xwn h MET 138 Ca 0.15 -0.26 0.04 0.00 -0.61 0.00 0.00 59.70 59.01 1xwn h MET 138 Cb 0.03 -0.09 -0.04 0.00 0.43 0.00 0.00 31.60 31.92 1xwn h MET 138 CO -0.03 0.89 0.49 0.28 -0.40 0.00 0.00 176.91 178.15 1xwn h VAL 139 N 0.76 1.11 -0.49 -5.77 2.07 -1.13 -1.45 116.25 111.34 1xwn h VAL 139 Ca 0.15 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1xwn h VAL 139 Cb 0.47 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.35 1xwn h VAL 139 CO 0.02 0.16 0.12 0.78 0.02 0.00 0.00 177.57 178.67 1xwn h ASN 140 N 0.89 0.68 -0.76 0.57 2.35 -0.99 -2.73 115.58 115.59 1xwn h ASN 140 Ca 0.30 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.93 1xwn h ASN 140 Cb 0.07 -0.18 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 1xwn h ASN 140 CO -0.09 0.67 0.47 0.03 -1.65 0.00 0.00 177.43 176.86 1xwn h ARG 141 N 0.71 1.03 -0.51 0.81 3.08 -1.11 0.58 114.38 118.98 1xwn h ARG 141 Ca 0.16 -0.09 0.05 0.00 0.07 0.00 0.00 59.98 60.17 1xwn h ARG 141 Cb 0.26 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.06 1xwn h ARG 141 CO -0.00 0.72 0.34 0.28 -1.07 0.00 0.00 179.97 180.24 1xwn h VAL 142 N 1.04 1.01 0.09 2.04 2.07 -1.37 -2.45 116.25 118.68 1xwn h VAL 142 Ca 0.27 -0.17 -0.34 0.00 0.82 0.00 0.00 66.70 67.29 1xwn h VAL 142 Cb -0.05 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1xwn h VAL 142 CO -0.05 0.09 -1.86 1.23 0.02 0.00 0.00 177.57 177.00 1xwn h GLY 143 N 0.50 0.21 0.51 2.17 0.00 -1.36 -3.36 103.07 101.74 1xwn h GLY 143 Ca 0.21 -0.53 0.16 0.00 0.00 0.00 0.00 47.33 47.17 1xwn h GLY 143 CO -0.06 0.47 0.56 -0.33 0.00 0.00 0.00 176.54 177.18 1xwn h MET 144 N 0.05 0.52 -7.18 4.80 2.07 0.51 -3.42 114.93 112.28 1xwn h MET 144 Ca -0.36 -0.03 -0.42 0.00 -2.07 0.00 0.00 59.70 56.82 1xwn h MET 144 Cb 2.03 -0.12 0.20 0.00 -1.87 0.00 0.00 31.60 31.84 1xwn h MET 144 CO 0.09 0.34 0.01 0.14 1.07 0.00 0.00 176.91 178.57 1xwn s VAL 145 N -5.54 1.71 1.17 -2.22 -7.23 -0.96 -5.03 120.40 102.32 1xwn s VAL 145 Ca -0.09 0.00 -0.20 0.00 -1.81 0.00 0.00 61.98 59.88 1xwn s VAL 145 Cb 0.22 -2.19 0.29 0.00 0.56 0.00 0.00 36.38 35.26 1xwn s VAL 145 CO 0.78 0.00 1.18 -0.62 -0.31 0.00 0.00 175.10 176.13 1xwn n GLU 146 N -5.03 -2.62 -4.09 4.82 -0.58 -1.26 -4.97 120.64 106.91 1xwn n GLU 146 Ca 0.07 -1.86 -0.14 0.00 -0.42 0.00 0.00 57.16 54.80 1xwn n GLU 146 Cb 0.57 -1.58 -0.04 0.00 -0.57 0.00 0.00 31.44 29.82 1xwn n GLU 146 CO 0.00 0.00 0.00 0.95 -0.48 0.00 0.00 177.13 177.60 1xwn s THR 147 N -3.29 0.00 0.27 2.62 -4.23 -1.26 -3.11 115.64 106.64 1xwn s THR 147 Ca 0.73 -1.60 -0.02 0.00 -1.18 0.00 0.00 61.69 59.62 1xwn s THR 147 Cb -0.06 -2.61 0.06 0.00 1.34 0.00 0.00 72.50 71.23 1xwn s THR 147 CO 0.55 0.00 0.37 -3.20 -0.54 0.00 0.00 174.62 171.79 1xwn n ASN 148 N -1.32 0.26 -1.72 3.99 2.85 -0.35 -4.76 115.26 114.20 1xwn n ASN 148 Ca 0.01 -1.27 -0.11 0.00 -0.11 0.00 0.00 54.58 53.09 1xwn n ASN 148 Cb 0.62 -0.26 0.15 0.00 1.24 0.00 0.00 39.78 41.53 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.20 -2.11 0.00 0.00 177.26 173.95 1xwn n SER 149 N -3.10 3.63 0.00 1.20 7.64 -1.26 -4.53 113.62 117.19 1xwn n SER 149 Ca 0.05 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.98 1xwn n SER 149 Cb 0.19 -0.70 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 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 -0.36 0.00 0.00 1.43 1.13 -1.26 -5.06 117.38 113.25 1xwn n GLN 150 Ca 0.35 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.41 1xwn n GLN 150 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 30.24 31.53 1xwn n GLN 150 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1xwn n ASP 151 N -2.21 0.00 -4.03 1.08 2.03 -1.26 -5.14 116.55 107.02 1xwn n ASP 151 Ca 0.00 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.00 1xwn n ASP 151 Cb 0.00 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.24 1xwn n ASP 151 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1xwn s ARG 152 N 0.00 2.30 0.15 -0.67 3.00 -1.26 -4.55 118.95 117.92 1xwn s ARG 152 Ca 0.00 -0.83 -0.33 0.00 0.00 0.00 0.00 55.73 54.56 1xwn s ARG 152 Cb 0.00 -2.43 -0.13 0.00 0.00 0.00 0.00 34.95 32.39 1xwn s ARG 152 CO 0.00 -0.36 1.64 -2.30 0.00 0.00 0.00 175.30 174.28 1xwn n PRO 153 N 4.66 2.29 0.01 3.54 -0.02 -1.26 -1.21 135.00 143.01 1xwn n PRO 153 Ca -0.16 0.83 -0.07 0.00 -2.02 0.00 0.00 63.50 62.08 1xwn n PRO 153 Cb 0.47 -2.62 0.11 0.00 -0.02 0.00 0.00 33.50 31.45 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 3.82 1.31 -2.35 -1.45 3.04 -1.84 -3.45 116.25 115.33 1xwn h VAL 154 Ca -0.45 -1.61 -0.13 0.00 -1.01 0.00 0.00 66.70 63.50 1xwn h VAL 154 Cb 1.24 1.62 0.06 0.00 -2.01 0.00 0.00 31.29 32.20 1xwn h VAL 154 CO 0.91 0.50 0.09 0.47 -1.01 0.00 0.00 177.57 178.53 1xwn n ASP 155 N -4.01 -0.59 -3.77 3.17 9.92 -1.26 -5.05 116.55 114.95 1xwn n ASP 155 Ca -0.02 -0.95 -0.30 0.00 -0.53 0.00 0.00 54.79 53.00 1xwn n ASP 155 Cb 0.53 -0.31 -0.13 0.00 -0.64 0.00 0.00 41.12 40.56 1xwn n ASP 155 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1xwn s ASP 156 N -2.47 3.85 -0.24 -2.24 1.01 -1.26 -5.09 116.67 110.23 1xwn s ASP 156 Ca 0.23 -2.62 -0.09 0.00 0.71 0.00 0.00 52.55 50.77 1xwn s ASP 156 Cb -0.01 -1.17 -0.04 0.00 1.01 0.00 0.00 42.92 42.70 1xwn s ASP 156 CO 0.17 -0.27 0.12 0.54 0.21 0.00 0.00 175.17 175.93 1xwn s VAL 157 N 0.32 4.93 -0.19 -1.27 0.11 -1.26 -4.39 120.40 118.65 1xwn s VAL 157 Ca 0.17 0.03 -0.09 0.00 -2.93 0.00 0.00 61.98 59.16 1xwn s VAL 157 Cb -0.24 -3.30 0.07 0.00 -1.53 0.00 0.00 36.38 31.38 1xwn s VAL 157 CO -0.01 0.34 0.45 -1.59 -3.33 0.00 0.00 175.10 170.96 1xwn s LYS 158 N 1.24 0.41 0.05 1.54 -2.85 -1.26 -3.07 119.74 115.81 1xwn s LYS 158 Ca 0.06 0.92 -0.29 0.00 -1.00 0.00 0.00 55.97 55.67 1xwn s LYS 158 Cb -0.14 0.12 -0.05 0.00 -2.06 0.00 0.00 37.83 35.70 1xwn s LYS 158 CO 0.05 -0.19 0.91 0.42 0.10 0.00 0.00 175.35 176.64 1xwn s ILE 159 N 1.82 4.69 -0.06 3.79 1.01 -0.18 0.49 121.20 132.75 1xwn s ILE 159 Ca -0.07 1.94 0.04 0.00 0.00 0.00 0.00 60.65 62.55 1xwn s ILE 159 Cb -0.09 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.05 1xwn s ILE 159 CO -0.14 0.28 -0.01 -0.38 0.00 0.00 0.00 174.94 174.69 1xwn n ILE 160 N 3.18 0.41 -4.44 2.92 -0.00 -0.95 0.57 119.36 121.05 1xwn n ILE 160 Ca 0.02 -0.22 -0.22 0.00 -0.00 0.00 0.00 62.75 62.33 1xwn n ILE 160 Cb 0.50 -0.82 -0.13 0.00 -0.00 0.00 0.00 39.64 39.19 1xwn n ILE 160 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1xwn s LYS 161 N -2.15 1.12 -0.48 0.38 1.02 -0.32 -4.00 119.74 115.31 1xwn s LYS 161 Ca -0.06 -0.88 0.07 0.00 0.02 0.00 0.00 55.97 55.12 1xwn s LYS 161 Cb 0.02 -1.19 0.18 0.00 -0.52 0.00 0.00 37.83 36.32 1xwn s LYS 161 CO 0.22 0.30 0.64 0.00 -0.92 0.00 0.00 175.35 175.58 1xwn s ALA 162 N -0.89 -1.63 0.03 5.17 0.00 -1.26 -0.90 121.76 122.28 1xwn s ALA 162 Ca 0.04 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.50 1xwn s ALA 162 Cb -0.09 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.47 1xwn s ALA 162 CO 0.02 -2.20 -0.23 1.52 0.00 0.00 0.00 175.76 174.87 1xwn s TYR 163 N 1.00 2.03 0.43 0.00 1.13 -1.12 -4.24 117.35 116.57 1xwn s TYR 163 Ca 0.27 -0.39 -0.20 0.00 -1.41 0.00 0.00 57.07 55.34 1xwn s TYR 163 Cb -0.01 -1.23 -0.11 0.00 -1.10 0.00 0.00 41.96 39.51 1xwn s TYR 163 CO -0.07 0.08 0.94 -1.25 -2.51 0.00 0.00 175.55 172.73 1xwn s PRO 164 N -1.06 4.20 -0.21 -3.49 0.04 -1.26 -2.00 135.00 131.22 1xwn s PRO 164 Ca 0.09 1.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.92 1xwn s PRO 164 Cb -0.09 -2.20 0.15 0.00 0.04 0.00 0.00 34.50 32.40 1xwn s PRO 164 CO 0.01 -0.03 1.11 0.45 0.04 0.00 0.00 177.00 178.58 1xwn s SER 165 N -2.24 -0.28 0.00 6.66 0.15 -1.06 -4.90 113.70 112.02 1xwn s SER 165 Ca 0.61 0.33 0.26 0.00 0.70 0.00 0.00 55.95 57.86 1xwn s SER 165 Cb -0.09 0.27 0.66 0.00 -1.71 0.00 0.00 66.02 65.15 1xwn s SER 165 CO 0.14 -0.23 1.52 0.61 1.20 0.00 0.00 173.24 176.49