#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xhe s THR 3 N 0.00 2.19 0.01 -0.39 2.01 -1.26 -4.95 115.64 113.25 1xhe s THR 3 Ca 0.00 0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.88 1xhe s THR 3 Cb 0.00 -3.12 -0.06 0.00 0.01 0.00 0.00 72.50 69.33 1xhe s THR 3 CO 0.00 0.04 1.52 -2.84 -0.69 0.00 0.00 174.62 172.65 1xhe s PRO 4 N -1.84 4.24 -0.25 4.92 0.02 -1.26 -4.87 135.00 135.95 1xhe s PRO 4 Ca 0.53 2.11 -0.12 0.00 0.02 0.00 0.00 61.00 63.54 1xhe s PRO 4 Cb -0.45 -3.65 -0.05 0.00 0.02 0.00 0.00 34.50 30.37 1xhe s PRO 4 CO 0.59 -0.67 0.22 -1.01 -0.33 0.00 0.00 177.00 175.80 1xhe s HIS 5 N 2.76 3.28 -0.19 6.54 3.76 -1.26 -1.39 115.29 128.79 1xhe s HIS 5 Ca 0.68 0.26 -0.05 0.00 -0.15 0.00 0.00 55.06 55.80 1xhe s HIS 5 Cb -0.34 -2.37 -0.03 0.00 1.11 0.00 0.00 32.58 30.96 1xhe s HIS 5 CO 0.28 -0.05 -0.01 0.42 -0.85 0.00 0.00 174.74 174.53 1xhe s ILE 6 N 1.43 3.96 -0.29 0.60 -1.09 -0.23 -0.67 121.20 124.91 1xhe s ILE 6 Ca 0.10 -0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 58.07 1xhe s ILE 6 Cb -0.15 -2.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.92 1xhe s ILE 6 CO 0.08 0.45 0.25 -0.22 -1.23 0.00 0.00 174.94 174.26 1xhe s LEU 7 N 0.77 4.08 -0.27 2.97 2.96 0.60 0.26 118.68 130.05 1xhe s LEU 7 Ca -0.00 0.02 -0.12 0.00 -0.22 0.00 0.00 54.13 53.81 1xhe s LEU 7 Cb -0.14 -2.21 -0.05 0.00 0.50 0.00 0.00 46.19 44.29 1xhe s LEU 7 CO 0.02 -0.11 0.22 -0.63 -1.32 0.00 0.00 176.35 174.53 1xhe s ILE 8 N 1.85 5.29 -0.51 6.68 1.01 0.17 -0.55 121.20 135.14 1xhe s ILE 8 Ca 0.09 0.25 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 1xhe s ILE 8 Cb -0.16 -3.56 0.13 0.00 0.01 0.00 0.00 42.46 38.88 1xhe s ILE 8 CO 0.11 0.25 0.38 -0.69 0.00 0.00 0.00 174.94 174.99 1xhe s VAL 9 N 1.68 4.28 -0.25 2.92 1.01 0.10 -0.97 120.40 129.17 1xhe s VAL 9 Ca 0.09 -1.92 -0.10 0.00 0.00 0.00 0.00 61.98 60.05 1xhe s VAL 9 Cb -0.15 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.52 1xhe s VAL 9 CO 0.10 -0.80 0.57 -0.70 0.00 0.00 0.00 175.10 174.26 1xhe s GLU 10 N 1.18 0.52 0.29 2.72 2.56 -0.17 -1.63 118.70 124.17 1xhe s GLU 10 Ca 0.07 1.21 0.23 0.00 0.00 0.00 0.00 54.97 56.48 1xhe s GLU 10 Cb -0.25 0.46 0.15 0.00 2.00 0.00 0.00 34.13 36.49 1xhe s GLU 10 CO -0.01 -0.20 1.28 0.38 -0.56 0.00 0.00 175.26 176.15 1xhe h ASP 11 N 7.71 0.00 -3.27 -1.70 2.03 -1.80 -3.41 116.42 115.98 1xhe h ASP 11 Ca -0.22 -0.01 -0.57 0.00 -0.73 0.00 0.00 57.03 55.50 1xhe h ASP 11 Cb 1.14 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 39.59 1xhe h ASP 11 CO 0.14 0.00 1.02 -1.61 -1.03 0.00 0.00 179.24 177.76 1xhe s GLU 12 N -3.30 3.72 0.22 4.15 2.02 -1.26 -4.89 118.70 119.37 1xhe s GLU 12 Ca 0.03 1.02 -0.08 0.00 0.02 0.00 0.00 54.97 55.96 1xhe s GLU 12 Cb 0.08 -3.95 0.19 0.00 0.10 0.00 0.00 34.13 30.55 1xhe s GLU 12 CO 0.74 -1.37 1.85 1.25 0.02 0.00 0.00 175.26 177.75 1xhe h LEU 13 N 11.57 1.07 0.30 1.80 5.85 -1.98 0.14 115.31 134.07 1xhe h LEU 13 Ca -0.26 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1xhe h LEU 13 Cb 1.10 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.86 1xhe h LEU 13 CO 1.07 0.86 -0.15 0.58 -0.34 0.00 0.00 178.44 180.47 1xhe h VAL 14 N 1.20 0.66 -0.65 1.05 2.07 -1.98 -0.71 116.25 117.89 1xhe h VAL 14 Ca 0.30 -0.69 0.14 0.00 0.82 0.00 0.00 66.70 67.28 1xhe h VAL 14 Cb 0.02 0.99 -0.11 0.00 -1.52 0.00 0.00 31.29 30.67 1xhe h VAL 14 CO -0.05 0.12 0.02 0.74 0.02 0.00 0.00 177.57 178.42 1xhe h THR 15 N -0.82 0.47 -0.24 2.57 2.02 -1.95 0.04 112.91 115.00 1xhe h THR 15 Ca -0.04 -0.04 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 1xhe h THR 15 Cb 0.52 0.32 -0.01 0.00 -1.74 0.00 0.00 68.15 67.24 1xhe h THR 15 CO 0.07 0.02 -0.14 -0.09 0.37 0.00 0.00 175.52 175.75 1xhe h ARG 16 N 0.13 0.40 -0.19 6.66 2.43 -0.61 -1.72 114.38 121.48 1xhe h ARG 16 Ca 0.35 -0.11 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 1xhe h ARG 16 Cb 0.58 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1xhe h ARG 16 CO -0.55 0.55 -0.11 -0.91 -1.51 0.00 0.00 179.97 177.44 1xhe h ASN 17 N 0.37 0.42 0.01 -3.80 2.35 0.30 -0.78 115.58 114.45 1xhe h ASN 17 Ca 0.07 -0.42 0.01 0.00 -0.55 0.00 0.00 56.30 55.41 1xhe h ASN 17 Cb 0.48 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 38.71 1xhe h ASN 17 CO 0.03 0.75 -0.26 0.74 -1.65 0.00 0.00 177.43 177.04 1xhe h THR 18 N 0.09 0.00 -1.07 2.81 2.02 -0.79 -0.08 112.91 115.89 1xhe h THR 18 Ca 0.04 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.51 1xhe h THR 18 Cb 0.60 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.91 1xhe h THR 18 CO 0.03 0.00 0.69 -0.07 0.37 0.00 0.00 175.52 176.54 1xhe h LEU 19 N -0.33 0.43 -0.50 2.58 3.38 -1.33 0.54 115.31 120.09 1xhe h LEU 19 Ca 0.00 0.10 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1xhe h LEU 19 Cb 0.36 0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1xhe h LEU 19 CO -0.17 0.05 -0.71 0.50 0.09 0.00 0.00 178.44 178.20 1xhe h LYS 20 N 0.36 0.00 0.03 1.13 3.64 -0.63 -1.83 116.57 119.28 1xhe h LYS 20 Ca 0.63 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.96 1xhe h LYS 20 Cb 1.63 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.46 1xhe h LYS 20 CO -0.33 0.71 -0.23 0.66 -2.27 0.00 0.00 179.45 177.99 1xhe h SER 21 N 0.00 0.14 -0.99 4.20 4.64 0.19 -2.07 113.55 119.67 1xhe h SER 21 Ca -0.01 -0.95 0.35 0.00 -0.47 0.00 0.00 61.79 60.71 1xhe h SER 21 Cb 1.31 -0.04 -0.17 0.00 -0.31 0.00 0.00 62.40 63.18 1xhe h SER 21 CO 0.09 1.08 0.45 0.40 -0.87 0.00 0.00 176.83 177.99 1xhe h ILE 22 N -0.78 0.12 0.00 0.95 2.04 -1.09 0.24 117.51 118.99 1xhe h ILE 22 Ca -0.04 -0.04 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1xhe h ILE 22 Cb 1.15 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1xhe h ILE 22 CO 0.04 0.02 -0.67 -0.26 0.00 0.00 0.00 178.15 177.29 1xhe h PHE 23 N 0.12 0.00 0.17 1.37 0.04 -1.27 -3.30 116.94 114.07 1xhe h PHE 23 Ca 0.75 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 61.22 1xhe h PHE 23 Cb 1.83 0.00 0.02 0.00 2.20 0.00 0.00 35.95 40.01 1xhe h PHE 23 CO -0.10 0.00 -1.31 0.93 -0.60 0.00 0.00 178.31 177.23 1xhe h GLU 24 N 0.00 0.46 0.00 1.51 5.08 0.09 -2.75 114.58 118.97 1xhe h GLU 24 Ca 0.00 -0.71 0.00 0.00 -1.00 0.00 0.00 59.36 57.65 1xhe h GLU 24 Cb 0.86 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1xhe h GLU 24 CO 0.00 1.33 0.00 0.00 -1.00 0.00 0.00 179.01 179.34 1xhe n ALA 25 N -2.63 1.61 -0.40 3.43 0.00 0.22 -0.39 120.51 122.35 1xhe n ALA 25 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 1xhe n ALA 25 Cb 1.03 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.48 1xhe n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1xhe n GLU 26 N -0.55 0.59 -1.50 0.00 -0.58 -1.10 -5.00 120.64 112.50 1xhe n GLU 26 Ca 0.00 -0.69 -0.06 0.00 -0.42 0.00 0.00 57.16 55.99 1xhe n GLU 26 Cb 0.00 -0.80 -0.02 0.00 -0.57 0.00 0.00 31.44 30.06 1xhe n GLU 26 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xhe n GLY 27 N -0.15 0.59 3.88 0.62 0.00 0.48 -5.02 105.19 105.59 1xhe n GLY 27 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 44.98 1xhe n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xhe s TYR 28 N -2.25 3.44 -0.34 1.61 2.02 -1.06 -4.79 117.35 115.99 1xhe s TYR 28 Ca 0.00 0.91 -0.28 0.00 -0.37 0.00 0.00 57.07 57.33 1xhe s TYR 28 Cb 0.00 -2.31 0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1xhe s TYR 28 CO 0.00 0.12 1.03 -0.51 -1.57 0.00 0.00 175.55 174.62 1xhe s ASP 29 N -2.76 6.85 -0.24 2.29 1.01 -0.49 -4.57 116.67 118.77 1xhe s ASP 29 Ca 0.49 0.90 -0.12 0.00 0.71 0.00 0.00 52.55 54.53 1xhe s ASP 29 Cb -0.11 -2.52 -0.05 0.00 1.01 0.00 0.00 42.92 41.26 1xhe s ASP 29 CO 0.25 -0.87 0.23 -0.69 0.21 0.00 0.00 175.17 174.30 1xhe s VAL 30 N 3.61 5.31 0.20 -1.27 1.01 -1.26 -1.07 120.40 126.92 1xhe s VAL 30 Ca 0.43 0.32 0.06 0.00 0.00 0.00 0.00 61.98 62.78 1xhe s VAL 30 Cb -0.12 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.66 1xhe s VAL 30 CO 0.17 0.30 0.18 -0.36 0.00 0.00 0.00 175.10 175.38 1xhe s PHE 31 N 1.28 3.18 -0.03 5.22 0.40 0.14 -4.98 117.98 123.18 1xhe s PHE 31 Ca 0.10 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 1xhe s PHE 31 Cb -0.14 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 41.91 1xhe s PHE 31 CO 0.06 0.52 -0.07 -1.21 0.70 0.00 0.00 175.22 175.22 1xhe s GLU 32 N -3.40 0.93 0.10 0.44 2.02 -1.26 -0.66 118.70 116.87 1xhe s GLU 32 Ca 0.32 -0.23 -0.06 0.00 0.02 0.00 0.00 54.97 55.01 1xhe s GLU 32 Cb -0.09 -0.87 -0.01 0.00 0.10 0.00 0.00 34.13 33.25 1xhe s GLU 32 CO 0.25 0.04 0.15 0.00 0.02 0.00 0.00 175.26 175.71 1xhe s ALA 33 N 0.45 0.07 0.00 5.21 0.00 -0.14 -4.94 121.76 122.41 1xhe s ALA 33 Ca -0.07 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.02 1xhe s ALA 33 Cb -0.11 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.56 1xhe s ALA 33 CO 0.01 -0.50 0.00 -2.37 0.00 0.00 0.00 175.76 172.89 1xhe n THR 34 N -0.06 0.00 -3.85 0.00 5.66 -1.26 -1.00 114.28 113.77 1xhe n THR 34 Ca -0.13 -0.12 -0.06 0.00 -3.05 0.00 0.00 64.05 60.69 1xhe n THR 34 Cb 0.62 0.60 0.02 0.00 -1.55 0.00 0.00 70.33 70.02 1xhe n THR 34 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1xhe s ASP 35 N -1.57 0.00 0.23 1.09 1.47 -1.26 -4.16 116.67 112.48 1xhe s ASP 35 Ca 0.00 -0.90 -0.07 0.00 1.18 0.00 0.00 52.55 52.76 1xhe s ASP 35 Cb 0.00 0.67 0.21 0.00 -0.34 0.00 0.00 42.92 43.46 1xhe s ASP 35 CO 0.00 -1.33 1.88 1.23 0.68 0.00 0.00 175.17 177.63 1xhe h GLY 36 N 2.00 1.31 0.98 2.12 0.00 -1.86 -0.79 103.07 106.83 1xhe h GLY 36 Ca -0.30 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.48 1xhe h GLY 36 CO 0.38 0.53 -0.08 0.00 0.00 0.00 0.00 176.54 177.37 1xhe h ALA 37 N 1.30 -0.22 -0.72 3.60 0.00 -1.97 0.44 119.26 121.70 1xhe h ALA 37 Ca 0.33 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 1xhe h ALA 37 Cb -0.06 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1xhe h ALA 37 CO -0.06 -0.61 0.27 0.93 0.00 0.00 0.00 179.25 179.77 1xhe h GLU 38 N -0.25 1.08 0.05 0.00 5.08 -1.95 -2.21 114.58 116.39 1xhe h GLU 38 Ca -0.02 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.15 1xhe h GLU 38 Cb 0.19 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 1xhe h GLU 38 CO 0.04 0.89 -0.10 1.98 -1.00 0.00 0.00 179.01 180.81 1xhe h MET 39 N 1.05 -0.20 -0.53 2.33 4.05 -0.80 -1.64 114.93 119.19 1xhe h MET 39 Ca 0.24 0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.69 1xhe h MET 39 Cb 0.23 0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1xhe h MET 39 CO -0.02 -0.13 0.35 0.45 0.23 0.00 0.00 176.91 177.79 1xhe h HIS 40 N -0.21 0.64 0.08 1.39 3.86 -0.67 -1.51 115.15 118.74 1xhe h HIS 40 Ca 0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.24 1xhe h HIS 40 Cb 0.23 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.48 1xhe h HIS 40 CO -0.14 0.39 -0.04 1.96 0.86 0.00 0.00 177.93 180.96 1xhe h GLN 41 N 0.68 -0.11 -0.07 2.45 4.20 -0.93 -2.09 115.11 119.25 1xhe h GLN 41 Ca 0.20 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.91 1xhe h GLN 41 Cb -0.02 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 1xhe h GLN 41 CO -0.05 0.16 -0.00 0.82 -0.67 0.00 0.00 178.83 179.09 1xhe h ILE 42 N -0.37 1.05 0.00 2.54 2.04 -0.95 0.14 117.51 121.96 1xhe h ILE 42 Ca -0.01 -0.19 -0.08 0.00 1.00 0.00 0.00 64.86 65.58 1xhe h ILE 42 Cb 0.32 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1xhe h ILE 42 CO 0.02 0.06 -0.38 -0.07 0.00 0.00 0.00 178.15 177.78 1xhe h LEU 43 N 0.10 0.00 0.04 1.44 3.38 -1.08 -1.13 115.31 118.05 1xhe h LEU 43 Ca 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1xhe h LEU 43 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1xhe h LEU 43 CO 0.00 0.38 -0.02 0.28 0.09 0.00 0.00 178.44 179.17 1xhe h SER 44 N 0.00 -0.04 0.38 -0.43 0.02 -0.53 -3.41 113.55 109.54 1xhe h SER 44 Ca -0.00 -0.65 -0.02 0.00 -0.84 0.00 0.00 61.79 60.28 1xhe h SER 44 Cb 0.89 0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1xhe h SER 44 CO 0.05 0.72 -0.18 -0.33 -1.14 0.00 0.00 176.83 175.95 1xhe h GLU 45 N -0.89 -0.49 0.00 3.45 3.07 -0.77 -3.47 114.58 115.48 1xhe h GLU 45 Ca -0.00 0.03 -0.20 0.00 -0.50 0.00 0.00 59.36 58.69 1xhe h GLU 45 Cb 0.69 0.11 0.02 0.00 -0.84 0.00 0.00 28.75 28.73 1xhe h GLU 45 CO 0.01 -0.33 -0.00 0.66 -1.40 0.00 0.00 179.01 177.95 1xhe n TYR 46 N -3.47 -2.86 -3.78 4.33 4.02 -0.43 -5.08 117.16 109.89 1xhe n TYR 46 Ca -0.06 -0.85 -0.37 0.00 -0.01 0.00 0.00 57.90 56.61 1xhe n TYR 46 Cb 0.20 -0.26 -0.13 0.00 -0.02 0.00 0.00 39.34 39.13 1xhe n TYR 46 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1xhe s ASP 47 N -2.59 5.06 -0.18 7.72 2.15 -1.26 -4.69 116.67 122.88 1xhe s ASP 47 Ca 0.27 -0.81 -0.03 0.00 0.43 0.00 0.00 52.55 52.41 1xhe s ASP 47 Cb -0.02 -1.85 -0.02 0.00 -0.30 0.00 0.00 42.92 40.73 1xhe s ASP 47 CO 0.17 -0.21 -0.07 -0.63 -0.17 0.00 0.00 175.17 174.27 1xhe s ILE 48 N 1.46 3.41 -0.09 4.11 -1.09 -1.26 -4.54 121.20 123.20 1xhe s ILE 48 Ca 0.01 -0.51 0.06 0.00 -2.23 0.00 0.00 60.65 57.98 1xhe s ILE 48 Cb -0.18 -2.50 -0.24 0.00 -1.58 0.00 0.00 42.46 37.96 1xhe s ILE 48 CO 0.02 0.47 0.49 0.59 -1.23 0.00 0.00 174.94 175.28 1xhe n ASN 49 N 4.07 1.30 -3.72 3.58 4.13 0.15 -4.89 115.26 119.87 1xhe n ASN 49 Ca -0.18 0.30 -0.16 0.00 1.68 0.00 0.00 54.58 56.22 1xhe n ASN 49 Cb 0.52 -0.29 -0.16 0.00 -1.54 0.00 0.00 39.78 38.31 1xhe n ASN 49 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1xhe s LEU 50 N -6.40 0.54 -0.21 3.41 2.96 -0.99 -3.17 118.68 114.82 1xhe s LEU 50 Ca -0.12 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 53.90 1xhe s LEU 50 Cb 0.07 0.12 -0.04 0.00 0.50 0.00 0.00 46.19 46.84 1xhe s LEU 50 CO 0.80 -0.18 0.07 -0.69 -1.32 0.00 0.00 176.35 175.03 1xhe s VAL 51 N 1.58 4.63 -0.18 1.68 1.01 -0.03 -0.29 120.40 128.79 1xhe s VAL 51 Ca -0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 61.98 61.83 1xhe s VAL 51 Cb -0.12 -3.12 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 1xhe s VAL 51 CO -0.04 0.40 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1xhe s ILE 52 N 0.91 3.44 -0.03 2.22 1.01 0.28 -0.47 121.20 128.58 1xhe s ILE 52 Ca 0.04 -0.49 0.01 0.00 0.00 0.00 0.00 60.65 60.20 1xhe s ILE 52 Cb -0.14 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.83 1xhe s ILE 52 CO 0.03 0.46 -0.01 -0.32 0.00 0.00 0.00 174.94 175.10 1xhe s MET 53 N 0.93 0.37 0.43 2.79 -2.45 -0.40 0.03 119.30 121.00 1xhe s MET 53 Ca -0.01 0.01 -0.17 0.00 -1.25 0.00 0.00 55.69 54.27 1xhe s MET 53 Cb -0.15 -0.50 -0.09 0.00 1.25 0.00 0.00 34.83 35.35 1xhe s MET 53 CO 0.01 -0.09 0.89 0.34 1.05 0.00 0.00 175.02 177.22 1xhe s ASP 54 N 0.81 6.77 0.02 1.11 -1.08 -0.65 -0.31 116.67 123.34 1xhe s ASP 54 Ca -0.09 1.51 -0.17 0.00 -0.52 0.00 0.00 52.55 53.28 1xhe s ASP 54 Cb -0.12 -2.47 -0.32 0.00 -1.46 0.00 0.00 42.92 38.55 1xhe s ASP 54 CO -0.01 -0.40 1.02 0.40 0.52 0.00 0.00 175.17 176.70 1xhe h ILE 55 N 1.54 1.35 -3.26 4.11 2.04 -1.89 -3.31 117.51 118.09 1xhe h ILE 55 Ca -0.48 -2.53 -0.67 0.00 1.00 0.00 0.00 64.86 62.17 1xhe h ILE 55 Cb 1.18 2.93 -0.17 0.00 -0.74 0.00 0.00 36.82 40.02 1xhe h ILE 55 CO 0.62 0.75 0.11 0.20 0.00 0.00 0.00 178.15 179.83 1xhe s ASN 56 N -7.33 6.24 0.51 1.72 0.01 -1.26 0.87 114.94 115.71 1xhe s ASN 56 Ca -0.11 -0.83 0.02 0.00 -0.71 0.00 0.00 52.86 51.23 1xhe s ASN 56 Cb 0.04 -2.31 -0.01 0.00 0.41 0.00 0.00 41.25 39.38 1xhe s ASN 56 CO 0.91 -0.92 0.04 -0.76 -1.51 0.00 0.00 177.10 174.86 1xhe s LEU 57 N 2.78 2.34 0.04 0.60 1.43 -1.26 -4.81 118.68 119.80 1xhe s LEU 57 Ca 0.17 -1.61 -0.30 0.00 -1.03 0.00 0.00 54.13 51.35 1xhe s LEU 57 Cb -0.18 -0.78 -0.05 0.00 0.03 0.00 0.00 46.19 45.21 1xhe s LEU 57 CO 0.13 -0.88 1.12 -2.84 0.23 0.00 0.00 176.35 174.12 1xhe s PRO 58 N -3.92 4.48 1.66 1.29 0.02 -1.26 -4.70 135.00 132.58 1xhe s PRO 58 Ca 0.09 1.65 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1xhe s PRO 58 Cb 0.01 -3.38 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1xhe s PRO 58 CO 0.05 -0.18 0.00 0.41 -0.33 0.00 0.00 177.00 176.95 1xhe n GLY 59 N 3.07 0.79 3.72 0.52 0.00 -1.26 -4.66 105.19 107.37 1xhe n GLY 59 Ca 0.08 -1.33 -0.42 0.00 0.00 0.00 0.00 46.02 44.34 1xhe n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xhe s LYS 60 N 0.00 4.19 0.68 1.61 1.02 -1.26 -4.98 119.74 121.01 1xhe s LYS 60 Ca 0.00 2.42 -0.17 0.00 0.02 0.00 0.00 55.97 58.25 1xhe s LYS 60 Cb 0.00 -3.13 0.01 0.00 -0.52 0.00 0.00 37.83 34.19 1xhe s LYS 60 CO 0.00 -0.64 1.27 0.54 -0.92 0.00 0.00 175.35 175.59 1xhe s ASN 61 N 1.15 4.39 0.44 2.83 2.20 -1.26 -4.49 114.94 120.19 1xhe s ASN 61 Ca 0.71 2.54 0.20 0.00 -0.94 0.00 0.00 52.86 55.37 1xhe s ASN 61 Cb -0.45 -2.61 1.16 0.00 -2.00 0.00 0.00 41.25 37.35 1xhe s ASN 61 CO 0.31 -2.14 1.85 1.23 -2.94 0.00 0.00 177.10 175.41 1xhe h GLY 62 N 0.20 0.75 0.97 0.45 0.00 0.40 -1.60 103.07 104.24 1xhe h GLY 62 Ca -0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.67 1xhe h GLY 62 CO 0.51 -0.02 0.24 1.41 0.00 0.00 0.00 176.54 178.69 1xhe h LEU 63 N 0.33 0.58 -0.18 3.11 3.38 -1.85 0.21 115.31 120.89 1xhe h LEU 63 Ca 0.48 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.32 1xhe h LEU 63 Cb 1.31 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1xhe h LEU 63 CO -0.16 0.51 0.02 0.25 0.09 0.00 0.00 178.44 179.16 1xhe h LEU 64 N 0.60 0.29 -0.68 1.67 6.46 -1.72 0.14 115.31 122.07 1xhe h LEU 64 Ca 0.16 -0.27 0.08 0.00 -0.12 0.00 0.00 57.88 57.73 1xhe h LEU 64 Cb 0.07 -0.08 -0.06 0.00 -0.73 0.00 0.00 40.66 39.86 1xhe h LEU 64 CO -0.02 0.48 0.35 -0.07 -0.62 0.00 0.00 178.44 178.56 1xhe h LEU 65 N 0.08 0.49 -0.26 2.25 4.07 -1.18 0.29 115.31 121.05 1xhe h LEU 65 Ca 0.05 0.05 -0.03 0.00 0.08 0.00 0.00 57.88 58.03 1xhe h LEU 65 Cb 0.32 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.01 1xhe h LEU 65 CO 0.00 0.30 0.03 0.00 -1.08 0.00 0.00 178.44 177.69 1xhe h ALA 66 N 1.39 0.35 -0.40 1.53 0.00 -0.74 0.76 119.26 122.14 1xhe h ALA 66 Ca 0.32 -0.20 0.08 0.00 0.00 0.00 0.00 54.91 55.11 1xhe h ALA 66 Cb 0.28 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 1xhe h ALA 66 CO -0.23 0.05 -0.04 -0.09 0.00 0.00 0.00 179.25 178.95 1xhe h ARG 67 N 0.24 0.06 -0.01 0.00 2.43 0.07 0.18 114.38 117.35 1xhe h ARG 67 Ca 0.08 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1xhe h ARG 67 Cb 0.36 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1xhe h ARG 67 CO 0.01 0.04 0.00 0.93 -1.51 0.00 0.00 179.97 179.44 1xhe h GLU 68 N 0.07 0.02 -0.68 0.20 5.08 -0.83 -2.90 114.58 115.53 1xhe h GLU 68 Ca 0.20 -0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.69 1xhe h GLU 68 Cb 0.29 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.44 1xhe h GLU 68 CO -0.36 0.28 0.18 1.25 -1.00 0.00 0.00 179.01 179.35 1xhe h LEU 69 N -0.24 0.05 -2.81 1.33 5.85 -0.49 -0.33 115.31 118.66 1xhe h LEU 69 Ca 0.00 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.85 1xhe h LEU 69 Cb 0.27 0.16 -0.00 0.00 0.37 0.00 0.00 40.66 41.46 1xhe h LEU 69 CO 0.00 0.01 -0.00 0.03 -0.34 0.00 0.00 178.44 178.14 1xhe h ARG 70 N 0.30 0.00 0.00 1.25 2.47 -0.44 -0.40 114.38 117.55 1xhe h ARG 70 Ca 0.37 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.96 1xhe h ARG 70 Cb 0.59 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.89 1xhe h ARG 70 CO -0.45 0.00 -0.61 0.93 0.56 0.00 0.00 179.97 180.40 1xhe h GLU 71 N 0.00 0.00 0.01 0.04 5.08 -0.93 -3.35 114.58 115.43 1xhe h GLU 71 Ca -0.00 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.02 1xhe h GLU 71 Cb 0.06 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.25 1xhe h GLU 71 CO 0.00 0.61 -2.11 1.04 -1.00 0.00 0.00 179.01 177.55 1xhe n GLN 72 N -3.49 0.67 -3.59 2.33 1.13 -0.31 -5.06 117.38 109.06 1xhe n GLN 72 Ca 0.00 0.13 -0.13 0.00 -1.94 0.00 0.00 57.00 55.06 1xhe n GLN 72 Cb 0.69 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.35 1xhe n GLN 72 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1xhe s ALA 73 N -2.54 -1.21 -0.19 -1.58 0.00 -0.32 -5.06 121.76 110.87 1xhe s ALA 73 Ca -0.10 0.42 0.16 0.00 0.00 0.00 0.00 51.96 52.44 1xhe s ALA 73 Cb 0.07 0.46 0.57 0.00 0.00 0.00 0.00 23.12 24.22 1xhe s ALA 73 CO 0.81 -0.53 1.47 0.27 0.00 0.00 0.00 175.76 177.78 1xhe n ASN 74 N 0.27 4.15 -4.55 0.00 2.04 -1.26 -4.15 115.26 111.75 1xhe n ASN 74 Ca -0.18 -3.02 -0.38 0.00 -0.44 0.00 0.00 54.58 50.56 1xhe n ASN 74 Cb 0.61 -0.57 0.04 0.00 -2.53 0.00 0.00 39.78 37.33 1xhe n ASN 74 CO 0.00 0.00 0.00 0.55 -0.44 0.00 0.00 177.26 177.37 1xhe n VAL 75 N -0.36 2.92 -1.73 3.53 3.14 -1.26 -4.87 118.33 119.71 1xhe n VAL 75 Ca 0.22 -0.50 -0.42 0.00 -2.96 0.00 0.00 64.34 60.68 1xhe n VAL 75 Cb 0.94 -0.94 -0.02 0.00 -1.06 0.00 0.00 33.84 32.76 1xhe n VAL 75 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1xhe n ALA 76 N -1.54 2.62 -3.65 1.55 0.00 -1.19 -4.89 120.51 113.41 1xhe n ALA 76 Ca 0.12 0.39 -0.19 0.00 0.00 0.00 0.00 53.44 53.76 1xhe n ALA 76 Cb 0.46 -2.49 -0.16 0.00 0.00 0.00 0.00 19.45 17.26 1xhe n ALA 76 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1xhe s LEU 77 N 0.39 1.28 -0.03 0.00 2.96 -1.26 -0.85 118.68 121.17 1xhe s LEU 77 Ca 0.70 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 54.55 1xhe s LEU 77 Cb -0.51 -0.39 -0.00 0.00 0.50 0.00 0.00 46.19 45.79 1xhe s LEU 77 CO 0.40 -0.07 -0.14 -0.04 -1.32 0.00 0.00 176.35 175.18 1xhe s MET 78 N 0.96 1.32 0.10 1.98 -1.94 0.39 -0.67 119.30 121.43 1xhe s MET 78 Ca -0.11 -0.49 -0.12 0.00 -1.71 0.00 0.00 55.69 53.26 1xhe s MET 78 Cb -0.14 -1.21 -0.06 0.00 2.01 0.00 0.00 34.83 35.43 1xhe s MET 78 CO -0.00 0.23 0.47 -0.06 -0.01 0.00 0.00 175.02 175.65 1xhe s PHE 79 N -0.06 3.60 0.14 -0.03 0.08 -0.62 -1.27 117.98 119.81 1xhe s PHE 79 Ca 0.00 0.92 0.03 0.00 0.12 0.00 0.00 56.93 58.01 1xhe s PHE 79 Cb -0.08 -2.26 -0.04 0.00 -0.57 0.00 0.00 43.02 40.07 1xhe s PHE 79 CO 0.01 0.49 0.20 -0.51 -0.10 0.00 0.00 175.22 175.30 1xhe s LEU 80 N -1.87 4.08 -0.15 -0.37 2.01 0.58 0.22 118.68 123.19 1xhe s LEU 80 Ca 0.34 0.05 -0.19 0.00 0.01 0.00 0.00 54.13 54.34 1xhe s LEU 80 Cb -0.15 -2.68 0.05 0.00 0.01 0.00 0.00 46.19 43.42 1xhe s LEU 80 CO 0.18 0.08 0.51 0.28 1.01 0.00 0.00 176.35 178.42 1xhe s THR 81 N -1.69 0.01 -2.12 5.49 -1.32 -0.53 -3.07 115.64 112.41 1xhe s THR 81 Ca 0.33 -0.07 0.26 0.00 -1.21 0.00 0.00 61.69 61.00 1xhe s THR 81 Cb -0.11 -0.75 0.68 0.00 -1.51 0.00 0.00 72.50 70.81 1xhe s THR 81 CO 0.26 -0.04 1.91 0.61 -2.21 0.00 0.00 174.62 175.15 1xhe n GLY 82 N 2.32 -0.68 3.19 6.08 0.00 -1.26 -1.78 105.19 113.06 1xhe n GLY 82 Ca -0.15 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.50 1xhe n GLY 82 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1xhe s ARG 83 N -1.97 0.35 0.24 1.61 3.03 -1.26 -4.74 118.95 116.20 1xhe s ARG 83 Ca 0.38 0.45 -0.31 0.00 2.03 0.00 0.00 55.73 58.28 1xhe s ARG 83 Cb 0.18 0.15 -0.11 0.00 -1.03 0.00 0.00 34.95 34.14 1xhe s ARG 83 CO 0.30 -0.05 1.64 -0.51 -1.13 0.00 0.00 175.30 175.55 1xhe s ASP 84 N 0.27 6.41 -0.30 -2.89 1.01 -1.26 -4.92 116.67 115.00 1xhe s ASP 84 Ca -0.01 2.87 -0.06 0.00 0.71 0.00 0.00 52.55 56.06 1xhe s ASP 84 Cb -0.03 -2.61 0.19 0.00 1.01 0.00 0.00 42.92 41.47 1xhe s ASP 84 CO -0.01 -0.92 0.82 0.21 0.21 0.00 0.00 175.17 175.48 1xhe s ASN 85 N 0.87 -0.96 0.25 0.27 2.47 -1.26 -5.09 114.94 111.50 1xhe s ASN 85 Ca 0.69 0.45 -0.04 0.00 0.42 0.00 0.00 52.86 54.39 1xhe s ASN 85 Cb -0.48 1.75 0.36 0.00 -1.45 0.00 0.00 41.25 41.43 1xhe s ASN 85 CO 0.39 -0.18 1.88 -0.08 -3.72 0.00 0.00 177.10 175.38 1xhe h GLU 86 N 7.91 1.09 -0.20 0.43 4.57 -1.99 -1.87 114.58 124.52 1xhe h GLU 86 Ca -0.15 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 57.91 1xhe h GLU 86 Cb 1.17 -0.25 -0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1xhe h GLU 86 CO 0.07 0.72 -0.11 0.28 -1.18 0.00 0.00 179.01 178.79 1xhe h VAL 87 N 1.12 1.31 -0.59 0.32 2.07 -1.99 -1.40 116.25 117.09 1xhe h VAL 87 Ca 0.41 -1.18 -0.06 0.00 0.82 0.00 0.00 66.70 66.68 1xhe h VAL 87 Cb 0.14 1.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 1xhe h VAL 87 CO -0.16 0.36 0.14 0.44 0.02 0.00 0.00 177.57 178.36 1xhe h ASP 88 N 0.11 0.86 0.01 0.57 5.19 -1.93 -0.37 116.42 120.86 1xhe h ASP 88 Ca 0.04 -0.17 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 1xhe h ASP 88 Cb 0.60 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.89 1xhe h ASP 88 CO 0.03 0.84 -0.00 0.50 -3.12 0.00 0.00 179.24 177.49 1xhe h LYS 89 N 0.88 -0.01 -0.34 3.56 1.63 -1.24 -0.07 116.57 120.98 1xhe h LYS 89 Ca 0.19 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.89 1xhe h LYS 89 Cb 0.32 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.94 1xhe h LYS 89 CO 0.00 0.11 -0.22 0.82 -3.45 0.00 0.00 179.45 176.71 1xhe h ILE 90 N -0.12 1.27 -0.38 2.00 5.03 -1.02 -1.67 117.51 122.63 1xhe h ILE 90 Ca -0.00 -1.28 -0.02 0.00 -0.12 0.00 0.00 64.86 63.44 1xhe h ILE 90 Cb 0.12 1.24 -0.02 0.00 -3.03 0.00 0.00 36.82 35.13 1xhe h ILE 90 CO 0.00 0.42 0.15 -0.07 -0.68 0.00 0.00 178.15 177.98 1xhe h LEU 91 N 0.58 0.52 -0.36 1.44 3.38 -0.92 0.35 115.31 120.30 1xhe h LEU 91 Ca 0.09 -0.16 0.05 0.00 0.09 0.00 0.00 57.88 57.94 1xhe h LEU 91 Cb 0.68 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 1xhe h LEU 91 CO 0.05 0.54 0.11 1.23 0.09 0.00 0.00 178.44 180.47 1xhe h GLY 92 N 0.46 0.45 0.90 0.83 0.00 -0.84 0.19 103.07 105.06 1xhe h GLY 92 Ca 0.13 -0.06 -0.11 0.00 0.00 0.00 0.00 47.33 47.29 1xhe h GLY 92 CO -0.01 0.02 -0.27 1.41 0.00 0.00 0.00 176.54 177.69 1xhe h LEU 93 N 0.26 0.63 -0.77 3.11 3.38 -1.12 -2.14 115.31 118.66 1xhe h LEU 93 Ca 0.17 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.76 1xhe h LEU 93 Cb 0.16 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.65 1xhe h LEU 93 CO -0.18 1.00 0.39 -0.08 0.09 0.00 0.00 178.44 179.65 1xhe h GLU 94 N 0.28 0.60 0.00 1.13 4.57 0.24 0.12 114.58 121.52 1xhe h GLU 94 Ca 0.03 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1xhe h GLU 94 Cb 0.83 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.29 1xhe h GLU 94 CO 0.06 0.40 0.00 0.44 -1.18 0.00 0.00 179.01 178.73 1xhe n ILE 95 N -4.86 0.46 0.00 2.32 -6.64 0.61 -4.84 119.36 106.41 1xhe n ILE 95 Ca 0.13 0.11 0.00 0.00 -1.77 0.00 0.00 62.75 61.23 1xhe n ILE 95 Cb 0.33 -0.76 0.00 0.00 -1.44 0.00 0.00 39.64 37.77 1xhe n ILE 95 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1xhe n GLY 96 N 0.56 0.66 3.75 3.28 0.00 0.43 -4.85 105.19 109.01 1xhe n GLY 96 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 1xhe n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xhe n ALA 97 N 0.00 2.09 0.12 4.61 0.00 -0.82 -4.84 120.51 121.67 1xhe n ALA 97 Ca 0.00 0.35 -0.01 0.00 0.00 0.00 0.00 53.44 53.78 1xhe n ALA 97 Cb 0.00 -2.38 0.04 0.00 0.00 0.00 0.00 19.45 17.11 1xhe n ALA 97 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1xhe h ASP 98 N 3.16 0.00 -5.26 0.00 3.32 -1.23 -3.42 116.42 112.98 1xhe h ASP 98 Ca -0.49 0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.48 1xhe h ASP 98 Cb 1.25 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.70 1xhe h ASP 98 CO 0.66 0.68 -0.20 -0.62 -1.72 0.00 0.00 179.24 178.04 1xhe s ASP 99 N -6.59 -0.05 -0.13 6.45 -1.08 -1.14 -5.03 116.67 109.09 1xhe s ASP 99 Ca 0.02 -0.91 -0.04 0.00 -0.52 0.00 0.00 52.55 51.09 1xhe s ASP 99 Cb 0.10 0.53 0.05 0.00 -1.46 0.00 0.00 42.92 42.14 1xhe s ASP 99 CO 0.77 -1.04 0.09 -0.47 0.52 0.00 0.00 175.17 175.03 1xhe s TYR 100 N -4.00 0.10 0.14 -5.34 6.14 -1.26 -1.59 117.35 111.53 1xhe s TYR 100 Ca 0.21 -0.06 0.07 0.00 0.64 0.00 0.00 57.07 57.94 1xhe s TYR 100 Cb 0.01 -0.58 -0.04 0.00 0.42 0.00 0.00 41.96 41.77 1xhe s TYR 100 CO 0.06 -0.41 -0.17 0.96 0.64 0.00 0.00 175.55 176.64 1xhe s ILE 101 N 2.17 1.59 0.02 3.14 -0.00 0.13 -4.95 121.20 123.30 1xhe s ILE 101 Ca 0.03 -1.79 0.04 0.00 -0.00 0.00 0.00 60.65 58.94 1xhe s ILE 101 Cb -0.15 -1.67 -0.02 0.00 -0.00 0.00 0.00 42.46 40.63 1xhe s ILE 101 CO -0.07 -0.33 -0.12 0.28 -0.00 0.00 0.00 174.94 174.69 1xhe s THR 102 N -1.99 0.98 0.49 8.37 -1.32 -1.26 -1.45 115.64 119.45 1xhe s THR 102 Ca 0.12 -0.80 -0.19 0.00 -1.21 0.00 0.00 61.69 59.61 1xhe s THR 102 Cb -0.06 -0.87 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 1xhe s THR 102 CO 0.05 0.07 0.99 -0.54 -2.21 0.00 0.00 174.62 172.97 1xhe s LYS 103 N -0.83 3.97 0.32 7.08 1.02 -0.73 -3.55 119.74 127.01 1xhe s LYS 103 Ca 0.02 1.10 -0.23 0.00 0.02 0.00 0.00 55.97 56.88 1xhe s LYS 103 Cb -0.07 -2.14 -0.10 0.00 -0.52 0.00 0.00 37.83 35.01 1xhe s LYS 103 CO 0.01 -0.26 0.89 -1.25 -0.92 0.00 0.00 175.35 173.81 1xhe s PRO 104 N -3.61 4.42 -0.12 -1.68 0.04 -1.26 -4.76 135.00 128.03 1xhe s PRO 104 Ca 0.62 1.16 -0.10 0.00 0.04 0.00 0.00 61.00 62.72 1xhe s PRO 104 Cb -0.11 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.70 1xhe s PRO 104 CO 0.23 0.24 0.20 -0.59 0.04 0.00 0.00 177.00 177.13 1xhe s PHE 105 N -1.72 3.57 -0.15 0.56 -0.12 -1.23 -5.06 117.98 113.83 1xhe s PHE 105 Ca 0.51 0.59 -0.29 0.00 -0.05 0.00 0.00 56.93 57.68 1xhe s PHE 105 Cb -0.16 -2.09 -0.02 0.00 -0.63 0.00 0.00 43.02 40.12 1xhe s PHE 105 CO 0.21 0.59 1.30 1.21 -0.05 0.00 0.00 175.22 178.48 1xhe s ASN 106 N -0.62 6.92 0.51 1.98 3.84 -1.26 -4.91 114.94 121.39 1xhe s ASN 106 Ca 0.16 1.76 0.16 0.00 0.21 0.00 0.00 52.86 55.14 1xhe s ASN 106 Cb -0.13 -2.54 1.24 0.00 -0.55 0.00 0.00 41.25 39.28 1xhe s ASN 106 CO 0.05 -0.77 2.14 -0.65 -2.79 0.00 0.00 177.10 175.07 1xhe h PRO 107 N 8.31 0.04 -0.21 0.43 0.11 -1.99 -2.24 132.00 136.45 1xhe h PRO 107 Ca -0.28 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.82 1xhe h PRO 107 Cb 1.11 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1xhe h PRO 107 CO 0.96 0.03 0.10 0.00 -0.21 0.00 0.00 178.00 178.89 1xhe h ARG 108 N 0.05 0.30 -0.80 1.05 2.47 -2.00 -1.37 114.38 114.08 1xhe h ARG 108 Ca 0.02 -0.04 -0.03 0.00 -1.26 0.00 0.00 59.98 58.68 1xhe h ARG 108 Cb 0.04 -0.06 -0.04 0.00 -1.65 0.00 0.00 29.97 28.27 1xhe h ARG 108 CO -0.00 0.32 0.40 1.49 0.56 0.00 0.00 179.97 182.73 1xhe h GLU 109 N 0.22 1.14 -0.28 0.04 4.81 -1.83 -1.33 114.58 117.35 1xhe h GLU 109 Ca 0.07 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.12 1xhe h GLU 109 Cb 0.11 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 1xhe h GLU 109 CO -0.01 0.86 0.06 1.25 -0.73 0.00 0.00 179.01 180.44 1xhe h LEU 110 N 1.14 0.43 -0.40 1.64 5.85 -1.24 -0.38 115.31 122.33 1xhe h LEU 110 Ca 0.28 -0.24 -0.18 0.00 0.84 0.00 0.00 57.88 58.57 1xhe h LEU 110 Cb 0.09 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1xhe h LEU 110 CO -0.04 0.56 -0.74 0.71 -0.34 0.00 0.00 178.44 178.60 1xhe h THR 111 N 0.27 1.39 -0.28 1.05 1.35 -1.03 -0.87 112.91 114.79 1xhe h THR 111 Ca 0.09 -2.16 -0.06 0.00 -0.55 0.00 0.00 66.41 63.73 1xhe h THR 111 Cb 0.31 2.13 -0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1xhe h THR 111 CO 0.00 0.65 -0.04 0.40 -0.25 0.00 0.00 175.52 176.28 1xhe h ILE 112 N 0.26 1.27 -0.50 6.82 2.04 -1.18 0.13 117.51 126.35 1xhe h ILE 112 Ca -0.03 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.81 1xhe h ILE 112 Cb 1.31 1.37 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1xhe h ILE 112 CO 0.13 0.33 0.33 0.03 0.00 0.00 0.00 178.15 178.96 1xhe h ARG 113 N 0.29 0.66 -0.63 2.37 3.08 -1.07 0.60 114.38 119.69 1xhe h ARG 113 Ca 0.07 -0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.10 1xhe h ARG 113 Cb 0.50 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.36 1xhe h ARG 113 CO 0.02 0.44 0.41 0.00 -1.07 0.00 0.00 179.97 179.77 1xhe h ALA 114 N 1.18 0.80 -0.43 0.04 0.00 -1.00 -0.55 119.26 119.31 1xhe h ALA 114 Ca 0.18 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1xhe h ALA 114 Cb -0.08 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 1xhe h ALA 114 CO -0.04 0.19 0.06 -0.09 0.00 0.00 0.00 179.25 179.37 1xhe h ARG 115 N 0.82 0.72 -0.81 0.00 2.43 -0.17 0.13 114.38 117.50 1xhe h ARG 115 Ca 0.24 -0.20 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1xhe h ARG 115 Cb -0.06 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.38 1xhe h ARG 115 CO -0.07 0.76 0.33 -0.91 -1.51 0.00 0.00 179.97 178.57 1xhe h ASN 116 N 0.57 1.10 -0.15 -3.80 2.35 -0.64 -0.67 115.58 114.34 1xhe h ASN 116 Ca 0.13 -0.17 -0.16 0.00 -0.55 0.00 0.00 56.30 55.55 1xhe h ASN 116 Cb 0.39 -0.29 0.01 0.00 0.05 0.00 0.00 38.32 38.48 1xhe h ASN 116 CO 0.01 0.97 -0.55 0.25 -1.65 0.00 0.00 177.43 176.46 1xhe h LEU 117 N 1.17 0.74 -1.37 1.61 5.85 -0.87 -2.87 115.31 119.57 1xhe h LEU 117 Ca 0.27 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1xhe h LEU 117 Cb 0.20 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1xhe h LEU 117 CO -0.02 1.22 0.39 -0.07 -0.34 0.00 0.00 178.44 179.62 1xhe h LEU 118 N 0.30 0.71 -1.79 2.25 4.07 -0.53 -0.64 115.31 119.69 1xhe h LEU 118 Ca -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 57.88 57.90 1xhe h LEU 118 Cb 1.18 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.73 1xhe h LEU 118 CO 0.12 0.53 0.03 0.28 -1.08 0.00 0.00 178.44 178.31 1xhe h SER 119 N 0.83 0.14 0.88 -0.43 0.02 -0.91 0.21 113.55 114.30 1xhe h SER 119 Ca 0.22 -0.01 -0.23 0.00 -0.84 0.00 0.00 61.79 60.94 1xhe h SER 119 Cb -0.07 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.40 1xhe h SER 119 CO -0.05 0.15 -1.16 0.03 -1.14 0.00 0.00 176.83 174.66 1xhe h ARG 120 N 0.16 0.00 0.00 3.45 3.08 -0.98 -3.39 114.38 116.70 1xhe h ARG 120 Ca 0.04 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.92 1xhe h ARG 120 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 1xhe h ARG 120 CO -0.00 0.88 -2.08 0.25 -1.07 0.00 0.00 179.97 177.95 1xhe n THR 121 N -3.28 0.66 1.21 2.04 -2.24 -0.71 -5.12 114.28 106.84 1xhe n THR 121 Ca -0.04 -0.62 0.13 0.00 -2.27 0.00 0.00 64.05 61.25 1xhe n THR 121 Cb 0.96 -0.25 0.28 0.00 -2.10 0.00 0.00 70.33 69.22 1xhe n THR 121 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73