#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y63 s GLN 7 N 0.00 4.80 0.46 5.31 -1.52 -1.26 -4.96 119.66 122.49 1y63 s GLN 7 Ca 0.00 1.44 -0.24 0.00 -1.95 0.00 0.00 55.36 54.61 1y63 s GLN 7 Cb 0.00 -3.21 -0.09 0.00 -0.22 0.00 0.00 33.01 29.50 1y63 s GLN 7 CO 0.00 0.49 1.22 -2.30 -0.25 0.00 0.00 175.29 174.45 1y63 n PRO 8 N 1.36 1.73 0.06 2.91 -0.02 -1.26 -4.92 135.00 134.85 1y63 n PRO 8 Ca -0.02 0.62 0.12 0.00 -2.02 0.00 0.00 63.50 62.20 1y63 n PRO 8 Cb 0.48 -2.35 0.15 0.00 -0.02 0.00 0.00 33.50 31.75 1y63 n PRO 8 CO 0.00 0.00 0.00 0.87 1.98 0.00 0.00 175.50 178.35 1y63 h LYS 9 N 1.77 0.00 0.00 -0.52 1.57 -1.74 -3.48 116.57 114.17 1y63 h LYS 9 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1y63 h LYS 9 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 1y63 h LYS 9 CO 0.58 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.87 1y63 n GLY 10 N 1.33 5.66 3.67 3.86 0.00 -1.24 -4.68 105.19 113.80 1y63 n GLY 10 Ca 0.03 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.70 1y63 n GLY 10 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1y63 s ILE 11 N -0.38 5.33 -0.10 -0.61 -1.09 -1.26 -4.97 121.20 118.12 1y63 s ILE 11 Ca 0.00 0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.76 1y63 s ILE 11 Cb 0.00 -3.55 -0.01 0.00 -1.58 0.00 0.00 42.46 37.33 1y63 s ILE 11 CO 0.00 0.34 -0.21 0.20 -1.23 0.00 0.00 174.94 174.04 1y63 s ASN 12 N 0.94 3.37 -0.02 3.58 0.01 -1.26 -1.49 114.94 120.06 1y63 s ASN 12 Ca 0.10 -0.48 0.08 0.00 -0.71 0.00 0.00 52.86 51.85 1y63 s ASN 12 Cb -0.13 -1.41 -0.02 0.00 0.41 0.00 0.00 41.25 40.10 1y63 s ASN 12 CO 0.04 0.17 -0.26 -0.63 -1.51 0.00 0.00 177.10 174.92 1y63 s ILE 13 N 0.28 2.05 -0.16 0.60 1.01 -0.07 -1.05 121.20 123.86 1y63 s ILE 13 Ca -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 60.65 59.36 1y63 s ILE 13 Cb -0.17 -1.70 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 1y63 s ILE 13 CO 0.07 0.58 -0.04 -0.22 0.00 0.00 0.00 174.94 175.33 1y63 s LEU 14 N -0.60 3.18 -0.26 2.97 2.96 -0.34 -0.14 118.68 126.46 1y63 s LEU 14 Ca 0.10 -0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1y63 s LEU 14 Cb -0.10 -1.77 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 1y63 s LEU 14 CO -0.01 0.15 0.04 -0.63 -1.32 0.00 0.00 176.35 174.58 1y63 s ILE 15 N 0.47 3.93 0.36 6.68 -1.09 0.58 -0.13 121.20 131.99 1y63 s ILE 15 Ca -0.04 -0.44 0.04 0.00 -2.23 0.00 0.00 60.65 57.97 1y63 s ILE 15 Cb -0.14 -2.89 -0.03 0.00 -1.58 0.00 0.00 42.46 37.81 1y63 s ILE 15 CO 0.03 0.27 0.14 0.28 -1.23 0.00 0.00 174.94 174.43 1y63 s THR 16 N 1.54 0.55 0.00 2.92 -1.32 0.04 -1.99 115.64 117.38 1y63 s THR 16 Ca 0.05 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.53 1y63 s THR 16 Cb -0.16 -2.46 0.00 0.00 -1.51 0.00 0.00 72.50 68.37 1y63 s THR 16 CO 0.01 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.03 1y63 n GLY 17 N -0.76 4.47 3.59 6.08 0.00 -1.26 -1.38 105.19 115.93 1y63 n GLY 17 Ca -0.03 -1.44 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 1y63 n GLY 17 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1y63 n THR 18 N -2.00 2.38 -1.57 2.61 -1.04 -1.26 -4.41 114.28 108.99 1y63 n THR 18 Ca 0.00 -0.50 -0.51 0.00 -2.04 0.00 0.00 64.05 61.00 1y63 n THR 18 Cb 0.00 -1.07 -0.05 0.00 -1.82 0.00 0.00 70.33 67.39 1y63 n THR 18 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 1y63 n PRO 19 N 0.20 0.99 -0.07 -2.82 -0.02 -1.26 -1.67 135.00 130.34 1y63 n PRO 19 Ca 0.10 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 1y63 n PRO 19 Cb 0.39 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 1y63 n PRO 19 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y63 n GLY 20 N 2.17 0.68 0.15 -1.23 0.00 -1.26 -4.95 105.19 100.75 1y63 n GLY 20 Ca 0.17 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.32 1y63 n GLY 20 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 1y63 h THR 21 N 0.00 0.00 0.00 2.61 1.35 -1.65 -3.47 112.91 111.74 1y63 h THR 21 Ca 0.00 -0.41 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 1y63 h THR 21 Cb 0.00 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 1y63 h THR 21 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1y63 n GLY 22 N 0.48 1.73 0.10 5.82 0.00 -1.26 -4.78 105.19 107.29 1y63 n GLY 22 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 1y63 n GLY 22 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y63 h LYS 23 N 0.00 -0.16 -0.54 1.61 1.57 -1.90 -0.28 116.57 116.86 1y63 h LYS 23 Ca 0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1y63 h LYS 23 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 1y63 h LYS 23 CO 0.00 -0.09 0.02 1.15 -0.57 0.00 0.00 179.45 179.96 1y63 h THR 24 N -0.19 1.26 -0.38 -0.16 2.02 -1.96 0.85 112.91 114.36 1y63 h THR 24 Ca -0.02 -1.08 0.01 0.00 0.77 0.00 0.00 66.41 66.09 1y63 h THR 24 Cb 0.15 0.89 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1y63 h THR 24 CO 0.03 0.39 0.23 0.28 0.37 0.00 0.00 175.52 176.82 1y63 h SER 25 N 0.82 0.39 -0.47 4.18 0.02 -1.96 0.47 113.55 117.00 1y63 h SER 25 Ca 0.16 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.01 1y63 h SER 25 Cb 0.51 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1y63 h SER 25 CO 0.02 0.28 -0.09 -0.03 -1.14 0.00 0.00 176.83 175.88 1y63 h MET 26 N 0.47 0.89 -0.64 3.45 -1.53 -0.79 -1.43 114.93 115.34 1y63 h MET 26 Ca 0.15 -0.33 -0.05 0.00 -3.44 0.00 0.00 59.70 56.03 1y63 h MET 26 Cb -0.02 -0.06 -0.03 0.00 -0.55 0.00 0.00 31.60 30.94 1y63 h MET 26 CO -0.05 0.97 0.21 0.00 0.14 0.00 0.00 176.91 178.17 1y63 h ALA 27 N 0.89 1.15 -0.22 0.39 0.00 -0.58 -0.63 119.26 120.26 1y63 h ALA 27 Ca 0.12 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1y63 h ALA 27 Cb 0.63 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1y63 h ALA 27 CO 0.04 0.59 -0.42 0.93 0.00 0.00 0.00 179.25 180.40 1y63 h GLU 28 N 0.95 0.52 -0.63 0.00 4.39 -0.78 -0.19 114.58 118.83 1y63 h GLU 28 Ca 0.21 -0.27 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1y63 h GLU 28 Cb 0.26 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.89 1y63 h GLU 28 CO -0.01 0.84 0.42 1.98 -1.16 0.00 0.00 179.01 181.08 1y63 h MET 29 N 0.42 0.83 -0.19 2.33 4.05 -0.69 -0.29 114.93 121.39 1y63 h MET 29 Ca 0.03 -0.05 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 1y63 h MET 29 Cb 0.91 -0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.51 1y63 h MET 29 CO 0.08 0.55 0.12 0.82 0.23 0.00 0.00 176.91 178.70 1y63 h ILE 30 N 0.85 1.08 -0.25 1.77 2.04 -0.91 0.19 117.51 122.28 1y63 h ILE 30 Ca 0.23 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.87 1y63 h ILE 30 Cb -0.10 0.86 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1y63 h ILE 30 CO -0.05 0.08 0.02 0.00 0.00 0.00 0.00 178.15 178.19 1y63 h ALA 31 N 1.03 1.57 0.05 1.87 0.00 -0.82 0.02 119.26 122.99 1y63 h ALA 31 Ca 0.07 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.59 1y63 h ALA 31 Cb 0.02 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1y63 h ALA 31 CO -0.01 0.32 -1.07 0.00 0.00 0.00 0.00 179.25 178.48 1y63 h ALA 32 N 1.67 0.21 0.00 0.00 0.00 -0.74 -3.41 119.26 116.99 1y63 h ALA 32 Ca 0.08 -0.75 -0.35 0.00 0.00 0.00 0.00 54.91 53.89 1y63 h ALA 32 Cb 0.21 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1y63 h ALA 32 CO 0.00 0.80 -2.33 0.39 0.00 0.00 0.00 179.25 178.11 1y63 n GLU 33 N -3.73 0.74 -3.00 0.00 1.02 0.03 -5.00 120.64 110.70 1y63 n GLU 33 Ca -0.09 0.08 -0.25 0.00 -0.02 0.00 0.00 57.16 56.87 1y63 n GLU 33 Cb 0.91 -1.48 -0.00 0.00 -0.02 0.00 0.00 31.44 30.84 1y63 n GLU 33 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1y63 s LEU 34 N -5.98 3.79 -0.18 -4.62 1.43 -0.03 -5.04 118.68 108.06 1y63 s LEU 34 Ca -0.23 0.65 -0.25 0.00 -1.03 0.00 0.00 54.13 53.27 1y63 s LEU 34 Cb 0.07 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.73 1y63 s LEU 34 CO 0.64 -0.47 0.81 -0.62 0.23 0.00 0.00 176.35 176.94 1y63 s ASP 35 N -4.09 6.92 -0.52 2.29 2.15 -1.26 -4.28 116.67 117.88 1y63 s ASP 35 Ca 0.44 1.13 0.00 0.00 0.43 0.00 0.00 52.55 54.56 1y63 s ASP 35 Cb -0.10 -2.44 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 1y63 s ASP 35 CO 0.40 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.62 1y63 n GLY 36 N 3.51 0.35 3.75 2.66 0.00 -1.26 -4.88 105.19 109.32 1y63 n GLY 36 Ca 0.04 -0.70 -0.36 0.00 0.00 0.00 0.00 46.02 45.01 1y63 n GLY 36 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1y63 s PHE 37 N -2.26 3.45 -0.16 1.61 0.40 -1.26 -1.69 117.98 118.07 1y63 s PHE 37 Ca 0.00 0.41 -0.05 0.00 -0.60 0.00 0.00 56.93 56.69 1y63 s PHE 37 Cb 0.00 -2.16 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 1y63 s PHE 37 CO 0.00 0.35 0.02 -1.14 0.70 0.00 0.00 175.22 175.14 1y63 s GLN 38 N 0.17 3.71 -0.14 0.44 0.74 -0.32 -4.64 119.66 119.62 1y63 s GLN 38 Ca 0.11 -0.41 -0.20 0.00 0.05 0.00 0.00 55.36 54.91 1y63 s GLN 38 Cb -0.12 -3.04 -0.04 0.00 1.10 0.00 0.00 33.01 30.92 1y63 s GLN 38 CO -0.00 0.34 0.55 -1.58 -0.55 0.00 0.00 175.29 174.05 1y63 s HIS 39 N 0.14 3.47 -0.33 1.67 5.65 -1.26 -0.48 115.29 124.16 1y63 s HIS 39 Ca 0.02 0.94 -0.04 0.00 0.25 0.00 0.00 55.06 56.24 1y63 s HIS 39 Cb -0.13 -2.66 0.05 0.00 -1.18 0.00 0.00 32.58 28.66 1y63 s HIS 39 CO 0.02 0.04 0.06 -0.51 -0.65 0.00 0.00 174.74 173.70 1y63 s LEU 40 N 1.07 4.22 -0.80 8.88 1.02 -0.27 -4.96 118.68 127.84 1y63 s LEU 40 Ca 0.28 -1.32 -0.20 0.00 0.02 0.00 0.00 54.13 52.91 1y63 s LEU 40 Cb -0.16 -1.78 0.10 0.00 0.02 0.00 0.00 46.19 44.37 1y63 s LEU 40 CO 0.12 -0.32 1.04 -0.70 0.02 0.00 0.00 176.35 176.50 1y63 s GLU 41 N 1.29 3.36 0.35 1.70 2.12 -1.26 -1.37 118.70 124.90 1y63 s GLU 41 Ca -0.02 -1.35 0.04 0.00 0.36 0.00 0.00 54.97 54.00 1y63 s GLU 41 Cb -0.20 -4.60 0.64 0.00 0.26 0.00 0.00 34.13 30.23 1y63 s GLU 41 CO -0.00 -1.78 1.94 0.28 -0.54 0.00 0.00 175.26 175.16 1y63 h VAL 42 N 5.92 1.17 -0.77 3.70 2.07 -1.78 -1.59 116.25 124.96 1y63 h VAL 42 Ca -0.06 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.00 1y63 h VAL 42 Cb 1.05 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 31.41 1y63 h VAL 42 CO 1.14 0.21 0.51 1.23 0.02 0.00 0.00 177.57 180.68 1y63 h GLY 43 N 0.79 1.04 1.16 2.17 0.00 -1.92 0.28 103.07 106.60 1y63 h GLY 43 Ca 0.15 -0.32 -0.12 0.00 0.00 0.00 0.00 47.33 47.05 1y63 h GLY 43 CO -0.01 0.22 -0.15 0.50 0.00 0.00 0.00 176.54 177.10 1y63 h LYS 44 N 0.79 0.97 -0.60 4.80 1.57 -1.68 -1.92 116.57 120.50 1y63 h LYS 44 Ca 0.34 -0.37 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1y63 h LYS 44 Cb 0.30 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.53 1y63 h LYS 44 CO -0.12 1.04 0.28 -0.07 -0.57 0.00 0.00 179.45 180.02 1y63 h LEU 45 N 0.86 0.79 -0.37 2.94 3.38 -1.02 0.69 115.31 122.59 1y63 h LEU 45 Ca 0.13 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1y63 h LEU 45 Cb 0.71 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1y63 h LEU 45 CO 0.05 0.71 0.24 0.58 0.09 0.00 0.00 178.44 180.10 1y63 h VAL 46 N 0.82 1.10 0.11 1.22 2.07 -0.86 -1.58 116.25 119.14 1y63 h VAL 46 Ca 0.21 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1y63 h VAL 46 Cb 0.13 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1y63 h VAL 46 CO -0.02 0.10 -0.05 0.50 0.02 0.00 0.00 177.57 178.11 1y63 h LYS 47 N 0.49 -0.14 -0.29 1.57 3.64 -1.11 -1.10 116.57 119.63 1y63 h LYS 47 Ca 0.13 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1y63 h LYS 47 Cb -0.04 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1y63 h LYS 47 CO -0.03 -0.01 -0.02 0.93 -2.27 0.00 0.00 179.45 178.05 1y63 h GLU 48 N -0.25 0.45 -0.44 1.90 5.08 -0.68 -2.93 114.58 117.70 1y63 h GLU 48 Ca -0.02 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 1y63 h GLU 48 Cb 0.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.38 1y63 h GLU 48 CO 0.03 0.49 0.00 0.09 -1.00 0.00 0.00 179.01 178.61 1y63 n ASN 49 N -4.29 3.21 -3.91 1.42 3.02 -0.61 -4.97 115.26 109.12 1y63 n ASN 49 Ca 0.01 -1.96 -0.28 0.00 -0.03 0.00 0.00 54.58 52.31 1y63 n ASN 49 Cb 0.24 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.13 1y63 n ASN 49 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1y63 n HIS 50 N 0.93 -2.07 -1.28 3.10 -0.00 -0.76 -4.82 115.22 110.33 1y63 n HIS 50 Ca 0.16 0.86 -0.31 0.00 0.46 0.00 0.00 57.72 58.89 1y63 n HIS 50 Cb 0.49 -3.93 -0.07 0.00 -0.12 0.00 0.00 29.99 26.36 1y63 n HIS 50 CO 0.00 0.00 0.00 1.19 0.46 0.00 0.00 176.34 177.99 1y63 n PHE 51 N -4.52 1.68 -3.49 1.57 3.72 -0.49 -4.78 117.46 111.14 1y63 n PHE 51 Ca -0.08 -2.55 -0.11 0.00 -0.05 0.00 0.00 57.45 54.66 1y63 n PHE 51 Cb 0.58 -2.14 -0.02 0.00 -0.94 0.00 0.00 39.48 36.96 1y63 n PHE 51 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 176.76 178.23 1y63 s TYR 52 N 1.41 -0.48 -0.22 1.38 -0.85 -1.26 -4.73 117.35 112.60 1y63 s TYR 52 Ca 0.67 0.23 -0.15 0.00 -0.52 0.00 0.00 57.07 57.31 1y63 s TYR 52 Cb 0.23 0.57 -0.18 0.00 0.38 0.00 0.00 41.96 42.96 1y63 s TYR 52 CO -0.05 -0.90 0.06 2.41 -1.52 0.00 0.00 175.55 175.55 1y63 n THR 53 N -0.39 1.57 -2.44 -3.49 -1.04 0.24 -4.99 114.28 103.75 1y63 n THR 53 Ca -0.15 -0.26 -0.22 0.00 -2.04 0.00 0.00 64.05 61.38 1y63 n THR 53 Cb 0.64 -1.90 0.01 0.00 -1.82 0.00 0.00 70.33 67.26 1y63 n THR 53 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1y63 n GLU 54 N -4.14 2.97 0.00 -2.82 1.02 -1.19 -4.98 120.64 111.51 1y63 n GLU 54 Ca -0.39 -4.17 0.00 0.00 -0.02 0.00 0.00 57.16 52.58 1y63 n GLU 54 Cb 0.82 -2.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1y63 n GLU 54 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1y63 n THR 61 N -0.46 0.00 0.00 2.62 -2.24 -1.26 -0.75 114.28 112.19 1y63 n THR 61 Ca 0.33 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.11 1y63 n THR 61 Cb 0.75 -0.15 0.00 0.00 -2.10 0.00 0.00 70.33 68.83 1y63 n THR 61 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07 1y63 n HIS 62 N 0.10 0.00 -2.83 4.78 -0.00 -1.26 -4.86 115.22 111.15 1y63 n HIS 62 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.30 1y63 n HIS 62 Cb 0.00 -0.08 -0.04 0.00 -0.00 0.00 0.00 29.99 29.88 1y63 n HIS 62 CO 0.00 0.00 0.00 0.96 -0.00 0.00 0.00 176.34 177.30 1y63 s ILE 63 N -0.23 4.82 -0.25 3.57 -4.36 0.07 -4.94 121.20 119.88 1y63 s ILE 63 Ca 0.00 1.71 -0.05 0.00 -0.26 0.00 0.00 60.65 62.05 1y63 s ILE 63 Cb 0.00 -4.17 0.00 0.00 1.25 0.00 0.00 42.46 39.54 1y63 s ILE 63 CO 0.00 -0.06 0.00 -0.63 0.24 0.00 0.00 174.94 174.50 1y63 s ILE 64 N 2.63 3.53 0.55 8.37 1.01 -1.26 0.82 121.20 136.84 1y63 s ILE 64 Ca 0.39 -0.65 0.07 0.00 0.00 0.00 0.00 60.65 60.46 1y63 s ILE 64 Cb -0.16 -2.72 0.07 0.00 0.01 0.00 0.00 42.46 39.66 1y63 s ILE 64 CO 0.09 0.25 0.75 -1.61 0.00 0.00 0.00 174.94 174.43 1y63 s GLU 65 N 1.46 2.39 0.22 2.79 2.02 -1.26 -4.93 118.70 121.39 1y63 s GLU 65 Ca 0.04 -1.38 -0.08 0.00 0.02 0.00 0.00 54.97 53.57 1y63 s GLU 65 Cb -0.16 -2.62 0.31 0.00 0.10 0.00 0.00 34.13 31.76 1y63 s GLU 65 CO -0.01 -0.76 1.76 1.49 0.02 0.00 0.00 175.26 177.77 1y63 h GLU 66 N 0.21 0.50 -0.20 1.61 4.81 -2.00 -1.54 114.58 117.97 1y63 h GLU 66 Ca -0.35 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 58.77 1y63 h GLU 66 Cb 1.28 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 1y63 h GLU 66 CO 0.43 0.33 -0.22 1.57 -0.73 0.00 0.00 179.01 180.39 1y63 h LYS 67 N 0.52 0.35 -0.37 1.92 2.10 -1.99 -1.86 116.57 117.24 1y63 h LYS 67 Ca 0.33 -0.11 -0.07 0.00 -2.00 0.00 0.00 60.65 58.80 1y63 h LYS 67 Cb 0.37 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 1y63 h LYS 67 CO -0.28 0.56 -0.03 -0.44 -2.00 0.00 0.00 179.45 177.25 1y63 h ASP 68 N 0.32 0.66 -0.53 7.07 3.32 -1.64 -1.77 116.42 123.85 1y63 h ASP 68 Ca 0.05 -0.33 0.03 0.00 0.02 0.00 0.00 57.03 56.80 1y63 h ASP 68 Cb 0.57 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 39.90 1y63 h ASP 68 CO 0.04 0.83 0.31 -0.33 -1.72 0.00 0.00 179.24 178.38 1y63 h GLU 69 N 0.48 0.60 -0.42 3.56 5.08 -1.15 -1.94 114.58 120.78 1y63 h GLU 69 Ca 0.10 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.46 1y63 h GLU 69 Cb 0.51 -0.14 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 1y63 h GLU 69 CO 0.03 0.40 0.20 -0.44 -1.00 0.00 0.00 179.01 178.19 1y63 h ASP 70 N 0.62 0.28 -0.71 1.42 3.32 -1.09 -0.75 116.42 119.52 1y63 h ASP 70 Ca 0.22 0.03 -0.06 0.00 0.02 0.00 0.00 57.03 57.24 1y63 h ASP 70 Cb 0.04 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.53 1y63 h ASP 70 CO -0.10 0.20 0.22 0.03 -1.72 0.00 0.00 179.24 177.87 1y63 h ARG 71 N 0.41 1.10 -0.22 3.56 3.08 -1.21 -1.05 114.38 120.04 1y63 h ARG 71 Ca 0.18 -0.24 0.02 0.00 0.07 0.00 0.00 59.98 60.01 1y63 h ARG 71 Cb 0.10 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 1y63 h ARG 71 CO -0.14 0.94 0.10 1.25 -1.07 0.00 0.00 179.97 181.05 1y63 h LEU 72 N 1.04 0.13 -0.89 3.04 5.85 -0.95 -1.83 115.31 121.71 1y63 h LEU 72 Ca 0.23 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 1y63 h LEU 72 Cb 0.30 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.28 1y63 h LEU 72 CO -0.01 0.11 0.42 -0.07 -0.34 0.00 0.00 178.44 178.55 1y63 h LEU 73 N 0.21 1.10 -1.00 2.25 3.38 -0.87 -0.60 115.31 119.79 1y63 h LEU 73 Ca 0.09 -0.13 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1y63 h LEU 73 Cb 0.04 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1y63 h LEU 73 CO -0.08 0.92 0.12 0.44 0.09 0.00 0.00 178.44 179.93 1y63 h ASP 74 N 1.21 0.79 -0.41 -0.43 3.32 -1.06 0.67 116.42 120.51 1y63 h ASP 74 Ca 0.29 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.15 1y63 h ASP 74 Cb 0.10 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.43 1y63 h ASP 74 CO -0.04 0.78 0.08 0.15 -1.72 0.00 0.00 179.24 178.49 1y63 h PHE 75 N 0.81 0.71 -0.00 4.55 3.04 -0.83 -3.26 116.94 121.96 1y63 h PHE 75 Ca 0.17 -0.09 -0.18 0.00 3.98 0.00 0.00 57.97 61.85 1y63 h PHE 75 Cb 0.32 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.61 1y63 h PHE 75 CO 0.02 0.68 -0.82 0.52 -2.02 0.00 0.00 178.31 176.69 1y63 h MET 76 N 0.53 0.08 -0.48 1.11 2.86 -0.75 -3.38 114.93 114.89 1y63 h MET 76 Ca 0.13 -0.09 0.08 0.00 -2.06 0.00 0.00 59.70 57.76 1y63 h MET 76 Cb 0.35 0.02 -0.10 0.00 0.06 0.00 0.00 31.60 31.93 1y63 h MET 76 CO 0.01 0.85 -0.38 1.49 1.06 0.00 0.00 176.91 179.93 1y63 h GLU 77 N 0.05 -0.24 -0.40 1.72 4.57 -0.91 -0.27 114.58 119.09 1y63 h GLU 77 Ca -0.02 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 1y63 h GLU 77 Cb 1.43 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.06 1y63 h GLU 77 CO 0.11 -0.16 0.27 -1.00 -1.18 0.00 0.00 179.01 177.05 1y63 h PRO 78 N -0.25 0.52 -0.30 0.92 0.13 -1.76 -1.93 132.00 129.32 1y63 h PRO 78 Ca 0.18 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.24 1y63 h PRO 78 Cb 0.56 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.56 1y63 h PRO 78 CO -0.61 0.34 0.04 0.82 -0.23 0.00 0.00 178.00 178.37 1y63 h ILE 79 N 0.54 1.24 0.00 -3.56 2.04 -1.34 -2.74 117.51 113.69 1y63 h ILE 79 Ca 0.15 -0.82 -0.05 0.00 1.00 0.00 0.00 64.86 65.14 1y63 h ILE 79 Cb -0.05 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1y63 h ILE 79 CO -0.03 0.27 -0.22 0.24 0.00 0.00 0.00 178.15 178.40 1y63 h MET 80 N 0.33 0.00 -0.03 2.37 2.86 -0.37 -2.15 114.93 117.93 1y63 h MET 80 Ca 0.09 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1y63 h MET 80 Cb 0.35 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1y63 h MET 80 CO 0.01 0.22 -0.01 1.33 1.06 0.00 0.00 176.91 179.52 1y63 n VAL 81 N -3.66 0.00 -1.56 -2.22 0.24 -0.95 -4.64 118.33 105.53 1y63 n VAL 81 Ca -0.01 -0.48 -0.30 0.00 -2.04 0.00 0.00 64.34 61.50 1y63 n VAL 81 Cb 0.35 1.46 0.08 0.00 -1.47 0.00 0.00 33.84 34.25 1y63 n VAL 81 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1y63 s SER 82 N -2.01 4.75 0.58 -1.34 1.04 -0.81 -3.52 113.70 112.39 1y63 s SER 82 Ca 0.28 1.39 -0.19 0.00 0.48 0.00 0.00 55.95 57.91 1y63 s SER 82 Cb 0.20 -2.17 -0.04 0.00 0.10 0.00 0.00 66.02 64.12 1y63 s SER 82 CO 0.31 -1.81 1.23 0.00 0.98 0.00 0.00 173.24 173.95 1y63 s ARG 83 N -5.13 3.01 0.00 4.02 1.70 -1.26 -4.11 118.95 117.17 1y63 s ARG 83 Ca 0.60 1.90 0.00 0.00 -0.47 0.00 0.00 55.73 57.76 1y63 s ARG 83 Cb -0.14 -1.99 0.00 0.00 -0.57 0.00 0.00 34.95 32.24 1y63 s ARG 83 CO 0.54 -1.20 0.00 0.41 -1.08 0.00 0.00 175.30 173.98 1y63 n GLY 84 N 0.57 0.97 3.75 3.88 0.00 -1.26 -4.93 105.19 108.18 1y63 n GLY 84 Ca 0.13 -2.07 -0.31 0.00 0.00 0.00 0.00 46.02 43.77 1y63 n GLY 84 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1y63 s ASN 85 N 0.00 5.44 -0.02 1.61 0.01 -0.68 -3.71 114.94 117.58 1y63 s ASN 85 Ca 0.00 -0.01 0.03 0.00 -0.71 0.00 0.00 52.86 52.17 1y63 s ASN 85 Cb 0.00 -1.45 -0.00 0.00 0.41 0.00 0.00 41.25 40.21 1y63 s ASN 85 CO 0.00 0.20 -0.11 -1.00 -1.51 0.00 0.00 177.10 174.68 1y63 s HIS 86 N -1.31 1.05 -0.27 2.20 3.76 -0.56 -1.17 115.29 118.99 1y63 s HIS 86 Ca 0.27 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 1y63 s HIS 86 Cb -0.12 -0.71 0.05 0.00 1.11 0.00 0.00 32.58 32.91 1y63 s HIS 86 CO 0.19 -0.07 -0.07 0.54 -0.85 0.00 0.00 174.74 174.48 1y63 s VAL 87 N -0.03 2.55 -0.06 -0.90 0.11 0.37 -0.89 120.40 121.54 1y63 s VAL 87 Ca 0.00 -1.42 -0.09 0.00 -2.93 0.00 0.00 61.98 57.54 1y63 s VAL 87 Cb -0.07 -2.43 -0.05 0.00 -1.53 0.00 0.00 36.38 32.30 1y63 s VAL 87 CO 0.00 0.01 0.23 -0.69 -3.33 0.00 0.00 175.10 171.32 1y63 s VAL 88 N 1.20 5.35 -0.21 2.04 1.01 0.81 -1.11 120.40 129.48 1y63 s VAL 88 Ca -0.06 0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1y63 s VAL 88 Cb -0.19 -3.51 0.06 0.00 0.00 0.00 0.00 36.38 32.73 1y63 s VAL 88 CO -0.04 0.54 -0.03 -0.62 0.00 0.00 0.00 175.10 174.95 1y63 s ASP 89 N -1.23 3.37 -0.08 3.32 2.15 -0.47 -0.30 116.67 123.43 1y63 s ASP 89 Ca 0.20 -0.97 -0.30 0.00 0.43 0.00 0.00 52.55 51.91 1y63 s ASP 89 Cb -0.13 -0.96 0.07 0.00 -0.30 0.00 0.00 42.92 41.59 1y63 s ASP 89 CO 0.09 -0.24 0.68 -0.47 -0.17 0.00 0.00 175.17 175.07 1y63 s TYR 90 N 1.57 -0.68 -0.25 -5.34 5.04 -0.84 -1.87 117.35 114.98 1y63 s TYR 90 Ca -0.03 1.24 0.28 0.00 -2.44 0.00 0.00 57.07 56.12 1y63 s TYR 90 Cb -0.18 0.39 0.89 0.00 0.35 0.00 0.00 41.96 43.41 1y63 s TYR 90 CO -0.07 -0.58 1.79 1.12 -1.34 0.00 0.00 175.55 176.48 1y63 h HIS 91 N 3.30 0.00 -2.12 4.97 2.07 -1.85 -3.36 115.15 118.16 1y63 h HIS 91 Ca -0.27 0.00 -0.56 0.00 -2.85 0.00 0.00 60.37 56.68 1y63 h HIS 91 Cb 1.14 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 31.03 1y63 h HIS 91 CO 0.38 0.00 -0.63 -1.12 -3.07 0.00 0.00 177.93 173.49 1y63 s SER 92 N -5.59 4.44 0.00 3.10 0.01 -1.26 -4.24 113.70 110.16 1y63 s SER 92 Ca 0.05 -0.74 0.00 0.00 1.31 0.00 0.00 55.95 56.57 1y63 s SER 92 Cb 0.08 -0.75 0.00 0.00 0.21 0.00 0.00 66.02 65.56 1y63 s SER 92 CO 0.58 -0.07 0.00 -1.54 0.41 0.00 0.00 173.24 172.62 1y63 n SER 93 N -0.92 0.00 0.19 2.44 3.41 -1.26 -4.90 113.62 112.58 1y63 n SER 93 Ca -0.06 0.00 0.06 0.00 -0.26 0.00 0.00 58.87 58.61 1y63 n SER 93 Cb 0.60 0.00 0.53 0.00 -0.26 0.00 0.00 64.21 65.07 1y63 n SER 93 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1y63 h GLU 94 N 0.00 0.12 0.00 4.33 4.81 -1.96 -2.73 114.58 119.14 1y63 h GLU 94 Ca 0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1y63 h GLU 94 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 1y63 h GLU 94 CO 0.00 0.17 -0.16 1.37 -0.73 0.00 0.00 179.01 179.66 1y63 h LEU 95 N 0.12 0.00 -9.96 1.64 -0.00 -1.98 -3.44 115.31 101.67 1y63 h LEU 95 Ca 0.03 0.00 -0.50 0.00 -0.00 0.00 0.00 57.88 57.41 1y63 h LEU 95 Cb 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 1y63 h LEU 95 CO 0.01 0.16 0.09 -0.36 -0.00 0.00 0.00 178.44 178.34 1y63 s PHE 96 N -4.12 3.46 0.26 0.17 0.08 -1.03 -5.03 117.98 111.77 1y63 s PHE 96 Ca -0.02 1.26 -0.29 0.00 0.12 0.00 0.00 56.93 57.99 1y63 s PHE 96 Cb 0.13 -2.55 -0.09 0.00 -0.57 0.00 0.00 43.02 39.93 1y63 s PHE 96 CO 0.61 0.18 1.22 -1.25 -0.10 0.00 0.00 175.22 175.87 1y63 s PRO 97 N -2.66 4.49 0.55 0.24 0.04 -1.26 -4.92 135.00 131.48 1y63 s PRO 97 Ca 0.50 1.98 0.24 0.00 0.04 0.00 0.00 61.00 63.76 1y63 s PRO 97 Cb -0.12 -3.16 1.50 0.00 0.04 0.00 0.00 34.50 32.75 1y63 s PRO 97 CO 0.19 -0.04 2.13 0.93 0.04 0.00 0.00 177.00 180.24 1y63 h GLU 98 N 4.23 0.00 -0.96 4.56 5.08 -1.95 -2.09 114.58 123.45 1y63 h GLU 98 Ca -0.47 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.13 1y63 h GLU 98 Cb 1.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.40 1y63 h GLU 98 CO 0.70 0.00 0.64 -0.09 -1.00 0.00 0.00 179.01 179.26 1y63 h ARG 99 N 0.00 0.32 -0.08 2.33 2.43 -1.99 -2.72 114.38 114.67 1y63 h ARG 99 Ca 0.07 -0.02 -0.16 0.00 -0.81 0.00 0.00 59.98 59.06 1y63 h ARG 99 Cb 0.33 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.80 1y63 h ARG 99 CO -0.00 0.21 -0.65 -1.49 -1.51 0.00 0.00 179.97 176.54 1y63 h TRP 100 N 0.33 0.42 -3.65 2.20 6.55 -1.76 -3.41 115.95 116.63 1y63 h TRP 100 Ca 0.51 -0.17 -0.68 0.00 0.95 0.00 0.00 58.89 59.51 1y63 h TRP 100 Cb 1.41 -0.07 -0.21 0.00 -0.86 0.00 0.00 29.16 29.43 1y63 h TRP 100 CO -0.00 0.87 -0.71 -0.06 -1.05 0.00 0.00 178.44 177.49 1y63 s PHE 101 N -3.72 2.89 -0.60 0.49 0.08 -1.03 -4.51 117.98 111.59 1y63 s PHE 101 Ca -0.05 -0.13 0.19 0.00 0.12 0.00 0.00 56.93 57.07 1y63 s PHE 101 Cb 0.11 -1.74 -0.24 0.00 -0.57 0.00 0.00 43.02 40.58 1y63 s PHE 101 CO 0.82 0.20 0.68 0.72 -0.10 0.00 0.00 175.22 177.54 1y63 n HIS 102 N 2.55 0.00 -3.69 0.36 8.25 -0.22 -4.97 115.22 117.51 1y63 n HIS 102 Ca -0.18 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.15 1y63 n HIS 102 Cb 0.53 -0.16 -0.09 0.00 1.12 0.00 0.00 29.99 31.39 1y63 n HIS 102 CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 1y63 s MET 103 N -3.01 0.64 -0.11 -0.41 -2.45 -1.20 -4.86 119.30 107.90 1y63 s MET 103 Ca 0.02 0.78 0.00 0.00 -1.25 0.00 0.00 55.69 55.24 1y63 s MET 103 Cb 0.14 0.30 0.02 0.00 1.25 0.00 0.00 34.83 36.54 1y63 s MET 103 CO 0.80 -0.08 -0.10 0.08 1.05 0.00 0.00 175.02 176.77 1y63 s VAL 104 N 0.34 1.19 -0.20 10.11 1.01 -0.17 -1.20 120.40 131.48 1y63 s VAL 104 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1y63 s VAL 104 Cb -0.04 -1.15 -0.02 0.00 0.00 0.00 0.00 36.38 35.18 1y63 s VAL 104 CO 0.00 0.39 -0.04 -0.69 0.00 0.00 0.00 175.10 174.76 1y63 s VAL 105 N 1.38 3.56 -0.20 2.92 1.01 0.81 -0.47 120.40 129.40 1y63 s VAL 105 Ca -0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.48 1y63 s VAL 105 Cb -0.14 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 1y63 s VAL 105 CO -0.05 0.44 0.02 -0.69 0.00 0.00 0.00 175.10 174.81 1y63 s VAL 106 N 1.16 4.14 -0.09 2.92 1.01 0.93 -0.78 120.40 129.69 1y63 s VAL 106 Ca 0.02 -0.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1y63 s VAL 106 Cb -0.14 -2.88 -0.05 0.00 0.00 0.00 0.00 36.38 33.31 1y63 s VAL 106 CO -0.00 0.42 0.26 -0.76 0.00 0.00 0.00 175.10 175.02 1y63 s LEU 107 N 0.98 4.38 0.20 3.92 1.43 -0.48 -0.92 118.68 128.20 1y63 s LEU 107 Ca 0.02 0.63 0.11 0.00 -1.03 0.00 0.00 54.13 53.87 1y63 s LEU 107 Cb -0.14 -2.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.72 1y63 s LEU 107 CO 0.02 0.30 -0.21 -1.00 0.23 0.00 0.00 176.35 175.70 1y63 s HIS 108 N -0.66 2.36 -0.06 0.29 3.76 -0.54 -4.38 115.29 116.06 1y63 s HIS 108 Ca 0.18 -0.33 -0.04 0.00 -0.15 0.00 0.00 55.06 54.72 1y63 s HIS 108 Cb -0.14 -1.15 0.02 0.00 1.11 0.00 0.00 32.58 32.42 1y63 s HIS 108 CO 0.07 0.53 0.14 0.99 -0.85 0.00 0.00 174.74 175.62 1y63 s THR 109 N -1.78 -0.01 0.66 1.30 2.01 -1.26 -0.06 115.64 116.49 1y63 s THR 109 Ca 0.23 0.05 -0.17 0.00 0.31 0.00 0.00 61.69 62.10 1y63 s THR 109 Cb -0.08 -0.22 -0.01 0.00 0.01 0.00 0.00 72.50 72.20 1y63 s THR 109 CO 0.11 0.02 1.13 -1.54 -0.69 0.00 0.00 174.62 173.65 1y63 n SER 110 N 3.32 1.31 -0.27 3.53 3.41 -1.26 -4.72 113.62 118.94 1y63 n SER 110 Ca -0.16 0.78 -0.05 0.00 -0.26 0.00 0.00 58.87 59.17 1y63 n SER 110 Cb 0.57 -1.48 0.06 0.00 -0.26 0.00 0.00 64.21 63.11 1y63 n SER 110 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1y63 h THR 111 N 0.28 1.22 -0.68 6.66 1.03 -1.99 -0.60 112.91 118.82 1y63 h THR 111 Ca -0.49 -0.49 0.01 0.00 -0.01 0.00 0.00 66.41 65.43 1y63 h THR 111 Cb 1.35 0.19 -0.04 0.00 -1.07 0.00 0.00 68.15 68.58 1y63 h THR 111 CO 0.51 0.23 0.44 -0.33 -0.01 0.00 0.00 175.52 176.36 1y63 h GLU 112 N 1.03 0.87 -0.31 0.00 5.08 -2.00 -0.12 114.58 119.13 1y63 h GLU 112 Ca 0.27 -0.05 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1y63 h GLU 112 Cb -0.02 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 1y63 h GLU 112 CO -0.05 0.58 -0.18 0.28 -1.00 0.00 0.00 179.01 178.64 1y63 h VAL 113 N 0.90 1.30 -0.34 3.13 2.07 -1.81 -2.89 116.25 118.60 1y63 h VAL 113 Ca 0.26 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.46 1y63 h VAL 113 Cb -0.06 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1y63 h VAL 113 CO -0.07 0.42 0.14 0.25 0.02 0.00 0.00 177.57 178.32 1y63 h LEU 114 N 0.41 0.47 -0.78 2.57 5.85 -0.89 -1.99 115.31 120.95 1y63 h LEU 114 Ca 0.06 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.71 1y63 h LEU 114 Cb 0.72 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 1y63 h LEU 114 CO 0.05 0.51 0.43 0.15 -0.34 0.00 0.00 178.44 179.24 1y63 h PHE 115 N 0.40 0.78 -0.41 1.25 3.57 -1.03 -0.74 116.94 120.77 1y63 h PHE 115 Ca 0.11 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.56 1y63 h PHE 115 Cb 0.18 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 38.68 1y63 h PHE 115 CO -0.00 0.32 -0.07 0.93 -2.23 0.00 0.00 178.31 177.25 1y63 h GLU 116 N 0.73 0.77 -0.59 1.11 5.08 -1.27 -1.84 114.58 118.57 1y63 h GLU 116 Ca 0.38 -0.28 0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1y63 h GLU 116 Cb 0.34 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.51 1y63 h GLU 116 CO -0.25 0.89 0.38 0.00 -1.00 0.00 0.00 179.01 179.03 1y63 h ARG 117 N 0.59 0.75 0.00 2.33 3.08 -0.90 -0.28 114.38 119.94 1y63 h ARG 117 Ca 0.11 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1y63 h ARG 117 Cb 0.58 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1y63 h ARG 117 CO 0.03 0.49 -0.37 -0.07 -1.07 0.00 0.00 179.97 178.99 1y63 h LEU 118 N 0.77 0.00 -0.00 3.04 3.38 -1.02 0.04 115.31 121.51 1y63 h LEU 118 Ca 0.23 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.19 1y63 h LEU 118 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1y63 h LEU 118 CO -0.07 0.37 -0.01 0.74 0.09 0.00 0.00 178.44 179.55 1y63 h THR 119 N 0.00 1.49 -0.42 0.22 2.02 -0.89 -1.76 112.91 113.57 1y63 h THR 119 Ca -0.00 -1.47 -0.05 0.00 0.77 0.00 0.00 66.41 65.66 1y63 h THR 119 Cb 0.65 2.47 -0.02 0.00 -1.74 0.00 0.00 68.15 69.52 1y63 h THR 119 CO 0.05 0.38 0.04 0.11 0.37 0.00 0.00 175.52 176.47 1y63 h LYS 120 N -0.59 0.66 -0.03 6.66 1.57 -0.96 0.37 116.57 124.25 1y63 h LYS 120 Ca -0.00 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1y63 h LYS 120 Cb 0.64 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1y63 h LYS 120 CO 0.00 0.65 0.00 0.54 -0.57 0.00 0.00 179.45 180.07 1y63 n ARG 121 N -4.27 1.10 -2.53 3.15 5.12 -0.01 -4.93 116.66 114.28 1y63 n ARG 121 Ca 0.02 -0.14 -0.15 0.00 -1.93 0.00 0.00 57.85 55.65 1y63 n ARG 121 Cb 0.25 -1.23 0.01 0.00 -1.16 0.00 0.00 32.46 30.33 1y63 n ARG 121 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 1y63 n GLN 122 N -0.57 -2.31 -2.06 5.56 6.02 0.12 -5.01 117.38 119.13 1y63 n GLN 122 Ca 0.11 0.67 -0.36 0.00 -0.01 0.00 0.00 57.00 57.41 1y63 n GLN 122 Cb 0.08 -4.97 0.03 0.00 1.02 0.00 0.00 30.24 26.40 1y63 n GLN 122 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1y63 s TYR 123 N -2.86 2.47 0.82 1.08 1.51 -0.70 -5.00 117.35 114.68 1y63 s TYR 123 Ca 0.11 1.53 -0.12 0.00 -1.01 0.00 0.00 57.07 57.58 1y63 s TYR 123 Cb -0.05 -3.41 0.09 0.00 -0.11 0.00 0.00 41.96 38.48 1y63 s TYR 123 CO 0.13 -2.02 1.15 -1.54 -1.11 0.00 0.00 175.55 172.16 1y63 s SER 124 N -1.70 3.77 0.35 2.29 1.04 -1.26 -4.72 113.70 113.47 1y63 s SER 124 Ca 0.76 2.14 0.03 0.00 0.48 0.00 0.00 55.95 59.35 1y63 s SER 124 Cb -0.28 -2.56 0.65 0.00 0.10 0.00 0.00 66.02 63.93 1y63 s SER 124 CO 0.32 -2.54 2.00 -0.33 0.98 0.00 0.00 173.24 173.67 1y63 h GLU 125 N -1.15 0.77 -0.26 4.02 3.07 -1.99 0.10 114.58 119.14 1y63 h GLU 125 Ca -0.45 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.32 1y63 h GLU 125 Cb 1.27 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 1y63 h GLU 125 CO 0.47 0.54 0.05 0.00 -1.40 0.00 0.00 179.01 178.66 1y63 h ALA 126 N 1.60 0.35 -0.38 3.43 0.00 -2.00 -1.43 119.26 120.83 1y63 h ALA 126 Ca 0.21 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 1y63 h ALA 126 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1y63 h ALA 126 CO -0.04 0.03 -0.24 0.87 0.00 0.00 0.00 179.25 179.87 1y63 h LYS 127 N 0.25 0.77 -0.09 0.00 1.79 -1.74 -0.81 116.57 116.74 1y63 h LYS 127 Ca 0.08 -0.31 0.01 0.00 -2.18 0.00 0.00 60.65 58.25 1y63 h LYS 127 Cb 0.32 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 1y63 h LYS 127 CO 0.00 0.93 0.01 -0.09 -1.08 0.00 0.00 179.45 179.22 1y63 h ARG 128 N 0.67 0.05 -0.73 3.15 2.43 -0.92 -0.85 114.38 118.18 1y63 h ARG 128 Ca 0.09 -0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.23 1y63 h ARG 128 Cb 0.75 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1y63 h ARG 128 CO 0.06 0.03 0.35 0.00 -1.51 0.00 0.00 179.97 178.90 1y63 h ALA 129 N 1.07 0.94 -0.69 2.80 0.00 -1.02 -0.36 119.26 122.00 1y63 h ALA 129 Ca 0.04 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1y63 h ALA 129 Cb 0.04 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 1y63 h ALA 129 CO -0.06 0.51 0.42 0.93 0.00 0.00 0.00 179.25 181.05 1y63 h GLU 130 N 1.02 0.78 -0.28 0.00 5.08 -0.97 -1.21 114.58 119.01 1y63 h GLU 130 Ca 0.25 -0.05 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 1y63 h GLU 130 Cb 0.12 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 1y63 h GLU 130 CO -0.03 0.51 -0.44 -0.91 -1.00 0.00 0.00 179.01 177.14 1y63 h ASN 131 N 0.80 0.76 -0.76 1.42 2.35 -0.80 -1.08 115.58 118.28 1y63 h ASN 131 Ca 0.29 -0.36 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 1y63 h ASN 131 Cb 0.08 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 1y63 h ASN 131 CO -0.13 1.09 0.42 0.24 -1.65 0.00 0.00 177.43 177.40 1y63 h MET 132 N 0.57 1.05 -0.57 0.81 2.86 -0.80 -1.76 114.93 117.08 1y63 h MET 132 Ca 0.04 -0.12 -0.10 0.00 -2.06 0.00 0.00 59.70 57.46 1y63 h MET 132 Cb 0.99 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.43 1y63 h MET 132 CO 0.09 0.78 -0.03 1.49 1.06 0.00 0.00 176.91 180.30 1y63 h GLU 133 N 1.05 1.04 -0.76 1.72 4.57 -1.09 -1.99 114.58 119.12 1y63 h GLU 133 Ca 0.27 -0.35 -0.00 0.00 -1.18 0.00 0.00 59.36 58.10 1y63 h GLU 133 Cb 0.03 -0.08 -0.04 0.00 -0.16 0.00 0.00 28.75 28.50 1y63 h GLU 133 CO -0.04 1.04 0.47 0.00 -1.18 0.00 0.00 179.01 179.30 1y63 h ALA 134 N 0.96 1.40 -0.25 2.92 0.00 -0.79 -0.24 119.26 123.27 1y63 h ALA 134 Ca 0.16 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1y63 h ALA 134 Cb 0.59 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1y63 h ALA 134 CO 0.04 0.53 -0.19 1.49 0.00 0.00 0.00 179.25 181.12 1y63 h GLU 135 N 1.04 0.56 -0.54 0.00 4.57 -1.14 -1.85 114.58 117.22 1y63 h GLU 135 Ca 0.27 -0.27 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1y63 h GLU 135 Cb -0.07 -0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1y63 h GLU 135 CO -0.05 0.85 0.32 0.82 -1.18 0.00 0.00 179.01 179.77 1y63 h ILE 136 N 0.28 1.16 -0.01 2.32 2.04 -0.91 -2.00 117.51 120.39 1y63 h ILE 136 Ca 0.05 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1y63 h ILE 136 Cb 0.72 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1y63 h ILE 136 CO 0.05 0.16 -0.09 0.00 0.00 0.00 0.00 178.15 178.28 1y63 n GLN 137 N -4.42 1.03 -2.40 2.37 1.13 -0.14 -4.93 117.38 110.01 1y63 n GLN 137 Ca 0.05 -0.44 -0.15 0.00 -1.94 0.00 0.00 57.00 54.52 1y63 n GLN 137 Cb 0.08 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 28.93 1y63 n GLN 137 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1y63 h ILE 139 N -0.23 0.94 -0.24 0.00 1.08 -1.68 -0.82 117.51 116.57 1y63 h ILE 139 Ca -0.36 -0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 1y63 h ILE 139 Cb 1.26 0.93 -0.01 0.00 -3.07 0.00 0.00 36.82 35.93 1y63 h ILE 139 CO 0.41 0.00 0.14 0.00 -0.69 0.00 0.00 178.15 178.02 1y63 h GLU 141 N 0.29 0.46 -0.84 0.00 4.81 -1.90 -1.68 114.58 115.72 1y63 h GLU 141 Ca 0.09 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1y63 h GLU 141 Cb 0.03 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 1y63 h GLU 141 CO -0.02 0.53 0.44 0.93 -0.73 0.00 0.00 179.01 180.16 1y63 h GLU 142 N 0.31 1.19 -0.15 1.92 5.08 -0.97 -0.14 114.58 121.83 1y63 h GLU 142 Ca 0.09 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1y63 h GLU 142 Cb 0.27 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1y63 h GLU 142 CO -0.00 0.89 0.09 1.49 -1.00 0.00 0.00 179.01 180.47 1y63 h GLU 143 N 1.19 0.20 -0.56 2.33 4.81 -1.02 -1.16 114.58 120.37 1y63 h GLU 143 Ca 0.29 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.47 1y63 h GLU 143 Cb 0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1y63 h GLU 143 CO -0.04 0.19 0.23 0.00 -0.73 0.00 0.00 179.01 178.66 1y63 h ALA 144 N 1.00 0.73 0.00 2.92 0.00 -0.92 -2.18 119.26 120.80 1y63 h ALA 144 Ca 0.05 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1y63 h ALA 144 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1y63 h ALA 144 CO -0.01 0.33 -0.32 0.00 0.00 0.00 0.00 179.25 179.25 1y63 h ARG 145 N 0.77 0.00 0.00 0.00 3.08 -0.93 -2.10 114.38 115.19 1y63 h ARG 145 Ca 0.19 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.16 1y63 h ARG 145 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.22 1y63 h ARG 145 CO -0.02 0.32 -0.38 -0.44 -1.07 0.00 0.00 179.97 178.38 1y63 h ASP 146 N 0.00 0.00 0.00 7.04 3.32 -0.86 -3.37 116.42 122.55 1y63 h ASP 146 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1y63 h ASP 146 Cb 0.69 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.24 1y63 h ASP 146 CO 0.04 0.38 -1.73 0.00 -1.72 0.00 0.00 179.24 176.21 1y63 n ALA 147 N -2.23 3.24 -2.30 3.45 0.00 -0.85 -5.00 120.51 116.82 1y63 n ALA 147 Ca 0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 53.44 52.77 1y63 n ALA 147 Cb 0.61 -0.73 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 1y63 n ALA 147 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1y63 s TYR 148 N -3.35 1.46 0.22 0.00 2.02 -0.84 -4.80 117.35 112.06 1y63 s TYR 148 Ca -0.04 -0.87 -0.30 0.00 -0.37 0.00 0.00 57.07 55.49 1y63 s TYR 148 Cb 0.14 -0.81 -0.09 0.00 -0.40 0.00 0.00 41.96 40.80 1y63 s TYR 148 CO 0.88 -0.00 1.26 -1.21 -1.57 0.00 0.00 175.55 174.90 1y63 s GLU 149 N -3.83 4.43 0.43 -0.62 2.02 -1.26 -4.79 118.70 115.09 1y63 s GLU 149 Ca 0.25 2.01 0.11 0.00 0.02 0.00 0.00 54.97 57.36 1y63 s GLU 149 Cb 0.05 -3.19 0.97 0.00 0.10 0.00 0.00 34.13 32.06 1y63 s GLU 149 CO 0.06 -0.15 2.02 -0.44 0.02 0.00 0.00 175.26 176.76 1y63 h ASP 150 N 4.88 0.40 0.72 -0.19 3.32 -1.96 -1.47 116.42 122.13 1y63 h ASP 150 Ca -0.45 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1y63 h ASP 150 Cb 1.22 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1y63 h ASP 150 CO 0.74 0.26 0.00 0.44 -1.72 0.00 0.00 179.24 178.96 1y63 h ASP 151 N 0.46 0.00 -0.08 6.45 3.32 -2.01 -2.40 116.42 122.16 1y63 h ASP 151 Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 1y63 h ASP 151 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 1y63 h ASP 151 CO -0.06 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.76 1y63 n ILE 152 N -2.62 0.08 -3.50 0.35 -5.35 -0.55 -4.93 119.36 102.83 1y63 n ILE 152 Ca 0.01 -0.54 -0.38 0.00 -0.27 0.00 0.00 62.75 61.57 1y63 n ILE 152 Cb 0.23 1.39 -0.09 0.00 -1.74 0.00 0.00 39.64 39.43 1y63 n ILE 152 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 1y63 s VAL 153 N -1.79 5.26 -0.15 7.28 1.01 -0.90 -1.00 120.40 130.11 1y63 s VAL 153 Ca 0.27 0.45 0.01 0.00 0.00 0.00 0.00 61.98 62.71 1y63 s VAL 153 Cb 0.19 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1y63 s VAL 153 CO 0.28 0.27 -0.16 -0.22 0.00 0.00 0.00 175.10 175.27 1y63 s LEU 154 N 1.40 2.45 -0.09 3.92 2.96 0.38 -4.98 118.68 124.71 1y63 s LEU 154 Ca 0.13 -0.47 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 1y63 s LEU 154 Cb -0.15 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 44.97 1y63 s LEU 154 CO 0.07 0.09 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.36 1y63 s VAL 155 N 0.77 2.94 -0.03 1.68 1.01 -1.26 -0.05 120.40 125.45 1y63 s VAL 155 Ca -0.06 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.17 1y63 s VAL 155 Cb -0.15 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1y63 s VAL 155 CO 0.00 0.56 0.07 -0.13 0.00 0.00 0.00 175.10 175.60 1y63 s ARG 156 N -0.17 0.03 0.26 2.72 1.81 -0.10 -4.95 118.95 118.56 1y63 s ARG 156 Ca -0.01 0.21 -0.30 0.00 -1.72 0.00 0.00 55.73 53.91 1y63 s ARG 156 Cb -0.13 -0.14 -0.10 0.00 -0.45 0.00 0.00 34.95 34.13 1y63 s ARG 156 CO 0.03 -0.12 1.36 -2.00 -0.68 0.00 0.00 175.30 173.90 1y63 s GLU 157 N 0.78 4.33 -0.39 3.54 2.56 -1.26 -1.47 118.70 126.79 1y63 s GLU 157 Ca -0.06 2.20 0.11 0.00 0.00 0.00 0.00 54.97 57.22 1y63 s GLU 157 Cb -0.09 -3.12 0.36 0.00 2.00 0.00 0.00 34.13 33.28 1y63 s GLU 157 CO -0.03 -0.30 0.77 -1.71 -0.56 0.00 0.00 175.26 173.43 1y63 n ASN 158 N 1.97 1.32 0.01 -1.70 5.15 0.91 -4.77 115.26 118.15 1y63 n ASN 158 Ca 0.05 -3.08 -0.14 0.00 -0.60 0.00 0.00 54.58 50.81 1y63 n ASN 158 Cb 0.41 -0.61 -0.14 0.00 -0.53 0.00 0.00 39.78 38.92 1y63 n ASN 158 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 1y63 h ASP 159 N 2.99 0.21 -2.77 1.20 3.32 -1.90 -3.44 116.42 116.03 1y63 h ASP 159 Ca 0.09 -0.41 -0.51 0.00 0.02 0.00 0.00 57.03 56.22 1y63 h ASP 159 Cb 0.93 -0.07 -0.14 0.00 0.22 0.00 0.00 39.33 40.27 1y63 h ASP 159 CO 0.54 1.36 -0.69 0.42 -1.72 0.00 0.00 179.24 179.15 1y63 s THR 160 N -2.59 1.82 0.25 0.35 -4.23 -1.26 -5.05 115.64 104.92 1y63 s THR 160 Ca -0.11 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1y63 s THR 160 Cb 0.07 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.56 1y63 s THR 160 CO 0.81 -0.34 1.67 0.25 -0.54 0.00 0.00 174.62 176.47 1y63 h LEU 161 N 2.28 0.57 -0.64 4.79 5.85 -1.99 -1.42 115.31 124.76 1y63 h LEU 161 Ca -0.40 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.14 1y63 h LEU 161 Cb 1.24 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1y63 h LEU 161 CO 0.66 0.83 0.40 -0.08 -0.34 0.00 0.00 178.44 179.92 1y63 h GLU 162 N 0.49 0.78 -0.35 1.25 4.81 -1.99 0.16 114.58 119.73 1y63 h GLU 162 Ca 0.07 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 1y63 h GLU 162 Cb 0.73 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.92 1y63 h GLU 162 CO 0.06 0.51 0.18 1.96 -0.73 0.00 0.00 179.01 180.99 1y63 h GLN 163 N 0.80 0.49 -0.42 1.92 4.20 -1.80 -1.73 115.11 118.57 1y63 h GLN 163 Ca 0.26 -0.06 0.05 0.00 0.06 0.00 0.00 58.65 58.95 1y63 h GLN 163 Cb -0.00 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.64 1y63 h GLN 163 CO -0.09 0.42 0.15 1.98 -0.67 0.00 0.00 178.83 180.61 1y63 h MET 164 N 0.43 0.30 -0.75 1.46 4.05 -0.76 -0.73 114.93 118.94 1y63 h MET 164 Ca 0.12 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1y63 h MET 164 Cb 0.08 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 1y63 h MET 164 CO -0.02 0.20 0.22 0.00 0.23 0.00 0.00 176.91 177.55 1y63 h ALA 165 N 1.27 0.98 -0.47 0.39 0.00 -0.85 -1.05 119.26 119.53 1y63 h ALA 165 Ca 0.19 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1y63 h ALA 165 Cb 0.18 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1y63 h ALA 165 CO -0.20 0.67 -0.10 0.00 0.00 0.00 0.00 179.25 179.62 1y63 h ALA 166 N 1.12 0.93 -0.48 0.00 0.00 -0.93 -1.46 119.26 118.44 1y63 h ALA 166 Ca 0.24 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1y63 h ALA 166 Cb 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1y63 h ALA 166 CO -0.01 0.62 0.22 1.15 0.00 0.00 0.00 179.25 181.24 1y63 h THR 167 N 0.77 1.19 -0.41 0.00 2.02 -0.87 -0.91 112.91 114.70 1y63 h THR 167 Ca 0.13 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 66.73 1y63 h THR 167 Cb 0.61 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1y63 h THR 167 CO 0.04 0.21 0.17 0.58 0.37 0.00 0.00 175.52 176.89 1y63 h VAL 168 N 0.63 1.16 -0.42 3.16 2.07 -0.86 0.52 116.25 122.51 1y63 h VAL 168 Ca 0.16 -0.48 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 1y63 h VAL 168 Cb 0.13 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 1y63 h VAL 168 CO -0.02 0.19 0.03 -0.33 0.02 0.00 0.00 177.57 177.46 1y63 h GLU 169 N 0.58 0.72 -0.70 1.57 5.08 -0.88 0.30 114.58 121.25 1y63 h GLU 169 Ca 0.14 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1y63 h GLU 169 Cb 0.11 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1y63 h GLU 169 CO -0.02 0.78 0.41 1.49 -1.00 0.00 0.00 179.01 180.67 1y63 h GLU 170 N 0.56 0.95 -0.33 2.33 4.57 -0.53 -1.08 114.58 121.05 1y63 h GLU 170 Ca 0.12 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 1y63 h GLU 170 Cb 0.43 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.81 1y63 h GLU 170 CO 0.02 0.69 0.21 0.82 -1.18 0.00 0.00 179.01 179.56 1y63 h ILE 171 N 0.95 1.10 -0.63 2.32 2.04 -0.58 -1.59 117.51 121.12 1y63 h ILE 171 Ca 0.25 -0.22 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1y63 h ILE 171 Cb -0.01 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 1y63 h ILE 171 CO -0.05 0.10 0.30 -0.09 0.00 0.00 0.00 178.15 178.41 1y63 h ARG 172 N 0.43 0.51 -0.43 2.37 2.43 -0.56 0.27 114.38 119.40 1y63 h ARG 172 Ca 0.12 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1y63 h ARG 172 Cb -0.02 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 1y63 h ARG 172 CO -0.02 0.34 0.18 0.93 -1.51 0.00 0.00 179.97 179.88 1y63 h GLU 173 N 0.53 0.64 -0.47 0.20 5.08 -0.91 -1.48 114.58 118.17 1y63 h GLU 173 Ca 0.31 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 1y63 h GLU 173 Cb 0.30 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.43 1y63 h GLU 173 CO -0.25 0.59 -0.03 0.00 -1.00 0.00 0.00 179.01 178.32 1y63 h ARG 174 N 0.55 0.81 -0.54 2.33 3.08 -0.73 -2.80 114.38 117.07 1y63 h ARG 174 Ca 0.14 -0.23 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1y63 h ARG 174 Cb 0.18 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1y63 h ARG 174 CO -0.01 0.83 0.06 0.28 -1.07 0.00 0.00 179.97 180.06 1y63 h VAL 175 N 0.75 1.26 -0.88 2.04 2.07 -0.22 -2.16 116.25 119.11 1y63 h VAL 175 Ca 0.14 -1.01 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 1y63 h VAL 175 Cb 0.50 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 1y63 h VAL 175 CO 0.03 0.36 0.50 -0.08 0.02 0.00 0.00 177.57 178.40 1y63 h GLU 176 N 0.80 1.20 0.22 1.57 4.57 -1.11 0.45 114.58 122.29 1y63 h GLU 176 Ca 0.16 -0.12 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1y63 h GLU 176 Cb 0.45 -0.24 0.00 0.00 -0.16 0.00 0.00 28.75 28.80 1y63 h GLU 176 CO 0.02 0.86 -0.11 0.28 -1.18 0.00 0.00 179.01 178.88 1y63 h VAL 177 N 1.22 0.79 -0.99 0.32 2.07 -1.27 -2.41 116.25 115.98 1y63 h VAL 177 Ca 0.31 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.88 1y63 h VAL 177 Cb -0.01 0.80 -0.07 0.00 -1.52 0.00 0.00 31.29 30.49 1y63 h VAL 177 CO -0.05 0.01 0.64 -0.07 0.02 0.00 0.00 177.57 178.11 1y63 h LEU 178 N -0.31 0.99 0.00 2.57 3.38 -0.71 -3.52 115.31 117.71 1y63 h LEU 178 Ca -0.03 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1y63 h LEU 178 Cb 0.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1y63 h LEU 178 CO 0.05 0.61 0.00 0.29 0.09 0.00 0.00 178.44 179.48