#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 3.42 0.00 3.17 0.00 -1.26 -5.08 121.76 122.02 1xwn s ALA 2 Ca 0.00 -1.97 -0.24 0.00 0.00 0.00 0.00 51.96 49.75 1xwn s ALA 2 Cb 0.00 0.01 -0.16 0.00 0.00 0.00 0.00 23.12 22.98 1xwn s ALA 2 CO 0.00 -0.12 1.15 0.00 0.00 0.00 0.00 175.76 176.79 1xwn h ALA 3 N 1.61 -0.50 -2.92 0.00 0.00 -2.13 -3.41 119.26 111.91 1xwn h ALA 3 Ca -0.44 -0.19 -0.59 0.00 0.00 0.00 0.00 54.91 53.70 1xwn h ALA 3 Cb 1.25 0.19 -0.40 0.00 0.00 0.00 0.00 17.79 18.84 1xwn h ALA 3 CO 0.77 -0.60 -0.77 0.42 0.00 0.00 0.00 179.25 179.07 1xwn s ILE 4 N -4.50 0.77 1.01 0.00 1.01 -1.26 -5.14 121.20 113.10 1xwn s ILE 4 Ca -0.14 -1.79 -0.14 0.00 0.00 0.00 0.00 60.65 58.59 1xwn s ILE 4 Cb 0.02 -1.56 0.10 0.00 0.01 0.00 0.00 42.46 41.02 1xwn s ILE 4 CO 0.50 -0.83 0.46 -2.65 0.00 0.00 0.00 174.94 172.42 1xwn n PRO 5 N 4.26 -0.88 -2.06 2.79 -0.02 -1.26 -4.89 135.00 132.93 1xwn n PRO 5 Ca 0.04 -0.22 -0.42 0.00 -2.02 0.00 0.00 63.50 60.88 1xwn n PRO 5 Cb 0.38 -1.92 -0.03 0.00 -0.02 0.00 0.00 33.50 31.92 1xwn n PRO 5 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1xwn s PRO 6 N -3.80 4.24 0.17 0.52 0.04 -1.26 -5.02 135.00 129.88 1xwn s PRO 6 Ca 0.59 2.16 0.11 0.00 0.04 0.00 0.00 61.00 63.90 1xwn s PRO 6 Cb -0.19 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1xwn s PRO 6 CO 0.66 -0.66 -0.21 -0.51 0.04 0.00 0.00 177.00 176.32 1xwn s ASP 7 N 2.14 3.62 -1.35 6.66 1.01 -1.26 -5.03 116.67 122.46 1xwn s ASP 7 Ca 0.69 -0.76 -0.09 0.00 0.71 0.00 0.00 52.55 53.10 1xwn s ASP 7 Cb -0.36 -0.37 -0.11 0.00 1.01 0.00 0.00 42.92 43.09 1xwn s ASP 7 CO 0.30 0.14 3.06 -1.20 0.21 0.00 0.00 175.17 177.67 1xwn n SER 8 N 0.40 8.17 -1.07 0.27 7.64 -1.26 -4.86 113.62 122.91 1xwn n SER 8 Ca -0.14 -2.58 0.00 0.00 1.01 0.00 0.00 58.87 57.17 1xwn n SER 8 Cb 0.55 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.22 1xwn n SER 8 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1xwn n TRP 9 N 3.33 -2.96 -4.14 1.43 7.02 -1.26 -5.01 117.44 115.86 1xwn n TRP 9 Ca 0.72 1.59 -0.26 0.00 -1.02 0.00 0.00 57.50 58.53 1xwn n TRP 9 Cb 0.35 -2.67 -0.17 0.00 -2.42 0.00 0.00 31.31 26.40 1xwn n TRP 9 CO 0.00 0.00 0.00 -1.14 -2.02 0.00 0.00 177.69 174.53 1xwn s GLN 10 N -4.64 1.51 -0.26 -0.99 0.74 -1.26 -5.10 119.66 109.66 1xwn s GLN 10 Ca 0.00 -0.29 -0.28 0.00 0.05 0.00 0.00 55.36 54.84 1xwn s GLN 10 Cb 0.00 -1.47 -0.04 0.00 1.10 0.00 0.00 33.01 32.60 1xwn s GLN 10 CO 0.00 -0.16 2.09 -1.25 -0.55 0.00 0.00 175.29 175.42 1xwn s PRO 11 N 1.33 3.17 -1.14 1.67 0.04 -1.26 -4.87 135.00 133.94 1xwn s PRO 11 Ca -0.02 1.83 -0.11 0.00 0.04 0.00 0.00 61.00 62.74 1xwn s PRO 11 Cb -0.14 -4.32 -0.07 0.00 0.04 0.00 0.00 34.50 30.01 1xwn s PRO 11 CO -0.04 -2.05 2.31 -2.30 0.04 0.00 0.00 177.00 174.96 1xwn n PRO 12 N 8.67 2.49 -3.51 0.56 -0.02 -1.26 -4.91 135.00 137.03 1xwn n PRO 12 Ca 0.28 -1.86 -0.22 0.00 -2.02 0.00 0.00 63.50 59.68 1xwn n PRO 12 Cb 0.46 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.20 1xwn n PRO 12 CO 0.00 0.00 0.00 -0.80 1.98 0.00 0.00 175.50 176.68 1xwn s ASN 13 N 3.35 6.18 -0.04 2.55 0.02 -1.26 -2.60 114.94 123.14 1xwn s ASN 13 Ca 0.51 0.22 0.01 0.00 -1.02 0.00 0.00 52.86 52.59 1xwn s ASN 13 Cb 0.13 -1.79 0.02 0.00 0.02 0.00 0.00 41.25 39.64 1xwn s ASN 13 CO -0.02 -0.31 -0.05 -0.69 0.02 0.00 0.00 177.10 176.04 1xwn s VAL 14 N -2.23 0.57 -0.71 1.60 1.01 0.13 -4.08 120.40 116.68 1xwn s VAL 14 Ca 0.40 -0.17 -0.20 0.00 0.00 0.00 0.00 61.98 62.01 1xwn s VAL 14 Cb -0.09 -0.57 0.10 0.00 0.00 0.00 0.00 36.38 35.82 1xwn s VAL 14 CO 0.34 0.22 0.91 -0.31 0.00 0.00 0.00 175.10 176.26 1xwn s TYR 15 N 0.71 2.95 -0.61 5.22 1.51 0.11 -2.46 117.35 124.78 1xwn s TYR 15 Ca -0.10 -0.97 -0.17 0.00 -1.01 0.00 0.00 57.07 54.82 1xwn s TYR 15 Cb -0.13 -4.18 0.13 0.00 -0.11 0.00 0.00 41.96 37.67 1xwn s TYR 15 CO 0.00 -1.46 0.65 -0.51 -1.11 0.00 0.00 175.55 173.12 1xwn s LEU 16 N 3.06 5.83 -0.21 -1.29 1.43 -0.55 -3.10 118.68 123.85 1xwn s LEU 16 Ca 0.21 -1.72 -0.22 0.00 -1.03 0.00 0.00 54.13 51.36 1xwn s LEU 16 Cb -0.16 -2.26 -0.02 0.00 0.03 0.00 0.00 46.19 43.78 1xwn s LEU 16 CO 0.03 -0.96 0.71 -0.70 0.23 0.00 0.00 176.35 175.66 1xwn s GLU 17 N 2.01 4.21 0.23 1.70 -6.30 -0.51 -2.17 118.70 117.87 1xwn s GLU 17 Ca 0.10 0.76 0.05 0.00 -2.50 0.00 0.00 54.97 53.38 1xwn s GLU 17 Cb -0.24 -3.60 -0.05 0.00 0.00 0.00 0.00 34.13 30.23 1xwn s GLU 17 CO 0.03 -0.34 -0.06 -0.08 0.02 0.00 0.00 175.26 174.83 1xwn s THR 18 N 2.25 1.37 0.26 -1.70 -1.32 -0.26 -1.29 115.64 114.96 1xwn s THR 18 Ca 0.32 -2.10 0.02 0.00 -1.21 0.00 0.00 61.69 58.72 1xwn s THR 18 Cb -0.16 -2.26 0.04 0.00 -1.51 0.00 0.00 72.50 68.61 1xwn s THR 18 CO 0.10 -0.42 1.68 -1.28 -2.21 0.00 0.00 174.62 172.49 1xwn h SER 19 N 2.46 0.49 0.31 8.08 0.87 0.59 -2.69 113.55 123.67 1xwn h SER 19 Ca -0.39 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 59.90 1xwn h SER 19 Cb 1.22 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.03 1xwn h SER 19 CO 0.65 0.78 -0.37 -0.03 -0.53 0.00 0.00 176.83 177.34 1xwn h MET 20 N 0.41 0.08 0.00 2.24 1.85 -1.82 -3.47 114.93 114.22 1xwn h MET 20 Ca 0.05 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.11 1xwn h MET 20 Cb 0.76 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.78 1xwn h MET 20 CO 0.06 0.44 0.00 0.41 -0.40 0.00 0.00 176.91 177.42 1xwn n GLY 21 N -0.41 -0.70 2.86 1.39 0.00 -1.01 -5.08 105.19 102.24 1xwn n GLY 21 Ca -0.02 -0.34 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 1xwn n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xwn s ILE 22 N -4.00 -0.03 0.03 -0.61 1.01 -1.26 -1.10 121.20 115.23 1xwn s ILE 22 Ca 0.00 0.10 0.01 0.00 0.00 0.00 0.00 60.65 60.76 1xwn s ILE 22 Cb 0.00 -0.08 -0.02 0.00 0.01 0.00 0.00 42.46 42.37 1xwn s ILE 22 CO 0.00 0.04 -0.05 0.27 0.00 0.00 0.00 174.94 175.20 1xwn s ILE 23 N 0.54 0.32 -0.15 2.92 -4.36 -0.92 -4.67 121.20 114.87 1xwn s ILE 23 Ca -0.04 -0.82 0.02 0.00 -0.26 0.00 0.00 60.65 59.54 1xwn s ILE 23 Cb -0.06 -0.40 0.01 0.00 1.25 0.00 0.00 42.46 43.26 1xwn s ILE 23 CO -0.02 -0.33 -0.21 -0.69 0.24 0.00 0.00 174.94 173.93 1xwn s VAL 24 N -1.14 2.06 0.26 8.37 1.01 0.20 -1.48 120.40 129.68 1xwn s VAL 24 Ca -0.10 -0.97 0.11 0.00 0.00 0.00 0.00 61.98 61.02 1xwn s VAL 24 Cb -0.08 -1.83 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 1xwn s VAL 24 CO -0.00 0.55 -0.10 -0.76 0.00 0.00 0.00 175.10 174.78 1xwn s LEU 25 N 0.95 2.90 -0.26 3.92 2.01 -1.03 -3.81 118.68 123.35 1xwn s LEU 25 Ca -0.04 -0.80 0.01 0.00 0.01 0.00 0.00 54.13 53.31 1xwn s LEU 25 Cb -0.15 -1.44 0.07 0.00 0.01 0.00 0.00 46.19 44.69 1xwn s LEU 25 CO -0.05 0.03 -0.01 -0.70 1.01 0.00 0.00 176.35 176.63 1xwn s GLU 26 N -3.47 1.45 0.46 1.70 -6.30 -1.09 0.18 118.70 111.62 1xwn s GLU 26 Ca 0.30 -1.15 -0.07 0.00 -2.50 0.00 0.00 54.97 51.55 1xwn s GLU 26 Cb -0.06 -2.60 -0.04 0.00 0.00 0.00 0.00 34.13 31.43 1xwn s GLU 26 CO 0.17 -0.72 0.78 -0.51 0.02 0.00 0.00 175.26 175.00 1xwn s LEU 27 N 1.35 3.68 -0.48 2.70 1.02 -1.07 -2.16 118.68 123.71 1xwn s LEU 27 Ca -0.01 0.98 -0.13 0.00 0.02 0.00 0.00 54.13 54.99 1xwn s LEU 27 Cb -0.19 -3.91 0.10 0.00 0.02 0.00 0.00 46.19 42.21 1xwn s LEU 27 CO -0.09 -0.53 0.39 -0.31 0.02 0.00 0.00 176.35 175.82 1xwn s TYR 28 N -2.64 3.30 -0.65 0.29 2.02 -1.19 -4.82 117.35 113.66 1xwn s TYR 28 Ca 0.48 -1.36 0.01 0.00 -0.37 0.00 0.00 57.07 55.83 1xwn s TYR 28 Cb -0.10 -3.38 0.05 0.00 -0.40 0.00 0.00 41.96 38.12 1xwn s TYR 28 CO 0.41 -0.92 0.73 0.91 -1.57 0.00 0.00 175.55 175.12 1xwn n TRP 29 N 5.09 0.15 -0.02 2.71 7.02 -1.26 -1.99 117.44 129.15 1xwn n TRP 29 Ca -0.11 -0.22 -0.02 0.00 -1.02 0.00 0.00 57.50 56.13 1xwn n TRP 29 Cb 0.42 -0.18 -0.01 0.00 -2.42 0.00 0.00 31.31 29.12 1xwn n TRP 29 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 1xwn n LYS 30 N 0.16 0.10 -0.00 -0.99 4.76 -1.26 -4.50 118.16 116.43 1xwn n LYS 30 Ca 0.02 0.04 0.10 0.00 -2.87 0.00 0.00 58.31 55.60 1xwn n LYS 30 Cb 0.40 -0.68 -0.14 0.00 -1.84 0.00 0.00 35.03 32.77 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 -2.88 0.00 0.97 2.13 8.25 -1.26 -4.39 115.22 118.05 1xwn n HIS 31 Ca -0.03 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.56 1xwn n HIS 31 Cb 0.10 -0.20 0.22 0.00 1.12 0.00 0.00 29.99 31.24 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 -1.79 2.48 -0.41 -1.41 0.00 -0.84 -4.58 120.51 113.95 1xwn n ALA 32 Ca 0.01 -0.69 0.36 0.00 0.00 0.00 0.00 53.44 53.12 1xwn n ALA 32 Cb 0.41 -0.91 0.64 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 4.03 0.04 0.29 0.00 0.11 -1.76 0.37 132.00 135.07 1xwn h PRO 33 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1xwn h PRO 33 Cb 0.86 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 1xwn h PRO 33 CO 0.00 0.02 -0.28 0.87 -0.21 0.00 0.00 178.00 178.40 1xwn h LYS 34 N 0.04 -0.58 -0.13 1.05 1.79 -1.93 0.50 116.57 117.32 1xwn h LYS 34 Ca 0.85 0.04 -0.16 0.00 -2.18 0.00 0.00 60.65 59.20 1xwn h LYS 34 Cb 2.55 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 33.33 1xwn h LYS 34 CO -0.56 -0.38 -0.61 0.00 -1.08 0.00 0.00 179.45 176.82 1xwn h THR 35 N -0.60 1.35 -0.07 -0.16 1.03 -0.93 -2.73 112.91 110.80 1xwn h THR 35 Ca -0.01 -1.92 0.02 0.00 -0.01 0.00 0.00 66.41 64.49 1xwn h THR 35 Cb 0.54 1.92 -0.03 0.00 -1.07 0.00 0.00 68.15 69.51 1xwn h THR 35 CO -0.05 0.58 -0.08 0.00 -0.01 0.00 0.00 175.52 175.96 1xwn h LYS 37 N -0.11 0.93 -0.12 0.00 6.56 -0.92 -1.38 116.57 121.52 1xwn h LYS 37 Ca 0.06 -0.17 -0.01 0.00 -1.06 0.00 0.00 60.65 59.47 1xwn h LYS 37 Cb 0.19 -0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 31.69 1xwn h LYS 37 CO -0.14 0.78 0.02 -0.97 -2.06 0.00 0.00 179.45 177.09 1xwn h ASN 38 N 0.87 0.19 -0.42 0.86 -0.73 -1.13 0.57 115.58 115.78 1xwn h ASN 38 Ca 0.21 -0.25 0.03 0.00 1.87 0.00 0.00 56.30 58.15 1xwn h ASN 38 Cb 0.20 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.70 1xwn h ASN 38 CO -0.02 0.40 0.23 0.15 -0.37 0.00 0.00 177.43 177.81 1xwn h PHE 39 N -0.02 0.42 -0.35 0.67 3.04 0.33 0.17 116.94 121.20 1xwn h PHE 39 Ca 0.04 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.94 1xwn h PHE 39 Cb 0.29 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 38.65 1xwn h PHE 39 CO 0.02 0.23 -0.02 0.00 -2.02 0.00 0.00 178.31 176.52 1xwn h ALA 40 N 1.20 0.47 -0.52 2.41 0.00 -1.21 -2.59 119.26 119.03 1xwn h ALA 40 Ca 0.17 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1xwn h ALA 40 Cb 0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 1xwn h ALA 40 CO -0.10 0.26 0.25 0.93 0.00 0.00 0.00 179.25 180.58 1xwn h GLU 41 N 0.43 0.74 -0.90 0.00 4.39 -0.59 -1.35 114.58 117.31 1xwn h GLU 41 Ca 0.10 -0.11 0.04 0.00 0.34 0.00 0.00 59.36 59.73 1xwn h GLU 41 Cb 0.49 -0.13 -0.06 0.00 -0.10 0.00 0.00 28.75 28.95 1xwn h GLU 41 CO 0.02 0.62 0.58 1.25 -1.16 0.00 0.00 179.01 180.32 1xwn h LEU 42 N 0.69 0.95 -0.70 1.33 5.85 -0.61 0.36 115.31 123.18 1xwn h LEU 42 Ca 0.18 -0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.77 1xwn h LEU 42 Cb 0.12 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1xwn h LEU 42 CO -0.02 0.64 -0.36 0.00 -0.34 0.00 0.00 178.44 178.36 1xwn h ALA 43 N 1.39 0.88 -0.41 1.25 0.00 -1.16 -0.22 119.26 120.99 1xwn h ALA 43 Ca 0.37 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1xwn h ALA 43 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1xwn h ALA 43 CO -0.13 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.53 1xwn h ARG 44 N 0.49 0.88 0.00 0.00 3.08 -0.42 -3.00 114.38 115.41 1xwn h ARG 44 Ca 0.05 -0.39 -0.06 0.00 0.07 0.00 0.00 59.98 59.65 1xwn h ARG 44 Cb 0.85 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1xwn h ARG 44 CO 0.07 1.04 -0.27 -0.09 -1.07 0.00 0.00 179.97 179.65 1xwn h ARG 45 N 0.70 0.00 0.00 0.04 9.65 -0.89 -3.46 114.38 120.41 1xwn h ARG 45 Ca 0.09 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.97 1xwn h ARG 45 Cb 0.78 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1xwn h ARG 45 CO 0.06 0.27 0.00 0.41 2.80 0.00 0.00 179.97 183.51 1xwn n GLY 46 N -0.61 1.93 0.11 2.80 0.00 -1.02 -5.05 105.19 103.36 1xwn n GLY 46 Ca -0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.79 1xwn n GLY 46 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1xwn n TYR 47 N -0.65 0.81 0.06 1.61 9.36 -0.12 -4.51 117.16 123.71 1xwn n TYR 47 Ca 0.00 0.35 -0.21 0.00 3.32 0.00 0.00 57.90 61.36 1xwn n TYR 47 Cb 0.00 -1.04 -0.12 0.00 -0.63 0.00 0.00 39.34 37.55 1xwn n TYR 47 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 1xwn h TYR 48 N -1.00 0.88 -1.16 2.98 0.05 -1.82 -3.39 116.97 113.50 1xwn h TYR 48 Ca -0.38 -0.53 -0.37 0.00 0.05 0.00 0.00 58.73 57.50 1xwn h TYR 48 Cb 1.28 -0.08 -0.05 0.00 1.01 0.00 0.00 36.73 38.90 1xwn h TYR 48 CO 0.02 1.37 0.96 -0.80 -1.05 0.00 0.00 178.16 178.67 1xwn s ASN 49 N -7.20 5.25 0.00 3.88 -0.87 -1.26 -2.05 114.94 112.68 1xwn s ASN 49 Ca -0.11 -0.37 0.00 0.00 -1.57 0.00 0.00 52.86 50.81 1xwn s ASN 49 Cb 0.05 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.73 1xwn s ASN 49 CO 0.89 -2.57 0.00 0.61 -2.57 0.00 0.00 177.10 173.47 1xwn n GLY 50 N 6.46 0.73 3.56 0.66 0.00 0.18 -4.84 105.19 111.94 1xwn n GLY 50 Ca 0.33 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.06 1xwn n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xwn s THR 51 N -0.16 2.08 -0.03 2.61 -4.23 -0.87 -4.71 115.64 110.34 1xwn s THR 51 Ca 0.00 0.03 0.15 0.00 -1.18 0.00 0.00 61.69 60.69 1xwn s THR 51 Cb 0.00 -2.12 0.27 0.00 1.34 0.00 0.00 72.50 71.99 1xwn s THR 51 CO 0.00 -0.04 1.11 2.29 -0.54 0.00 0.00 174.62 177.45 1xwn n LYS 52 N -4.66 0.22 -1.33 3.99 -0.00 -1.26 -0.63 118.16 114.49 1xwn n LYS 52 Ca 0.06 -1.79 0.16 0.00 -0.00 0.00 0.00 58.31 56.74 1xwn n LYS 52 Cb 0.54 -0.41 -0.06 0.00 -0.00 0.00 0.00 35.03 35.10 1xwn n LYS 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1xwn n PHE 53 N 0.06 -3.30 0.08 5.58 3.01 -1.10 -4.15 117.46 117.65 1xwn n PHE 53 Ca 0.06 1.72 0.00 0.00 1.01 0.00 0.00 57.45 60.24 1xwn n PHE 53 Cb 0.92 -3.00 0.00 0.00 -0.01 0.00 0.00 39.48 37.39 1xwn n PHE 53 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1xwn n HIS 54 N -4.00 -2.22 -3.21 1.38 8.25 -1.26 -4.98 115.22 109.18 1xwn n HIS 54 Ca -0.03 0.44 -0.40 0.00 -0.26 0.00 0.00 57.72 57.47 1xwn n HIS 54 Cb 0.66 1.25 -0.07 0.00 1.12 0.00 0.00 29.99 32.96 1xwn n HIS 54 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1xwn s ARG 55 N -1.42 4.14 -0.49 -0.41 0.52 -1.25 -4.44 118.95 115.61 1xwn s ARG 55 Ca 0.00 0.43 0.03 0.00 -0.52 0.00 0.00 55.73 55.67 1xwn s ARG 55 Cb 0.00 -3.60 0.16 0.00 0.52 0.00 0.00 34.95 32.02 1xwn s ARG 55 CO 0.00 -0.26 0.33 0.42 0.02 0.00 0.00 175.30 175.82 1xwn s ILE 56 N 1.99 1.36 -0.96 1.52 -1.09 -1.20 -2.10 121.20 120.72 1xwn s ILE 56 Ca 0.24 -2.97 -0.18 0.00 -2.23 0.00 0.00 60.65 55.51 1xwn s ILE 56 Cb -0.16 -1.93 0.14 0.00 -1.58 0.00 0.00 42.46 38.94 1xwn s ILE 56 CO 0.09 -1.04 1.15 -0.63 -1.23 0.00 0.00 174.94 173.28 1xwn s ILE 57 N -0.15 4.79 0.61 2.92 1.01 -0.35 -4.81 121.20 125.22 1xwn s ILE 57 Ca 0.24 -1.72 0.32 0.00 0.00 0.00 0.00 60.65 59.49 1xwn s ILE 57 Cb -0.10 -4.78 0.37 0.00 0.01 0.00 0.00 42.46 37.95 1xwn s ILE 57 CO -0.10 -1.50 2.21 0.07 0.00 0.00 0.00 174.94 175.61 1xwn h LYS 58 N 8.62 0.00 -0.89 2.79 2.10 -1.85 0.34 116.57 127.68 1xwn h LYS 58 Ca 0.17 0.00 -0.17 0.00 -2.00 0.00 0.00 60.65 58.66 1xwn h LYS 58 Cb 1.01 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 32.24 1xwn h LYS 58 CO 1.11 0.00 0.21 -3.47 -2.00 0.00 0.00 179.45 175.30 1xwn n ASP 59 N -3.65 3.56 0.00 7.07 2.03 -1.26 -4.74 116.55 119.56 1xwn n ASP 59 Ca -0.01 -2.75 0.00 0.00 0.52 0.00 0.00 54.79 52.54 1xwn n ASP 59 Cb 0.18 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 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 -0.09 -0.21 -3.81 -0.67 7.35 -0.46 -5.06 117.46 114.51 1xwn n PHE 60 Ca 0.26 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.87 1xwn n PHE 60 Cb 1.01 0.04 0.02 0.00 0.35 0.00 0.00 39.48 40.90 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 -0.23 2.20 0.04 -4.13 0.23 -0.02 -3.35 119.30 114.05 1xwn s MET 61 Ca 0.00 -1.41 0.02 0.00 -1.03 0.00 0.00 55.69 53.27 1xwn s MET 61 Cb 0.00 0.62 -0.02 0.00 -1.53 0.00 0.00 34.83 33.89 1xwn s MET 61 CO 0.00 -1.03 -0.08 0.96 -2.03 0.00 0.00 175.02 172.84 1xwn s ILE 62 N -2.31 0.59 0.09 3.16 -4.36 -0.84 -1.21 121.20 116.31 1xwn s ILE 62 Ca 0.16 -1.03 0.04 0.00 -0.26 0.00 0.00 60.65 59.55 1xwn s ILE 62 Cb -0.05 -0.63 -0.03 0.00 1.25 0.00 0.00 42.46 42.99 1xwn s ILE 62 CO 0.11 -0.33 -0.10 0.00 0.24 0.00 0.00 174.94 174.86 1xwn s GLN 63 N -1.48 0.81 -0.27 0.37 -2.07 -0.89 0.30 119.66 116.43 1xwn s GLN 63 Ca -0.08 -1.09 -0.02 0.00 -1.82 0.00 0.00 55.36 52.34 1xwn s GLN 63 Cb -0.09 -0.54 0.09 0.00 -1.09 0.00 0.00 33.01 31.37 1xwn s GLN 63 CO 0.01 0.09 0.08 0.20 -1.32 0.00 0.00 175.29 174.35 1xwn s GLY 64 N -2.28 0.81 0.25 2.60 0.00 0.48 -3.74 107.32 105.44 1xwn s GLY 64 Ca 0.03 -1.20 -0.21 0.00 0.00 0.00 0.00 44.72 43.34 1xwn s GLY 64 CO 0.00 1.66 0.70 -0.32 0.00 0.00 0.00 173.10 175.14 1xwn s GLY 65 N 1.82 -0.21 -0.61 0.20 0.00 -1.26 -3.34 107.32 103.92 1xwn s GLY 65 Ca 0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 44.72 44.65 1xwn s GLY 65 CO -0.22 -0.03 0.59 1.34 0.00 0.00 0.00 173.10 174.77 1xwn n ASP 66 N -0.44 -6.94 -0.06 1.64 2.03 -1.26 -4.88 116.55 106.65 1xwn n ASP 66 Ca -0.07 -0.02 -0.16 0.00 0.52 0.00 0.00 54.79 55.06 1xwn n ASP 66 Cb 0.60 -4.67 -0.06 0.00 -0.72 0.00 0.00 41.12 36.28 1xwn n ASP 66 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1xwn h PRO 67 N 0.48 0.80 -5.78 -0.67 0.13 -1.91 -3.49 132.00 121.56 1xwn h PRO 67 Ca 0.00 -0.56 -0.33 0.00 -0.87 0.00 0.00 66.00 64.24 1xwn h PRO 67 Cb 0.99 0.09 0.15 0.00 0.13 0.00 0.00 31.00 32.35 1xwn h PRO 67 CO 0.25 1.18 -0.89 2.41 -0.23 0.00 0.00 178.00 180.72 1xwn n THR 68 N -4.04 -7.63 0.24 1.56 -1.04 -1.26 -4.89 114.28 97.22 1xwn n THR 68 Ca -0.06 -1.15 0.07 0.00 -2.04 0.00 0.00 64.05 60.87 1xwn n THR 68 Cb 0.65 -5.53 0.57 0.00 -1.82 0.00 0.00 70.33 64.20 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 -1.45 0.00 1.17 3.41 0.00 -1.94 -2.64 103.07 101.62 1xwn h GLY 69 Ca -0.63 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.42 1xwn h GLY 69 CO 0.46 0.00 -1.58 -0.91 0.00 0.00 0.00 176.54 174.52 1xwn h THR 70 N 0.00 1.01 0.00 4.70 1.35 -1.90 -3.48 112.91 114.58 1xwn h THR 70 Ca -0.00 -2.84 0.00 0.00 -0.55 0.00 0.00 66.41 63.02 1xwn h THR 70 Cb 0.20 2.50 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 1xwn h THR 70 CO 0.01 0.57 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 1xwn n GLY 71 N 1.52 0.65 2.34 5.82 0.00 -1.00 -4.91 105.19 109.61 1xwn n GLY 71 Ca -0.14 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.86 1xwn n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xwn n ARG 72 N -1.46 0.88 -3.68 1.61 0.63 -1.26 -5.10 116.66 108.27 1xwn n ARG 72 Ca 0.00 -0.89 -0.12 0.00 -0.92 0.00 0.00 57.85 55.91 1xwn n ARG 72 Cb 0.00 0.23 -0.13 0.00 0.45 0.00 0.00 32.46 33.01 1xwn n ARG 72 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1xwn s GLY 73 N -0.75 -0.17 -0.38 5.14 0.00 -1.26 -5.10 107.32 104.80 1xwn s GLY 73 Ca 0.07 1.07 0.02 0.00 0.00 0.00 0.00 44.72 45.89 1xwn s GLY 73 CO -0.08 1.79 0.33 -0.32 0.00 0.00 0.00 173.10 174.82 1xwn s GLY 74 N 2.02 0.45 0.01 0.20 0.00 -1.26 -4.31 107.32 104.44 1xwn s GLY 74 Ca -0.03 -1.56 -0.20 0.00 0.00 0.00 0.00 44.72 42.93 1xwn s GLY 74 CO -0.09 2.45 0.44 0.00 0.00 0.00 0.00 173.10 175.89 1xwn s ALA 75 N 0.99 -1.11 0.47 3.20 0.00 -1.26 -4.92 121.76 119.13 1xwn s ALA 75 Ca 0.21 0.51 0.08 0.00 0.00 0.00 0.00 51.96 52.77 1xwn s ALA 75 Cb -0.13 0.22 0.04 0.00 0.00 0.00 0.00 23.12 23.24 1xwn s ALA 75 CO -0.05 -0.40 0.65 -1.54 0.00 0.00 0.00 175.76 174.42 1xwn s SER 76 N -1.69 5.47 0.31 0.00 1.04 0.18 -4.99 113.70 114.02 1xwn s SER 76 Ca -0.08 -0.54 0.02 0.00 0.48 0.00 0.00 55.95 55.82 1xwn s SER 76 Cb -0.02 -0.36 0.57 0.00 0.10 0.00 0.00 66.02 66.31 1xwn s SER 76 CO 0.02 -0.96 1.92 0.16 0.98 0.00 0.00 173.24 175.36 1xwn h ILE 77 N 0.48 1.06 -0.03 -1.02 3.07 -1.98 -2.68 117.51 116.40 1xwn h ILE 77 Ca -0.37 -0.34 -0.09 0.00 1.55 0.00 0.00 64.86 65.61 1xwn h ILE 77 Cb 1.28 -0.01 0.01 0.00 -0.27 0.00 0.00 36.82 37.83 1xwn h ILE 77 CO 0.44 0.18 -0.34 1.88 -1.05 0.00 0.00 178.15 179.25 1xwn h TYR 78 N 0.98 0.41 0.00 0.16 0.05 -1.98 -3.50 116.97 113.09 1xwn h TYR 78 Ca 0.38 -0.20 0.00 0.00 0.05 0.00 0.00 58.73 58.96 1xwn h TYR 78 Cb 0.21 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.90 1xwn h TYR 78 CO -0.00 0.97 0.00 0.41 -1.05 0.00 0.00 178.16 178.49 1xwn n GLY 79 N 0.87 -0.61 0.07 3.88 0.00 -1.01 -5.02 105.19 103.37 1xwn n GLY 79 Ca -0.09 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.21 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 1.22 -3.57 1.61 2.85 -1.26 -0.65 118.16 118.35 1xwn n LYS 80 Ca 0.00 0.04 -0.24 0.00 -1.05 0.00 0.00 58.31 57.06 1xwn n LYS 80 Cb 0.00 -1.33 -0.16 0.00 -0.65 0.00 0.00 35.03 32.89 1xwn n LYS 80 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 1xwn s GLN 81 N -2.32 0.10 0.49 -1.58 -2.07 -1.26 -4.43 119.66 108.59 1xwn s GLN 81 Ca -0.14 0.00 0.03 0.00 -1.82 0.00 0.00 55.36 53.44 1xwn s GLN 81 Cb 0.05 -1.63 -0.02 0.00 -1.09 0.00 0.00 33.01 30.31 1xwn s GLN 81 CO 0.46 -0.67 0.06 -0.59 -1.32 0.00 0.00 175.29 173.24 1xwn s PHE 82 N 2.20 2.02 1.09 9.60 -0.71 -1.24 -4.77 117.98 126.17 1xwn s PHE 82 Ca 0.04 -0.86 -0.18 0.00 -1.04 0.00 0.00 56.93 54.88 1xwn s PHE 82 Cb -0.16 -1.71 0.28 0.00 -1.21 0.00 0.00 43.02 40.22 1xwn s PHE 82 CO -0.10 0.19 0.79 0.39 -1.34 0.00 0.00 175.22 175.15 1xwn n GLU 83 N -1.27 -3.52 -4.21 1.99 1.02 -1.26 -2.47 120.64 110.92 1xwn n GLU 83 Ca -0.13 -1.30 -0.28 0.00 -0.02 0.00 0.00 57.16 55.43 1xwn n GLU 83 Cb 0.66 -1.42 -0.04 0.00 -0.02 0.00 0.00 31.44 30.62 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 -3.40 4.43 -0.21 1.62 -1.08 -1.26 -4.62 116.67 112.15 1xwn s ASP 84 Ca 0.56 -1.35 -0.01 0.00 -0.52 0.00 0.00 52.55 51.22 1xwn s ASP 84 Cb -0.07 0.29 0.06 0.00 -1.46 0.00 0.00 42.92 41.73 1xwn s ASP 84 CO 0.44 -0.92 -0.00 -0.70 0.52 0.00 0.00 175.17 174.51 1xwn s GLU 85 N -4.08 1.08 -0.20 4.34 2.56 -1.26 -5.11 118.70 116.02 1xwn s GLU 85 Ca 0.26 -0.65 -0.11 0.00 0.00 0.00 0.00 54.97 54.47 1xwn s GLU 85 Cb 0.00 -2.29 0.07 0.00 2.00 0.00 0.00 34.13 33.91 1xwn s GLU 85 CO 0.15 -0.61 0.49 -1.17 -0.56 0.00 0.00 175.26 173.56 1xwn s LEU 86 N 1.66 -0.38 0.01 2.70 2.96 -1.26 -4.79 118.68 119.58 1xwn s LEU 86 Ca -0.03 1.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.96 1xwn s LEU 86 Cb -0.18 1.65 0.00 0.00 0.50 0.00 0.00 46.19 48.16 1xwn s LEU 86 CO -0.07 -0.21 0.00 1.57 -1.32 0.00 0.00 176.35 176.32 1xwn n HIS 87 N 4.38 -1.03 -0.55 5.38 -0.00 -1.26 -5.16 115.22 116.98 1xwn n HIS 87 Ca -0.21 0.04 -0.29 0.00 0.46 0.00 0.00 57.72 57.72 1xwn n HIS 87 Cb 0.56 0.28 0.26 0.00 -0.12 0.00 0.00 29.99 30.96 1xwn n HIS 87 CO 0.00 0.00 0.00 -2.14 0.46 0.00 0.00 176.34 174.66 1xwn s PRO 88 N -2.00 -1.37 0.00 1.57 0.02 -1.26 -5.00 135.00 126.96 1xwn s PRO 88 Ca 0.00 0.63 0.00 0.00 0.02 0.00 0.00 61.00 61.65 1xwn s PRO 88 Cb 0.00 -1.52 0.00 0.00 0.02 0.00 0.00 34.50 33.00 1xwn s PRO 88 CO 0.00 -3.97 0.63 -0.25 -0.33 0.00 0.00 177.00 173.08 1xwn n ASP 89 N -5.06 0.00 -1.17 2.53 8.00 -1.26 -5.04 116.55 114.55 1xwn n ASP 89 Ca 0.05 0.65 0.02 0.00 0.71 0.00 0.00 54.79 56.22 1xwn n ASP 89 Cb 0.56 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 1xwn n ASP 89 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1xwn n LEU 90 N -1.13 -1.20 -4.22 0.64 4.77 -1.26 -5.06 117.00 109.54 1xwn n LEU 90 Ca 0.00 2.11 -0.13 0.00 -0.03 0.00 0.00 56.01 57.96 1xwn n LEU 90 Cb 0.00 -2.15 -0.10 0.00 -2.33 0.00 0.00 43.42 38.84 1xwn n LEU 90 CO 0.00 -0.76 -0.28 -1.59 -1.33 0.00 0.00 177.39 173.42 1xwn s LYS 91 N -4.92 1.14 -0.43 3.23 -2.85 -1.26 -5.10 119.74 109.54 1xwn s LYS 91 Ca 0.00 -1.58 0.02 0.00 -1.00 0.00 0.00 55.97 53.41 1xwn s LYS 91 Cb 0.00 0.00 0.14 0.00 -2.06 0.00 0.00 37.83 35.91 1xwn s LYS 91 CO 0.00 -0.26 0.26 -0.06 0.10 0.00 0.00 175.35 175.39 1xwn s PHE 92 N -3.90 1.62 0.24 1.78 0.40 -1.26 -4.96 117.98 111.90 1xwn s PHE 92 Ca 0.30 -2.26 0.16 0.00 -0.60 0.00 0.00 56.93 54.53 1xwn s PHE 92 Cb 0.07 -1.54 0.61 0.00 0.51 0.00 0.00 43.02 42.67 1xwn s PHE 92 CO 0.07 -0.78 1.72 1.79 0.70 0.00 0.00 175.22 178.72 1xwn h THR 93 N 5.04 1.10 0.00 0.64 1.35 -1.96 -3.34 112.91 115.74 1xwn h THR 93 Ca 0.06 -1.64 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 1xwn h THR 93 Cb 0.92 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.29 1xwn h THR 93 CO 0.42 0.43 0.00 0.61 -0.25 0.00 0.00 175.52 176.74 1xwn n GLY 94 N 0.11 2.01 3.57 5.82 0.00 -1.26 -3.06 105.19 112.39 1xwn n GLY 94 Ca -0.01 -0.52 -0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 2.46 -0.15 4.61 0.00 -1.16 -3.20 121.76 124.32 1xwn s ALA 95 Ca 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.83 1xwn s ALA 95 Cb 0.00 -4.16 -0.01 0.00 0.00 0.00 0.00 23.12 18.95 1xwn s ALA 95 CO 0.00 -3.32 0.14 0.41 0.00 0.00 0.00 175.76 172.99 1xwn n GLY 96 N 5.59 0.27 2.82 0.00 0.00 0.37 -4.96 105.19 109.27 1xwn n GLY 96 Ca 0.23 -0.12 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.04 -0.16 -0.31 -0.61 -1.09 -1.10 -2.30 121.20 112.58 1xwn s ILE 97 Ca 0.05 0.32 -0.13 0.00 -2.23 0.00 0.00 60.65 58.66 1xwn s ILE 97 Cb -0.01 -0.23 -0.03 0.00 -1.58 0.00 0.00 42.46 40.61 1xwn s ILE 97 CO 0.12 0.13 0.26 -0.76 -1.23 0.00 0.00 174.94 173.47 1xwn s LEU 98 N 1.89 4.28 0.03 2.97 1.43 -0.98 -0.47 118.68 127.82 1xwn s LEU 98 Ca -0.01 -0.16 0.09 0.00 -1.03 0.00 0.00 54.13 53.02 1xwn s LEU 98 Cb -0.12 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.87 1xwn s LEU 98 CO -0.05 -0.19 -0.26 0.00 0.23 0.00 0.00 176.35 176.09 1xwn s ALA 99 N 1.84 2.27 -0.31 4.21 0.00 -0.04 -0.94 121.76 128.79 1xwn s ALA 99 Ca 0.09 -1.24 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 1xwn s ALA 99 Cb -0.17 -0.51 0.02 0.00 0.00 0.00 0.00 23.12 22.46 1xwn s ALA 99 CO 0.11 0.54 1.09 -1.64 0.00 0.00 0.00 175.76 175.86 1xwn s MET 100 N -1.15 4.06 0.77 0.00 -1.94 0.24 -1.75 119.30 119.53 1xwn s MET 100 Ca 0.12 1.10 -0.12 0.00 -1.71 0.00 0.00 55.69 55.08 1xwn s MET 100 Cb -0.10 -3.74 0.06 0.00 2.01 0.00 0.00 34.83 33.05 1xwn s MET 100 CO 0.02 -0.91 1.15 0.00 -0.01 0.00 0.00 175.02 175.27 1xwn s ALA 101 N 3.69 2.74 0.26 3.03 0.00 -1.19 -2.62 121.76 127.67 1xwn s ALA 101 Ca 0.46 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.74 1xwn s ALA 101 Cb -0.13 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 1xwn s ALA 101 CO 0.16 -1.50 0.49 0.54 0.00 0.00 0.00 175.76 175.45 1xwn s ASN 102 N -4.51 -0.02 -0.25 0.00 4.22 -1.26 -4.36 114.94 108.76 1xwn s ASN 102 Ca 0.61 -0.97 -0.11 0.00 -2.14 0.00 0.00 52.86 50.24 1xwn s ASN 102 Cb -0.11 0.60 -0.11 0.00 1.28 0.00 0.00 41.25 42.91 1xwn s ASN 102 CO 0.50 -1.18 -0.32 0.00 -2.04 0.00 0.00 177.10 174.06 1xwn n ALA 103 N -0.40 1.37 -3.77 3.54 0.00 -0.75 -4.98 120.51 115.51 1xwn n ALA 103 Ca -0.02 -1.01 -0.01 0.00 0.00 0.00 0.00 53.44 52.40 1xwn n ALA 103 Cb 0.62 0.15 0.03 0.00 0.00 0.00 0.00 19.45 20.25 1xwn n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwn n GLY 104 N 1.49 1.00 3.68 0.00 0.00 -1.15 -5.05 105.19 105.17 1xwn n GLY 104 Ca -0.50 -1.25 -0.50 0.00 0.00 0.00 0.00 46.02 43.77 1xwn n GLY 104 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1xwn n PRO 105 N -0.52 1.91 -2.50 1.61 -0.02 -1.26 -0.64 135.00 133.58 1xwn n PRO 105 Ca -0.09 0.70 -0.19 0.00 -2.02 0.00 0.00 63.50 61.90 1xwn n PRO 105 Cb 0.58 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1xwn n PRO 105 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1xwn n ASP 106 N 5.70 -5.45 -3.45 2.55 -0.08 -1.26 -4.96 116.55 109.60 1xwn n ASP 106 Ca 0.22 -0.08 -0.28 0.00 -1.51 0.00 0.00 54.79 53.14 1xwn n ASP 106 Cb 0.25 -4.45 -0.11 0.00 2.34 0.00 0.00 41.12 39.15 1xwn n ASP 106 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1xwn s THR 107 N -2.98 0.33 -0.07 5.18 2.01 0.19 -3.96 115.64 116.34 1xwn s THR 107 Ca 0.07 -2.21 -0.01 0.00 0.31 0.00 0.00 61.69 59.85 1xwn s THR 107 Cb -0.03 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 1xwn s THR 107 CO 0.09 -1.09 -0.01 0.20 -0.69 0.00 0.00 174.62 173.11 1xwn s ASN 108 N 0.55 5.15 0.00 3.53 0.01 -1.03 -1.81 114.94 121.34 1xwn s ASN 108 Ca 0.25 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.50 1xwn s ASN 108 Cb -0.11 -1.41 0.00 0.00 0.41 0.00 0.00 41.25 40.14 1xwn s ASN 108 CO -0.09 0.36 0.00 0.61 -1.51 0.00 0.00 177.10 176.47 1xwn n GLY 109 N 2.02 3.47 1.90 0.66 0.00 -1.26 -3.62 105.19 108.36 1xwn n GLY 109 Ca -0.18 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.72 1xwn n GLY 109 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xwn n SER 110 N 0.00 4.84 -4.63 1.61 3.41 -1.26 -5.01 113.62 112.58 1xwn n SER 110 Ca 0.00 -3.77 -0.29 0.00 -0.26 0.00 0.00 58.87 54.55 1xwn n SER 110 Cb 0.00 -0.43 -0.09 0.00 -0.26 0.00 0.00 64.21 63.43 1xwn n SER 110 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1xwn s GLN 111 N -3.58 2.30 0.02 4.33 -0.21 -1.26 -4.49 119.66 116.77 1xwn s GLN 111 Ca 0.51 -0.98 0.01 0.00 0.02 0.00 0.00 55.36 54.92 1xwn s GLN 111 Cb 0.42 -2.39 -0.01 0.00 1.00 0.00 0.00 33.01 32.02 1xwn s GLN 111 CO 0.02 0.51 -0.04 -0.59 -2.12 0.00 0.00 175.29 173.07 1xwn s PHE 112 N -1.33 0.36 -0.06 0.91 -0.12 -1.21 -3.14 117.98 113.39 1xwn s PHE 112 Ca 0.24 -0.33 0.02 0.00 -0.05 0.00 0.00 56.93 56.81 1xwn s PHE 112 Cb -0.11 -0.23 0.01 0.00 -0.63 0.00 0.00 43.02 42.06 1xwn s PHE 112 CO 0.16 -0.09 -0.12 -0.59 -0.05 0.00 0.00 175.22 174.54 1xwn s PHE 113 N -0.90 1.38 -0.22 3.49 -0.71 -0.72 -0.39 117.98 119.92 1xwn s PHE 113 Ca -0.08 -0.49 -0.05 0.00 -1.04 0.00 0.00 56.93 55.27 1xwn s PHE 113 Cb -0.07 -1.02 -0.02 0.00 -1.21 0.00 0.00 43.02 40.71 1xwn s PHE 113 CO -0.00 -0.26 -0.01 0.54 -1.34 0.00 0.00 175.22 174.15 1xwn s VAL 114 N 0.65 3.73 0.23 -2.49 0.11 0.15 -0.86 120.40 121.91 1xwn s VAL 114 Ca -0.14 -0.38 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 1xwn s VAL 114 Cb -0.15 -2.71 -0.09 0.00 -1.53 0.00 0.00 36.38 31.90 1xwn s VAL 114 CO 0.03 0.40 0.95 0.42 -3.33 0.00 0.00 175.10 173.58 1xwn s THR 115 N 1.39 4.08 -0.12 5.04 -4.23 0.38 -1.99 115.64 120.19 1xwn s THR 115 Ca 0.05 2.05 0.09 0.00 -1.18 0.00 0.00 61.69 62.69 1xwn s THR 115 Cb -0.15 -4.30 -0.13 0.00 1.34 0.00 0.00 72.50 69.26 1xwn s THR 115 CO -0.00 0.47 0.02 0.00 -0.54 0.00 0.00 174.62 174.57 1xwn n LEU 116 N 1.62 0.35 -4.88 4.79 -0.00 -1.19 -0.48 117.00 117.20 1xwn n LEU 116 Ca -0.01 -0.01 -0.27 0.00 -0.00 0.00 0.00 56.01 55.72 1xwn n LEU 116 Cb 0.47 0.19 -0.04 0.00 -0.00 0.00 0.00 43.42 44.04 1xwn n LEU 116 CO 0.50 0.33 -0.15 0.00 -0.00 0.00 0.00 177.39 178.08 1xwn s ALA 117 N -2.28 3.83 0.03 1.47 0.00 -1.21 -3.95 121.76 119.65 1xwn s ALA 117 Ca -0.07 -1.06 -0.30 0.00 0.00 0.00 0.00 51.96 50.53 1xwn s ALA 117 Cb 0.04 -1.64 -0.08 0.00 0.00 0.00 0.00 23.12 21.44 1xwn s ALA 117 CO 0.45 0.58 1.71 -1.25 0.00 0.00 0.00 175.76 177.26 1xwn s PRO 118 N -3.03 4.18 -0.35 0.00 0.04 -1.26 -2.98 135.00 131.60 1xwn s PRO 118 Ca 0.33 2.35 0.02 0.00 0.04 0.00 0.00 61.00 63.73 1xwn s PRO 118 Cb -0.11 -3.81 0.15 0.00 0.04 0.00 0.00 34.50 30.77 1xwn s PRO 118 CO 0.26 -0.81 0.32 0.95 0.04 0.00 0.00 177.00 177.76 1xwn s THR 119 N 3.37 -0.24 -1.90 1.26 -4.23 -1.17 -4.91 115.64 107.80 1xwn s THR 119 Ca 0.76 -1.02 0.26 0.00 -1.18 0.00 0.00 61.69 60.51 1xwn s THR 119 Cb -0.39 -0.83 0.22 0.00 1.34 0.00 0.00 72.50 72.84 1xwn s THR 119 CO 0.33 -0.65 1.45 0.00 -0.54 0.00 0.00 174.62 175.22 1xwn n GLN 120 N 4.46 1.02 0.06 3.99 3.00 -1.25 -4.06 117.38 124.59 1xwn n GLN 120 Ca 0.08 -0.68 -0.12 0.00 -0.01 0.00 0.00 57.00 56.27 1xwn n GLN 120 Cb 0.44 -1.49 -0.13 0.00 0.00 0.00 0.00 30.24 29.06 1xwn n GLN 120 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 1xwn h TRP 121 N 1.66 0.23 -0.01 1.08 0.09 -1.93 -3.26 115.95 113.81 1xwn h TRP 121 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 58.89 58.81 1xwn h TRP 121 Cb 0.58 -0.01 0.00 0.00 0.08 0.00 0.00 29.16 29.81 1xwn h TRP 121 CO 0.00 1.16 0.00 1.47 0.09 0.00 0.00 178.44 181.16 1xwn n LEU 122 N -3.39 0.53 -4.57 0.11 -0.00 -1.26 -4.77 117.00 103.67 1xwn n LEU 122 Ca -0.08 -0.18 -0.14 0.00 -0.00 0.00 0.00 56.01 55.61 1xwn n LEU 122 Cb 1.00 -0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 44.33 1xwn n LEU 122 CO 0.49 0.09 1.17 -0.62 -0.00 0.00 0.00 177.39 178.53 1xwn s ASP 123 N -1.95 3.73 0.00 1.45 -1.08 -1.23 -0.75 116.67 116.85 1xwn s ASP 123 Ca 0.43 -0.26 0.00 0.00 -0.52 0.00 0.00 52.55 52.19 1xwn s ASP 123 Cb 0.21 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 1xwn s ASP 123 CO 0.34 -4.17 0.00 0.61 0.52 0.00 0.00 175.17 172.47 1xwn n GLY 124 N 6.62 1.16 0.21 2.66 0.00 -1.26 -5.02 105.19 109.56 1xwn n GLY 124 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.39 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 -0.51 -6.65 1.61 1.57 -1.27 -3.45 116.57 107.86 1xwn h LYS 125 Ca 0.00 0.03 -0.44 0.00 -1.87 0.00 0.00 60.65 58.37 1xwn h LYS 125 Cb 0.00 0.12 0.03 0.00 0.08 0.00 0.00 32.23 32.46 1xwn h LYS 125 CO 0.00 -0.34 -0.13 -1.01 -0.57 0.00 0.00 179.45 177.40 1xwn s HIS 126 N -4.01 2.40 0.30 -1.35 3.76 -1.26 -5.10 115.29 110.03 1xwn s HIS 126 Ca -0.08 -0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 54.43 1xwn s HIS 126 Cb 0.01 -2.50 -0.05 0.00 1.11 0.00 0.00 32.58 31.15 1xwn s HIS 126 CO 0.23 -0.82 0.56 0.99 -0.85 0.00 0.00 174.74 174.85 1xwn s THR 127 N -2.60 5.02 0.59 1.30 2.01 -1.08 -4.98 115.64 115.91 1xwn s THR 127 Ca 0.58 0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.70 1xwn s THR 127 Cb -0.09 -3.74 0.10 0.00 0.01 0.00 0.00 72.50 68.78 1xwn s THR 127 CO 0.37 -0.36 0.82 0.00 -0.69 0.00 0.00 174.62 174.76 1xwn n ILE 128 N -1.03 0.00 0.00 1.82 3.06 -1.26 0.79 119.36 122.74 1xwn n ILE 128 Ca -0.02 -1.86 0.00 0.00 -2.50 0.00 0.00 62.75 58.37 1xwn n ILE 128 Cb 0.54 -0.57 0.00 0.00 0.54 0.00 0.00 39.64 40.15 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 -2.33 -0.10 -4.21 9.51 1.16 -1.14 -3.48 117.46 116.86 1xwn n PHE 129 Ca 0.16 0.00 -0.18 0.00 -1.87 0.00 0.00 57.45 55.56 1xwn n PHE 129 Cb 0.59 0.02 -0.06 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 -0.90 2.64 3.31 4.97 0.00 -0.11 -3.17 105.19 111.92 1xwn n GLY 130 Ca 0.00 -1.81 -0.17 0.00 0.00 0.00 0.00 46.02 44.04 1xwn n GLY 130 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xwn s ARG 131 N -3.18 1.49 -0.13 1.61 0.52 -0.92 -2.32 118.95 116.01 1xwn s ARG 131 Ca 0.37 -1.83 0.00 0.00 -0.52 0.00 0.00 55.73 53.75 1xwn s ARG 131 Cb 0.01 -0.08 0.02 0.00 0.52 0.00 0.00 34.95 35.42 1xwn s ARG 131 CO 0.26 -0.40 -0.13 0.08 0.02 0.00 0.00 175.30 175.13 1xwn s VAL 132 N -3.73 1.45 0.12 3.52 1.01 -0.97 -2.68 120.40 119.11 1xwn s VAL 132 Ca 0.37 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.78 1xwn s VAL 132 Cb 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1xwn s VAL 132 CO 0.16 0.44 0.00 0.00 0.00 0.00 0.00 175.10 175.70 1xwn s GLN 134 N -2.00 2.28 0.00 0.00 0.74 -1.25 -4.54 119.66 114.89 1xwn s GLN 134 Ca 0.00 -2.30 0.00 0.00 0.05 0.00 0.00 55.36 53.11 1xwn s GLN 134 Cb 0.00 -3.61 0.00 0.00 1.10 0.00 0.00 33.01 30.50 1xwn s GLN 134 CO 0.00 -1.13 0.00 0.41 -0.55 0.00 0.00 175.29 174.02 1xwn n GLY 135 N 3.80 0.50 0.48 2.59 0.00 -1.26 0.63 105.19 111.93 1xwn n GLY 135 Ca 0.04 0.00 0.34 0.00 0.00 0.00 0.00 46.02 46.40 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 0.26 -0.84 -0.61 2.10 -1.89 0.20 117.51 116.74 1xwn h ILE 136 Ca 0.00 -0.05 0.09 0.00 1.08 0.00 0.00 64.86 65.98 1xwn h ILE 136 Cb 0.00 0.10 -0.07 0.00 -1.09 0.00 0.00 36.82 35.76 1xwn h ILE 136 CO 0.00 0.03 0.48 1.23 -1.08 0.00 0.00 178.15 178.81 1xwn h GLY 137 N 0.15 1.30 1.02 8.18 0.00 -1.94 0.67 103.07 112.45 1xwn h GLY 137 Ca 0.73 -0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 1xwn h GLY 137 CO -0.29 0.14 0.57 1.98 0.00 0.00 0.00 176.54 178.94 1xwn h MET 138 N 0.82 1.27 -0.18 4.80 1.85 -0.89 0.04 114.93 122.64 1xwn h MET 138 Ca 0.40 -0.11 -0.14 0.00 -0.61 0.00 0.00 59.70 59.23 1xwn h MET 138 Cb 0.35 -0.27 -0.01 0.00 0.43 0.00 0.00 31.60 32.10 1xwn h MET 138 CO -0.24 0.88 -0.49 0.28 -0.40 0.00 0.00 176.91 176.94 1xwn h VAL 139 N 1.29 1.32 -0.20 -5.77 2.07 -1.29 -2.99 116.25 110.68 1xwn h VAL 139 Ca 0.34 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 1xwn h VAL 139 Cb -0.07 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 1xwn h VAL 139 CO -0.06 0.53 -0.03 0.78 0.02 0.00 0.00 177.57 178.81 1xwn h ASN 140 N 0.39 0.38 -0.61 0.57 -0.26 -0.22 -3.03 115.58 112.79 1xwn h ASN 140 Ca 0.02 -0.35 0.04 0.00 -0.56 0.00 0.00 56.30 55.46 1xwn h ASN 140 Cb 1.01 -0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 38.13 1xwn h ASN 140 CO 0.09 0.63 0.40 0.08 -1.06 0.00 0.00 177.43 177.58 1xwn h ARG 141 N 0.11 0.65 -1.01 0.81 0.11 -1.01 -1.43 114.38 112.62 1xwn h ARG 141 Ca 0.05 -0.04 0.04 0.00 0.10 0.00 0.00 59.98 60.14 1xwn h ARG 141 Cb 0.46 -0.15 -0.06 0.00 1.11 0.00 0.00 29.97 31.33 1xwn h ARG 141 CO 0.02 0.43 0.66 0.28 0.10 0.00 0.00 179.97 181.45 1xwn h VAL 142 N 0.67 1.16 -0.01 0.08 2.07 -1.40 -1.54 116.25 117.28 1xwn h VAL 142 Ca 0.25 -0.43 -0.24 0.00 0.82 0.00 0.00 66.70 67.10 1xwn h VAL 142 Cb 0.16 -0.21 0.01 0.00 -1.52 0.00 0.00 31.29 29.74 1xwn h VAL 142 CO -0.07 0.23 -0.97 1.23 0.02 0.00 0.00 177.57 178.00 1xwn h GLY 143 N 1.26 0.64 1.17 2.17 0.00 -1.28 -3.26 103.07 103.76 1xwn h GLY 143 Ca 0.41 -1.10 -0.00 0.00 0.00 0.00 0.00 47.33 46.63 1xwn h GLY 143 CO -0.13 0.97 0.49 -0.33 0.00 0.00 0.00 176.54 177.54 1xwn h MET 144 N 0.33 1.10 -7.21 4.80 2.07 -0.87 -3.44 114.93 111.70 1xwn h MET 144 Ca -0.10 -0.10 -0.46 0.00 -2.07 0.00 0.00 59.70 56.97 1xwn h MET 144 Cb 1.62 -0.23 0.20 0.00 -1.87 0.00 0.00 31.60 31.31 1xwn h MET 144 CO 0.18 0.77 0.10 0.54 1.07 0.00 0.00 176.91 179.57 1xwn s VAL 145 N -5.83 2.12 1.11 -2.22 0.11 -0.62 -5.01 120.40 110.06 1xwn s VAL 145 Ca -0.12 0.04 -0.14 0.00 -2.93 0.00 0.00 61.98 58.83 1xwn s VAL 145 Cb 0.17 -2.17 0.25 0.00 -1.53 0.00 0.00 36.38 33.10 1xwn s VAL 145 CO 0.80 -0.05 1.06 -1.61 -3.33 0.00 0.00 175.10 171.97 1xwn s GLU 146 N -4.60 -0.47 0.30 1.54 2.02 -1.26 -5.01 118.70 111.22 1xwn s GLU 146 Ca 0.67 0.50 -0.07 0.00 0.02 0.00 0.00 54.97 56.09 1xwn s GLU 146 Cb -0.23 -1.63 -0.00 0.00 0.10 0.00 0.00 34.13 32.36 1xwn s GLU 146 CO 0.62 -3.33 0.46 0.95 0.02 0.00 0.00 175.26 173.97 1xwn s THR 147 N -2.77 0.00 0.44 3.63 -4.23 -1.26 -3.92 115.64 107.52 1xwn s THR 147 Ca 0.67 -1.54 0.02 0.00 -1.18 0.00 0.00 61.69 59.66 1xwn s THR 147 Cb -0.19 -2.49 0.08 0.00 1.34 0.00 0.00 72.50 71.24 1xwn s THR 147 CO 0.60 0.00 0.60 -3.20 -0.54 0.00 0.00 174.62 172.08 1xwn n ASN 148 N -0.94 1.08 -1.91 3.99 5.15 -0.11 -4.96 115.26 117.56 1xwn n ASN 148 Ca -0.00 -1.85 -0.19 0.00 -0.60 0.00 0.00 54.58 51.94 1xwn n ASN 148 Cb 0.62 -0.36 0.08 0.00 -0.53 0.00 0.00 39.78 39.59 1xwn n ASN 148 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1xwn n SER 149 N -2.79 5.20 -2.08 1.20 7.64 -1.26 -3.94 113.62 117.59 1xwn n SER 149 Ca 0.11 -3.16 -0.03 0.00 1.01 0.00 0.00 58.87 56.80 1xwn n SER 149 Cb 0.39 -0.88 0.06 0.00 -1.01 0.00 0.00 64.21 62.77 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 -0.29 0.86 -3.80 1.43 6.02 -1.26 -4.99 117.38 115.35 1xwn n GLN 150 Ca 0.39 -1.02 -0.27 0.00 -0.01 0.00 0.00 57.00 56.09 1xwn n GLN 150 Cb 0.92 0.42 0.04 0.00 1.02 0.00 0.00 30.24 32.64 1xwn n GLN 150 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1xwn n ASP 151 N -0.98 -4.57 -4.43 1.08 9.92 -1.25 -4.98 116.55 111.33 1xwn n ASP 151 Ca -0.19 -0.72 -0.34 0.00 -0.53 0.00 0.00 54.79 53.01 1xwn n ASP 151 Cb 0.78 -4.22 -0.13 0.00 -0.64 0.00 0.00 41.12 36.91 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 -6.42 3.56 0.71 -1.24 3.00 -1.26 -3.25 118.95 114.06 1xwn s ARG 152 Ca 0.53 -0.56 -0.15 0.00 -1.00 0.00 0.00 55.73 54.55 1xwn s ARG 152 Cb -0.26 -2.96 0.03 0.00 0.00 0.00 0.00 34.95 31.75 1xwn s ARG 152 CO 0.80 0.07 1.18 -1.25 0.00 0.00 0.00 175.30 176.10 1xwn s PRO 153 N 0.81 2.34 -0.14 5.12 0.04 -1.26 -0.93 135.00 140.98 1xwn s PRO 153 Ca -0.01 1.66 0.15 0.00 0.04 0.00 0.00 61.00 62.84 1xwn s PRO 153 Cb -0.14 -1.87 -0.21 0.00 0.04 0.00 0.00 34.50 32.31 1xwn s PRO 153 CO 0.02 -1.66 0.11 0.28 0.04 0.00 0.00 177.00 175.79 1xwn n VAL 154 N -2.61 0.92 -0.15 -0.36 0.31 -1.25 -4.44 118.33 110.76 1xwn n VAL 154 Ca 0.13 -0.64 0.06 0.00 -0.01 0.00 0.00 64.34 63.87 1xwn n VAL 154 Cb 0.51 -0.45 0.27 0.00 -0.91 0.00 0.00 33.84 33.25 1xwn n VAL 154 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1xwn n ASP 155 N -2.52 3.91 -2.28 4.52 8.00 -1.26 -5.00 116.55 121.92 1xwn n ASP 155 Ca -0.22 -2.49 0.00 0.00 0.71 0.00 0.00 54.79 52.78 1xwn n ASP 155 Cb 0.93 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 1xwn n ASP 155 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xwn n ASP 156 N 0.56 -4.78 -4.55 -2.24 -0.08 -1.26 -4.78 116.55 99.43 1xwn n ASP 156 Ca 0.19 0.40 -0.41 0.00 -1.51 0.00 0.00 54.79 53.46 1xwn n ASP 156 Cb 0.79 -1.08 -0.03 0.00 2.34 0.00 0.00 41.12 43.15 1xwn n ASP 156 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1xwn s VAL 157 N -0.47 3.79 -0.18 5.18 1.01 -1.26 -4.63 120.40 123.84 1xwn s VAL 157 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 61.98 62.00 1xwn s VAL 157 Cb 0.00 -4.95 -0.04 0.00 0.00 0.00 0.00 36.38 31.39 1xwn s VAL 157 CO 0.00 -1.87 0.09 -0.75 0.00 0.00 0.00 175.10 172.57 1xwn s LYS 158 N 5.50 4.01 -0.13 2.72 2.20 -1.26 -2.70 119.74 130.08 1xwn s LYS 158 Ca 0.37 -0.29 -0.05 0.00 -0.36 0.00 0.00 55.97 55.64 1xwn s LYS 158 Cb -0.06 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.95 1xwn s LYS 158 CO 0.09 0.31 0.05 0.42 -0.36 0.00 0.00 175.35 175.85 1xwn s ILE 159 N 0.28 4.67 0.00 5.43 1.01 0.20 0.12 121.20 132.91 1xwn s ILE 159 Ca 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.61 1xwn s ILE 159 Cb -0.12 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.32 1xwn s ILE 159 CO -0.00 0.55 0.27 2.30 0.00 0.00 0.00 174.94 178.05 1xwn n ILE 160 N 2.72 0.07 -3.68 2.92 -0.00 -1.15 0.51 119.36 120.75 1xwn n ILE 160 Ca -0.18 -0.18 -0.10 0.00 -0.00 0.00 0.00 62.75 62.29 1xwn n ILE 160 Cb 0.53 1.50 -0.09 0.00 -0.00 0.00 0.00 39.64 41.58 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 -0.07 0.52 -0.48 6.28 1.02 -0.41 -4.76 119.74 121.84 1xwn s LYS 161 Ca 0.00 0.89 0.06 0.00 0.02 0.00 0.00 55.97 56.95 1xwn s LYS 161 Cb 0.00 0.08 0.18 0.00 -0.52 0.00 0.00 37.83 37.58 1xwn s LYS 161 CO 0.00 -0.14 0.62 0.00 -0.92 0.00 0.00 175.35 174.91 1xwn s ALA 162 N 1.24 -1.37 0.05 5.17 0.00 -1.26 -1.42 121.76 124.17 1xwn s ALA 162 Ca -0.08 -0.77 -0.06 0.00 0.00 0.00 0.00 51.96 51.04 1xwn s ALA 162 Cb -0.07 -2.47 -0.01 0.00 0.00 0.00 0.00 23.12 20.58 1xwn s ALA 162 CO -0.12 -2.18 0.12 1.52 0.00 0.00 0.00 175.76 175.10 1xwn s TYR 163 N 0.86 0.20 0.96 0.00 -0.85 -1.18 -4.85 117.35 112.48 1xwn s TYR 163 Ca 0.28 -0.55 -0.16 0.00 -0.52 0.00 0.00 57.07 56.12 1xwn s TYR 163 Cb -0.01 -0.13 0.20 0.00 0.38 0.00 0.00 41.96 42.40 1xwn s TYR 163 CO -0.08 -0.43 1.32 -2.14 -1.52 0.00 0.00 175.55 172.71 1xwn s PRO 164 N -3.09 0.66 -0.08 -3.49 0.02 -1.26 -0.71 135.00 127.05 1xwn s PRO 164 Ca -0.01 -0.40 -0.01 0.00 0.02 0.00 0.00 61.00 60.60 1xwn s PRO 164 Cb 0.02 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.72 1xwn s PRO 164 CO -0.07 -2.41 0.00 -1.12 -0.33 0.00 0.00 177.00 173.08 1xwn s SER 165 N -4.88 1.67 0.00 2.53 0.01 -1.26 -4.73 113.70 107.04 1xwn s SER 165 Ca 0.74 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.87 1xwn s SER 165 Cb -0.04 -0.45 0.00 0.00 0.21 0.00 0.00 66.02 65.74 1xwn s SER 165 CO 0.53 -0.20 0.00 0.61 0.41 0.00 0.00 173.24 174.59