#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsr h SER 4 N 0.00 0.58 -0.41 1.61 4.64 -2.04 -0.06 113.55 117.87 3hsr h SER 4 Ca 0.00 -0.07 0.08 0.00 -0.47 0.00 0.00 61.79 61.33 3hsr h SER 4 Cb 0.00 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 61.92 3hsr h SER 4 CO 0.00 0.54 0.28 0.45 -0.87 0.00 0.00 176.83 177.23 3hsr h HIS 5 N 0.63 0.23 0.04 4.77 -0.00 -2.04 -0.49 115.15 118.29 3hsr h HIS 5 Ca 0.15 0.01 -0.12 0.00 -0.00 0.00 0.00 60.37 60.40 3hsr h HIS 5 Cb 0.16 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.49 3hsr h HIS 5 CO 0.01 0.12 -0.63 1.98 -0.00 0.00 0.00 177.93 179.41 3hsr h MET 6 N 0.22 0.09 -0.04 2.45 1.85 -1.46 -3.17 114.93 114.87 3hsr h MET 6 Ca 0.19 -0.16 -0.22 0.00 -0.61 0.00 0.00 59.70 58.89 3hsr h MET 6 Cb 0.46 0.06 0.01 0.00 0.43 0.00 0.00 31.60 32.55 3hsr h MET 6 CO -0.03 1.08 -0.89 0.10 -0.40 0.00 0.00 176.91 176.76 3hsr h TYR 7 N -0.77 0.76 -0.38 1.39 -0.00 -1.28 -2.23 116.97 114.46 3hsr h TYR 7 Ca -0.14 -0.38 -0.12 0.00 -0.00 0.00 0.00 58.73 58.08 3hsr h TYR 7 Cb 1.30 -0.10 -0.01 0.00 -0.00 0.00 0.00 36.73 37.92 3hsr h TYR 7 CO 0.20 1.20 -0.25 -0.07 -0.00 0.00 0.00 178.16 179.24 3hsr h LEU 8 N 0.33 0.78 -0.45 0.10 3.38 -1.29 -2.93 115.31 115.23 3hsr h LEU 8 Ca -0.07 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.47 3hsr h LEU 8 Cb 1.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 42.04 3hsr h LEU 8 CO 0.16 0.99 -0.25 0.28 0.09 0.00 0.00 178.44 179.72 3hsr h SER 9 N 0.66 1.00 -0.56 -0.43 0.02 -1.50 0.66 113.55 113.41 3hsr h SER 9 Ca 0.09 -0.41 0.01 0.00 -0.84 0.00 0.00 61.79 60.64 3hsr h SER 9 Cb 0.76 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.99 3hsr h SER 9 CO 0.06 1.20 0.36 0.11 -1.14 0.00 0.00 176.83 177.42 3hsr h LYS 10 N 0.81 0.71 -0.12 3.45 1.57 -1.42 0.17 116.57 121.75 3hsr h LYS 10 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3hsr h LYS 10 Cb 0.83 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 3hsr h LYS 10 CO 0.07 0.47 -0.02 1.96 -0.57 0.00 0.00 179.45 181.37 3hsr h GLN 11 N 0.73 0.22 -0.47 3.15 1.08 -1.31 -1.67 115.11 116.84 3hsr h GLN 11 Ca 0.21 -0.08 0.09 0.00 -1.45 0.00 0.00 58.65 57.42 3hsr h GLN 11 Cb -0.06 -0.02 -0.08 0.00 -0.05 0.00 0.00 27.48 27.28 3hsr h GLN 11 CO -0.06 0.50 0.01 -0.07 -0.95 0.00 0.00 178.83 178.26 3hsr h LEU 12 N -0.08 -0.19 0.46 1.46 3.38 -0.69 -0.86 115.31 118.80 3hsr h LEU 12 Ca 0.03 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3hsr h LEU 12 Cb 0.41 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 3hsr h LEU 12 CO 0.01 -0.06 -0.27 0.00 0.09 0.00 0.00 178.44 178.21 3hsr h PHE 14 N -0.70 0.82 -0.17 0.00 3.57 -1.20 -1.02 116.94 118.24 3hsr h PHE 14 Ca -0.05 -0.01 -0.19 0.00 3.53 0.00 0.00 57.97 61.25 3hsr h PHE 14 Cb 0.57 -0.26 -0.00 0.00 2.79 0.00 0.00 35.95 39.04 3hsr h PHE 14 CO -0.09 0.57 -0.65 -0.07 -2.23 0.00 0.00 178.31 175.85 3hsr h LEU 15 N 0.82 0.72 -1.08 0.59 3.38 -1.08 -1.16 115.31 117.50 3hsr h LEU 15 Ca 0.22 -0.43 -0.08 0.00 0.09 0.00 0.00 57.88 57.68 3hsr h LEU 15 Cb 0.01 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3hsr h LEU 15 CO -0.04 1.18 -0.18 -0.26 0.09 0.00 0.00 178.44 179.23 3hsr h PHE 16 N 0.46 0.48 -0.09 1.13 0.04 -1.13 -1.72 116.94 116.10 3hsr h PHE 16 Ca -0.01 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 3hsr h PHE 16 Cb 1.23 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 39.25 3hsr h PHE 16 CO 0.06 0.60 0.02 -0.92 -0.60 0.00 0.00 178.31 177.47 3hsr h TYR 17 N 0.40 0.15 0.00 -0.55 3.20 -0.66 -1.48 116.97 118.04 3hsr h TYR 17 Ca 0.07 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 3hsr h TYR 17 Cb 0.55 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 38.78 3hsr h TYR 17 CO 0.02 0.32 -0.00 0.28 -1.64 0.00 0.00 178.16 177.13 3hsr h VAL 18 N -0.05 1.25 0.20 1.81 2.07 -1.21 -2.19 116.25 118.14 3hsr h VAL 18 Ca 0.03 -0.76 0.01 0.00 0.82 0.00 0.00 66.70 66.79 3hsr h VAL 18 Cb 0.24 1.77 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3hsr h VAL 18 CO -0.00 0.20 -0.24 0.28 0.02 0.00 0.00 177.57 177.83 3hsr h SER 19 N -0.33 -0.64 -0.14 0.57 0.02 -1.36 -2.12 113.55 109.55 3hsr h SER 19 Ca -0.00 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3hsr h SER 19 Cb 0.33 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3hsr h SER 19 CO 0.00 -0.34 0.09 0.28 -1.14 0.00 0.00 176.83 175.72 3hsr h SER 20 N -0.48 0.17 -0.72 3.07 0.02 -1.33 -0.03 113.55 114.25 3hsr h SER 20 Ca 0.00 -0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.05 3hsr h SER 20 Cb 0.47 -0.04 -0.14 0.00 0.14 0.00 0.00 62.40 62.83 3hsr h SER 20 CO -0.07 0.17 -0.16 0.50 -1.14 0.00 0.00 176.83 176.12 3hsr h LYS 21 N 0.16 0.01 0.19 3.45 3.64 -1.36 -0.93 116.57 121.73 3hsr h LYS 21 Ca 0.05 -0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 59.11 3hsr h LYS 21 Cb 0.03 -0.00 0.02 0.00 -0.41 0.00 0.00 32.23 31.87 3hsr h LYS 21 CO -0.01 0.00 -1.46 0.93 -2.27 0.00 0.00 179.45 176.65 3hsr h GLU 22 N 0.01 0.41 0.06 1.90 4.39 -0.99 -2.28 114.58 118.07 3hsr h GLU 22 Ca 0.35 -0.69 -0.00 0.00 0.34 0.00 0.00 59.36 59.35 3hsr h GLU 22 Cb 0.54 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.45 3hsr h GLU 22 CO -0.73 1.32 -0.03 0.82 -1.16 0.00 0.00 179.01 179.22 3hsr h ILE 23 N 0.11 0.97 -0.89 3.13 2.04 -0.87 -2.67 117.51 119.33 3hsr h ILE 23 Ca -0.23 -0.10 0.09 0.00 1.00 0.00 0.00 64.86 65.62 3hsr h ILE 23 Cb 2.09 1.03 -0.06 0.00 -0.74 0.00 0.00 36.82 39.14 3hsr h ILE 23 CO 0.23 0.02 0.58 0.40 0.00 0.00 0.00 178.15 179.38 3hsr h ILE 24 N -0.12 1.00 -0.55 -0.67 2.04 -1.21 -1.51 117.51 116.48 3hsr h ILE 24 Ca -0.01 -0.32 0.04 0.00 1.00 0.00 0.00 64.86 65.58 3hsr h ILE 24 Cb 0.10 -0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.13 3hsr h ILE 24 CO 0.01 0.17 0.30 0.50 0.00 0.00 0.00 178.15 179.13 3hsr h LYS 25 N 0.93 0.55 -0.28 2.37 3.64 -1.15 0.02 116.57 122.66 3hsr h LYS 25 Ca 0.40 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.66 3hsr h LYS 25 Cb 0.34 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 3hsr h LYS 25 CO -0.17 0.37 -0.20 0.87 -2.27 0.00 0.00 179.45 178.05 3hsr h LYS 26 N 0.57 0.50 -0.15 1.90 1.57 -0.96 -1.44 116.57 118.57 3hsr h LYS 26 Ca 0.24 -0.17 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3hsr h LYS 26 Cb 0.13 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.39 3hsr h LYS 26 CO -0.15 0.68 -0.04 1.88 -0.57 0.00 0.00 179.45 181.25 3hsr h TYR 27 N 0.45 0.34 -0.70 -1.35 -1.99 -0.97 -3.01 116.97 109.74 3hsr h TYR 27 Ca 0.07 -0.07 0.05 0.00 2.00 0.00 0.00 58.73 60.78 3hsr h TYR 27 Cb 0.61 -0.08 -0.04 0.00 2.00 0.00 0.00 36.73 39.22 3hsr h TYR 27 CO 0.02 0.59 0.46 1.15 -0.00 0.00 0.00 178.16 180.37 3hsr h THR 28 N -0.01 1.04 -0.19 -2.88 2.02 -0.71 0.33 112.91 112.52 3hsr h THR 28 Ca 0.04 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.96 3hsr h THR 28 Cb 0.48 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.10 3hsr h THR 28 CO 0.02 0.14 0.12 -1.13 0.37 0.00 0.00 175.52 175.04 3hsr h ASN 29 N 0.75 0.22 -0.35 4.18 -0.73 -1.17 -1.92 115.58 116.56 3hsr h ASN 29 Ca 0.29 -0.01 -0.10 0.00 1.87 0.00 0.00 56.30 58.35 3hsr h ASN 29 Cb 0.20 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.72 3hsr h ASN 29 CO -0.09 0.16 -0.15 1.88 -0.37 0.00 0.00 177.43 178.87 3hsr h TYR 30 N 0.25 0.90 0.00 0.67 0.05 -1.10 -3.31 116.97 114.43 3hsr h TYR 30 Ca 0.07 -0.18 -0.08 0.00 0.05 0.00 0.00 58.73 58.59 3hsr h TYR 30 Cb -0.02 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.49 3hsr h TYR 30 CO -0.06 0.90 -0.36 -0.07 -1.05 0.00 0.00 178.16 177.52 3hsr h LEU 31 N 0.72 0.00 -0.64 3.88 3.38 0.00 -3.11 115.31 119.54 3hsr h LEU 31 Ca 0.11 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.22 3hsr h LEU 31 Cb 0.65 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.29 3hsr h LEU 31 CO 0.05 0.36 0.03 0.11 0.09 0.00 0.00 178.44 179.08 3hsr h LYS 32 N 0.00 0.14 -0.21 1.13 1.79 -1.45 0.25 116.57 118.22 3hsr h LYS 32 Ca -0.00 -0.01 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 3hsr h LYS 32 Cb 0.92 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.53 3hsr h LYS 32 CO 0.05 0.09 0.36 1.49 -1.08 0.00 0.00 179.45 180.36 3hsr h GLU 33 N 0.14 0.00 -0.24 3.15 4.81 -1.75 0.29 114.58 120.97 3hsr h GLU 33 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 3hsr h GLU 33 Cb 0.56 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 3hsr h GLU 33 CO -0.53 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.41 3hsr n TYR 34 N -3.38 0.31 -3.65 0.92 4.01 0.84 -4.98 117.16 111.22 3hsr n TYR 34 Ca 0.03 -0.21 -0.27 0.00 -0.16 0.00 0.00 57.90 57.28 3hsr n TYR 34 Cb 0.48 -0.01 0.03 0.00 -0.31 0.00 0.00 39.34 39.53 3hsr n TYR 34 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hsr n ASP 35 N 1.03 -5.02 -4.45 7.72 2.03 0.10 -4.99 116.55 112.97 3hsr n ASP 35 Ca 0.14 -0.61 -0.31 0.00 0.52 0.00 0.00 54.79 54.52 3hsr n ASP 35 Cb 0.47 -4.02 -0.13 0.00 -0.72 0.00 0.00 41.12 36.72 3hsr n ASP 35 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 3hsr s LEU 36 N -7.07 2.59 0.66 -2.67 1.43 -1.11 -5.04 118.68 107.48 3hsr s LEU 36 Ca 0.56 -0.38 -0.10 0.00 -1.03 0.00 0.00 54.13 53.18 3hsr s LEU 36 Cb -0.28 -1.51 -0.00 0.00 0.03 0.00 0.00 46.19 44.43 3hsr s LEU 36 CO 0.69 0.28 1.04 0.42 0.23 0.00 0.00 176.35 179.02 3hsr s THR 37 N -0.86 3.88 0.16 5.49 -4.23 -1.26 -4.39 115.64 114.43 3hsr s THR 37 Ca 0.14 0.51 -0.15 0.00 -1.18 0.00 0.00 61.69 61.00 3hsr s THR 37 Cb -0.10 -3.59 0.04 0.00 1.34 0.00 0.00 72.50 70.19 3hsr s THR 37 CO 0.04 -0.75 1.78 0.22 -0.54 0.00 0.00 174.62 175.37 3hsr h TYR 38 N -0.47 0.39 -0.29 3.99 3.20 -1.94 -0.77 116.97 121.07 3hsr h TYR 38 Ca -0.45 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.36 3hsr h TYR 38 Cb 1.24 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.38 3hsr h TYR 38 CO 0.54 0.20 -0.16 1.15 -1.64 0.00 0.00 178.16 178.25 3hsr h THR 39 N 0.42 1.24 -0.41 1.81 2.02 -1.99 -1.05 112.91 114.95 3hsr h THR 39 Ca 0.18 -1.09 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 3hsr h THR 39 Cb 0.09 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3hsr h THR 39 CO -0.13 0.35 0.17 1.23 0.37 0.00 0.00 175.52 177.51 3hsr h GLY 40 N 0.95 0.65 0.53 2.16 0.00 -1.84 -1.20 103.07 104.32 3hsr h GLY 40 Ca 0.08 -0.35 0.07 0.00 0.00 0.00 0.00 47.33 47.13 3hsr h GLY 40 CO 0.03 0.33 0.20 -1.82 0.00 0.00 0.00 176.54 175.28 3hsr h TYR 41 N 0.52 0.34 -0.45 5.60 3.20 -0.64 -1.59 116.97 123.96 3hsr h TYR 41 Ca 0.14 0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.04 3hsr h TYR 41 Cb 0.18 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 3hsr h TYR 41 CO -0.00 0.12 0.29 0.82 -1.64 0.00 0.00 178.16 177.75 3hsr h ILE 42 N 0.38 1.11 -0.44 1.81 1.08 -0.78 0.96 117.51 121.62 3hsr h ILE 42 Ca 0.25 -0.20 -0.01 0.00 -0.39 0.00 0.00 64.86 64.51 3hsr h ILE 42 Cb 0.26 0.46 -0.02 0.00 -3.07 0.00 0.00 36.82 34.45 3hsr h ILE 42 CO -0.25 0.11 0.25 0.58 -0.69 0.00 0.00 178.15 178.16 3hsr h VAL 43 N 0.59 1.15 -0.60 1.67 2.07 -0.89 -1.38 116.25 118.86 3hsr h VAL 43 Ca 0.17 -0.37 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 3hsr h VAL 43 Cb -0.06 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3hsr h VAL 43 CO -0.04 0.16 0.25 -0.07 0.02 0.00 0.00 177.57 177.88 3hsr h LEU 44 N 0.58 0.83 -1.40 2.57 3.38 -0.76 -2.14 115.31 118.38 3hsr h LEU 44 Ca 0.16 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3hsr h LEU 44 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 3hsr h LEU 44 CO -0.03 0.77 -0.23 0.24 0.09 0.00 0.00 178.44 179.28 3hsr h MET 45 N 0.84 0.00 0.00 1.13 2.86 -0.40 -2.92 114.93 116.44 3hsr h MET 45 Ca 0.20 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.73 3hsr h MET 45 Cb 0.20 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.84 3hsr h MET 45 CO -0.02 0.23 -0.64 0.00 1.06 0.00 0.00 176.91 177.55 3hsr h ALA 46 N 1.77 0.66 -2.31 6.32 0.00 -0.61 -3.44 119.26 121.66 3hsr h ALA 46 Ca -0.00 -0.51 -0.58 0.00 0.00 0.00 0.00 54.91 53.82 3hsr h ALA 46 Cb 0.61 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.30 3hsr h ALA 46 CO 0.03 0.67 0.49 0.42 0.00 0.00 0.00 179.25 180.86 3hsr s ILE 47 N -2.95 4.83 0.50 0.00 1.01 -1.03 -5.05 121.20 118.51 3hsr s ILE 47 Ca 0.03 1.76 -0.08 0.00 0.00 0.00 0.00 60.65 62.36 3hsr s ILE 47 Cb 0.08 -4.19 -0.05 0.00 0.01 0.00 0.00 42.46 38.31 3hsr s ILE 47 CO 0.76 -0.02 0.86 -1.61 0.00 0.00 0.00 174.94 174.93 3hsr s GLU 48 N 2.34 3.63 0.41 2.79 0.41 -1.26 -4.97 118.70 122.04 3hsr s GLU 48 Ca 0.41 0.44 0.17 0.00 -0.41 0.00 0.00 54.97 55.58 3hsr s GLU 48 Cb -0.17 -2.29 0.87 0.00 -1.78 0.00 0.00 34.13 30.77 3hsr s GLU 48 CO 0.12 -0.27 1.86 -0.91 -0.49 0.00 0.00 175.26 175.58 3hsr h ASN 49 N 0.35 0.00 -0.52 -0.19 2.35 -1.96 -2.33 115.58 113.27 3hsr h ASN 49 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.29 3hsr h ASN 49 Cb 1.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.57 3hsr h ASN 49 CO 0.62 0.32 0.00 -0.90 -1.65 0.00 0.00 177.43 175.82 3hsr n ASP 50 N -3.89 3.27 -4.67 5.81 5.68 -1.26 -4.75 116.55 116.73 3hsr n ASP 50 Ca -0.02 -2.15 -0.33 0.00 -0.50 0.00 0.00 54.79 51.80 3hsr n ASP 50 Cb 0.39 -0.42 -0.09 0.00 -1.14 0.00 0.00 41.12 39.85 3hsr n ASP 50 CO 0.00 0.00 0.00 -0.70 -1.33 0.00 0.00 177.20 175.17 3hsr s GLU 51 N -1.49 2.79 -0.11 0.11 2.12 -0.88 -5.10 118.70 116.14 3hsr s GLU 51 Ca 0.37 -0.58 0.00 0.00 0.36 0.00 0.00 54.97 55.13 3hsr s GLU 51 Cb 0.22 -2.67 0.02 0.00 0.26 0.00 0.00 34.13 31.96 3hsr s GLU 51 CO 0.22 0.64 -0.11 0.21 -0.54 0.00 0.00 175.26 175.68 3hsr s LYS 52 N -1.37 1.82 -0.00 4.30 2.20 -1.26 -4.39 119.74 121.04 3hsr s LYS 52 Ca 0.18 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.42 3hsr s LYS 52 Cb -0.11 -1.71 -0.01 0.00 -1.51 0.00 0.00 37.83 34.49 3hsr s LYS 52 CO 0.08 -0.18 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.66 3hsr s LEU 53 N 1.38 2.03 0.59 5.43 2.96 0.41 -4.85 118.68 126.63 3hsr s LEU 53 Ca -0.00 -0.15 -0.12 0.00 -0.22 0.00 0.00 54.13 53.64 3hsr s LEU 53 Cb -0.13 -0.30 -0.05 0.00 0.50 0.00 0.00 46.19 46.20 3hsr s LEU 53 CO -0.06 0.05 1.01 0.54 -1.32 0.00 0.00 176.35 176.57 3hsr s ASN 54 N -0.27 6.33 0.40 3.68 2.20 -1.26 0.02 114.94 126.03 3hsr s ASN 54 Ca 0.01 1.44 0.10 0.00 -0.94 0.00 0.00 52.86 53.47 3hsr s ASN 54 Cb -0.03 -2.47 0.81 0.00 -2.00 0.00 0.00 41.25 37.56 3hsr s ASN 54 CO -0.00 -0.79 1.93 0.40 -2.94 0.00 0.00 177.10 175.70 3hsr h ILE 55 N 0.01 1.17 0.13 0.54 2.04 -1.97 -1.79 117.51 117.64 3hsr h ILE 55 Ca -0.45 -0.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 3hsr h ILE 55 Cb 1.19 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.49 3hsr h ILE 55 CO 0.62 0.23 -0.06 0.11 0.00 0.00 0.00 178.15 179.05 3hsr h LYS 56 N 0.20 -0.16 -0.48 2.37 1.79 -1.96 0.07 116.57 118.39 3hsr h LYS 56 Ca 0.04 0.01 -0.05 0.00 -2.18 0.00 0.00 60.65 58.47 3hsr h LYS 56 Cb 0.36 0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 31.03 3hsr h LYS 56 CO 0.02 0.06 0.08 0.87 -1.08 0.00 0.00 179.45 179.40 3hsr h LYS 57 N -0.37 0.76 -0.43 3.15 1.57 -1.90 -1.04 116.57 118.30 3hsr h LYS 57 Ca -0.02 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.58 3hsr h LYS 57 Cb 0.30 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 3hsr h LYS 57 CO 0.03 0.72 0.22 1.25 -0.57 0.00 0.00 179.45 181.09 3hsr h LEU 58 N 0.72 0.56 -0.62 2.94 5.85 -1.24 -1.65 115.31 121.87 3hsr h LEU 58 Ca 0.15 -0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.83 3hsr h LEU 58 Cb 0.33 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 3hsr h LEU 58 CO 0.01 0.52 0.30 1.23 -0.34 0.00 0.00 178.44 180.15 3hsr h GLY 59 N 0.56 0.89 1.01 3.75 0.00 -0.42 -1.80 103.07 107.07 3hsr h GLY 59 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 3hsr h GLY 59 CO -0.02 0.08 0.43 0.83 0.00 0.00 0.00 176.54 177.85 3hsr h GLU 60 N 0.54 1.09 -0.77 4.80 4.39 -0.90 0.94 114.58 124.67 3hsr h GLU 60 Ca 0.29 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.82 3hsr h GLU 60 Cb 0.26 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.67 3hsr h GLU 60 CO -0.23 0.80 0.29 -0.09 -1.16 0.00 0.00 179.01 178.62 3hsr h ARG 61 N 1.08 1.16 -0.53 2.33 2.43 -0.70 -3.07 114.38 117.08 3hsr h ARG 61 Ca 0.27 -0.22 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 3hsr h ARG 61 Cb 0.03 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.40 3hsr h ARG 61 CO -0.04 0.95 0.00 1.33 -1.51 0.00 0.00 179.97 180.70 3hsr n VAL 62 N -4.27 1.29 -3.78 0.20 0.24 -0.73 -4.97 118.33 106.31 3hsr n VAL 62 Ca 0.07 -1.12 -0.27 0.00 -2.04 0.00 0.00 64.34 60.97 3hsr n VAL 62 Cb 0.20 0.35 0.05 0.00 -1.47 0.00 0.00 33.84 32.97 3hsr n VAL 62 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 3hsr n PHE 63 N 0.92 -2.48 -4.33 6.34 3.72 0.25 -4.98 117.46 116.90 3hsr n PHE 63 Ca 0.20 0.94 -0.30 0.00 -0.05 0.00 0.00 57.45 58.24 3hsr n PHE 63 Cb 0.63 -4.40 -0.10 0.00 -0.94 0.00 0.00 39.48 34.67 3hsr n PHE 63 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3hsr s LEU 64 N -7.23 2.95 0.55 4.37 1.43 -0.76 -5.05 118.68 114.95 3hsr s LEU 64 Ca 0.58 -0.39 -0.09 0.00 -1.03 0.00 0.00 54.13 53.20 3hsr s LEU 64 Cb -0.28 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 3hsr s LEU 64 CO 0.79 0.20 0.91 1.51 0.23 0.00 0.00 176.35 180.00 3hsr s ASP 65 N -2.00 6.27 0.26 2.29 -4.77 -1.26 -4.50 116.67 112.96 3hsr s ASP 65 Ca 0.19 1.20 -0.04 0.00 -3.30 0.00 0.00 52.55 50.61 3hsr s ASP 65 Cb -0.11 -2.37 0.35 0.00 -1.09 0.00 0.00 42.92 39.70 3hsr s ASP 65 CO 0.11 -0.72 1.92 0.28 0.70 0.00 0.00 175.17 177.46 3hsr h SER 66 N 0.01 1.08 -0.71 2.11 0.02 -1.97 0.17 113.55 114.27 3hsr h SER 66 Ca -0.45 -0.02 0.15 0.00 -0.84 0.00 0.00 61.79 60.63 3hsr h SER 66 Cb 1.20 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.44 3hsr h SER 66 CO 0.62 0.75 0.48 1.23 -1.14 0.00 0.00 176.83 178.77 3hsr h GLY 67 N 1.26 0.56 0.21 -3.77 0.00 -2.00 0.98 103.07 100.30 3hsr h GLY 67 Ca 0.38 -0.14 -0.19 0.00 0.00 0.00 0.00 47.33 47.38 3hsr h GLY 67 CO -0.11 0.05 -0.98 -0.84 0.00 0.00 0.00 176.54 174.66 3hsr h THR 68 N 0.33 1.19 0.00 4.70 2.02 -1.61 -3.39 112.91 116.15 3hsr h THR 68 Ca 0.34 -2.31 -0.07 0.00 0.77 0.00 0.00 66.41 65.15 3hsr h THR 68 Cb 0.87 2.71 -0.01 0.00 -1.74 0.00 0.00 68.15 69.98 3hsr h THR 68 CO -0.09 0.53 -0.33 0.25 0.37 0.00 0.00 175.52 176.25 3hsr h LEU 69 N -0.75 0.00 0.08 2.58 5.85 -0.66 -3.10 115.31 119.32 3hsr h LEU 69 Ca -0.24 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hsr h LEU 69 Cb 1.39 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.42 3hsr h LEU 69 CO -0.06 0.33 -0.04 0.74 -0.34 0.00 0.00 178.44 179.07 3hsr h THR 70 N 0.00 1.16 0.00 1.05 2.02 -1.00 -0.83 112.91 115.31 3hsr h THR 70 Ca -0.00 -0.97 -0.06 0.00 0.77 0.00 0.00 66.41 66.15 3hsr h THR 70 Cb 0.65 1.78 -0.01 0.00 -1.74 0.00 0.00 68.15 68.83 3hsr h THR 70 CO 0.04 0.24 -0.27 1.55 0.37 0.00 0.00 175.52 177.45 3hsr h PRO 71 N -0.56 0.00 -0.22 6.66 0.13 -1.75 -2.68 132.00 133.57 3hsr h PRO 71 Ca -0.01 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.09 3hsr h PRO 71 Cb 0.47 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.59 3hsr h PRO 71 CO 0.02 0.27 0.02 1.25 -0.23 0.00 0.00 178.00 179.32 3hsr h LEU 72 N 0.00 0.36 -1.12 1.56 5.85 -1.51 -2.54 115.31 117.91 3hsr h LEU 72 Ca -0.00 -0.29 0.01 0.00 0.84 0.00 0.00 57.88 58.44 3hsr h LEU 72 Cb 0.85 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.74 3hsr h LEU 72 CO 0.03 0.56 0.60 -0.07 -0.34 0.00 0.00 178.44 179.22 3hsr h LEU 73 N 0.15 1.02 -1.14 2.25 3.38 -1.05 -1.24 115.31 118.69 3hsr h LEU 73 Ca 0.06 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3hsr h LEU 73 Cb 0.36 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.81 3hsr h LEU 73 CO 0.01 0.74 0.58 0.11 0.09 0.00 0.00 178.44 179.97 3hsr h LYS 74 N 1.21 1.12 -0.37 1.13 1.57 -1.37 0.10 116.57 119.96 3hsr h LYS 74 Ca 0.33 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.92 3hsr h LYS 74 Cb -0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 31.93 3hsr h LYS 74 CO -0.08 0.74 -0.25 0.87 -0.57 0.00 0.00 179.45 180.16 3hsr h LYS 75 N 1.15 0.82 0.00 3.15 1.57 -0.96 -0.17 116.57 122.13 3hsr h LYS 75 Ca 0.34 -0.39 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 3hsr h LYS 75 Cb -0.06 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 3hsr h LYS 75 CO -0.09 1.02 -0.23 -0.07 -0.57 0.00 0.00 179.45 179.52 3hsr h LEU 76 N 0.61 0.00 0.01 2.94 3.38 -0.76 -1.13 115.31 120.37 3hsr h LEU 76 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 3hsr h LEU 76 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3hsr h LEU 76 CO 0.07 0.23 -0.00 -0.08 0.09 0.00 0.00 178.44 178.74 3hsr h GLU 77 N 0.00 -0.01 -1.01 1.13 4.81 -0.46 -0.35 114.58 118.70 3hsr h GLU 77 Ca -0.00 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.46 3hsr h GLU 77 Cb 0.52 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.80 3hsr h GLU 77 CO 0.03 0.60 0.62 0.87 -0.73 0.00 0.00 179.01 180.39 3hsr h LYS 78 N -0.64 0.59 0.00 1.92 1.57 -0.76 0.53 116.57 119.78 3hsr h LYS 78 Ca -0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hsr h LYS 78 Cb 0.62 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3hsr h LYS 78 CO 0.00 0.39 0.00 1.63 -0.57 0.00 0.00 179.45 180.90 3hsr n LYS 79 N -4.77 0.82 -2.93 3.15 5.02 -0.45 -4.90 118.16 114.10 3hsr n LYS 79 Ca 0.25 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.32 3hsr n LYS 79 Cb 0.70 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 34.28 3hsr n LYS 79 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3hsr n ASP 80 N -0.96 -5.92 -0.11 4.39 8.00 0.19 -4.88 116.55 117.25 3hsr n ASP 80 Ca 0.18 -0.24 -0.12 0.00 0.71 0.00 0.00 54.79 55.31 3hsr n ASP 80 Cb 0.08 -4.81 -0.14 0.00 -0.02 0.00 0.00 41.12 36.23 3hsr n ASP 80 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3hsr n TYR 81 N -4.38 0.00 -4.41 1.24 4.01 -0.16 -4.00 117.16 109.45 3hsr n TYR 81 Ca -0.13 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.39 3hsr n TYR 81 Cb 0.63 -0.96 -0.10 0.00 -0.31 0.00 0.00 39.34 38.60 3hsr n TYR 81 CO 0.00 0.00 0.00 0.14 -0.46 0.00 0.00 176.86 176.54 3hsr s VAL 82 N -2.48 2.15 0.02 -0.72 -7.23 -1.10 -0.88 120.40 110.17 3hsr s VAL 82 Ca -0.19 -2.31 0.05 0.00 -1.81 0.00 0.00 61.98 57.72 3hsr s VAL 82 Cb 0.07 -2.18 -0.02 0.00 0.56 0.00 0.00 36.38 34.81 3hsr s VAL 82 CO 0.71 -0.48 -0.15 0.68 -0.31 0.00 0.00 175.10 175.55 3hsr s VAL 83 N -2.68 1.19 -0.18 1.32 -7.23 -0.70 -4.30 120.40 107.82 3hsr s VAL 83 Ca 0.26 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.49 3hsr s VAL 83 Cb -0.03 -1.04 -0.03 0.00 0.56 0.00 0.00 36.38 35.84 3hsr s VAL 83 CO 0.11 0.14 0.01 -0.13 -0.31 0.00 0.00 175.10 174.93 3hsr s ARG 84 N -0.85 3.79 -0.17 4.82 0.52 -1.26 -2.54 118.95 123.25 3hsr s ARG 84 Ca 0.04 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.81 3hsr s ARG 84 Cb -0.07 -3.08 0.02 0.00 0.52 0.00 0.00 34.95 32.34 3hsr s ARG 84 CO 0.01 0.20 -0.17 0.95 0.02 0.00 0.00 175.30 176.31 3hsr s THR 85 N 0.51 1.88 0.00 0.02 -4.23 -0.58 -4.92 115.64 108.33 3hsr s THR 85 Ca -0.00 -0.86 -0.30 0.00 -1.18 0.00 0.00 61.69 59.34 3hsr s THR 85 Cb -0.14 -1.74 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 3hsr s THR 85 CO 0.02 0.47 1.37 0.00 -0.54 0.00 0.00 174.62 175.94 3hsr s ARG 86 N 1.35 4.30 -0.03 3.99 3.03 -1.26 -0.52 118.95 129.81 3hsr s ARG 86 Ca 0.04 1.93 0.01 0.00 2.03 0.00 0.00 55.73 59.75 3hsr s ARG 86 Cb -0.13 -3.54 -0.03 0.00 -1.03 0.00 0.00 34.95 30.21 3hsr s ARG 86 CO -0.12 -0.54 -0.04 -0.51 -1.13 0.00 0.00 175.30 172.96 3hsr s LEU 94 N 2.24 3.33 0.12 -1.89 1.43 -1.26 -5.24 118.68 117.41 3hsr s LEU 94 Ca 0.63 -0.03 0.11 0.00 -1.03 0.00 0.00 54.13 53.80 3hsr s LEU 94 Cb -0.31 -1.84 -0.04 0.00 0.03 0.00 0.00 46.19 44.03 3hsr s LEU 94 CO 0.26 0.32 -0.25 -1.10 0.23 0.00 0.00 176.35 175.81 3hsr s GLN 95 N -1.22 1.48 -0.07 1.70 -1.52 0.32 -4.47 119.66 115.88 3hsr s GLN 95 Ca 0.16 -1.31 0.01 0.00 -1.95 0.00 0.00 55.36 52.27 3hsr s GLN 95 Cb -0.11 -1.94 -0.03 0.00 -0.22 0.00 0.00 33.01 30.71 3hsr s GLN 95 CO 0.06 0.46 -0.08 0.42 -0.25 0.00 0.00 175.29 175.90 3hsr s ILE 96 N -1.06 3.62 0.29 1.08 1.01 0.10 -1.53 121.20 124.71 3hsr s ILE 96 Ca 0.15 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.17 3hsr s ILE 96 Cb -0.10 -2.47 0.01 0.00 0.01 0.00 0.00 42.46 39.90 3hsr s ILE 96 CO 0.07 0.60 0.54 -0.94 0.00 0.00 0.00 174.94 175.20 3hsr s SER 97 N -0.78 0.15 0.06 3.58 1.04 -1.05 -0.44 113.70 116.26 3hsr s SER 97 Ca 0.12 -1.07 -0.17 0.00 0.48 0.00 0.00 55.95 55.31 3hsr s SER 97 Cb -0.11 0.65 -0.06 0.00 0.10 0.00 0.00 66.02 66.60 3hsr s SER 97 CO 0.01 -1.27 0.51 -0.76 0.98 0.00 0.00 173.24 172.71 3hsr s LEU 98 N -3.07 4.48 0.90 2.42 1.43 -1.26 -1.72 118.68 121.87 3hsr s LEU 98 Ca 0.23 1.13 -0.14 0.00 -1.03 0.00 0.00 54.13 54.31 3hsr s LEU 98 Cb -0.02 -2.84 0.16 0.00 0.03 0.00 0.00 46.19 43.52 3hsr s LEU 98 CO 0.12 0.27 1.26 0.42 0.23 0.00 0.00 176.35 178.65 3hsr s THR 99 N -1.15 2.01 0.24 5.49 -4.23 -0.06 -4.78 115.64 113.16 3hsr s THR 99 Ca 0.28 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.72 3hsr s THR 99 Cb -0.18 -2.99 0.19 0.00 1.34 0.00 0.00 72.50 70.86 3hsr s THR 99 CO 0.17 0.00 1.84 -0.33 -0.54 0.00 0.00 174.62 175.76 3hsr h GLU 100 N -1.41 1.15 -0.18 3.99 4.39 -1.88 0.10 114.58 120.73 3hsr h GLU 100 Ca -0.45 -0.17 -0.00 0.00 0.34 0.00 0.00 59.36 59.09 3hsr h GLU 100 Cb 1.27 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 3hsr h GLU 100 CO 0.48 0.89 0.11 0.37 -1.16 0.00 0.00 179.01 179.70 3hsr h GLN 101 N 1.14 0.25 -0.50 2.33 4.15 -1.90 -0.62 115.11 119.95 3hsr h GLN 101 Ca 0.28 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.75 3hsr h GLN 101 Cb 0.12 -0.05 -0.06 0.00 0.21 0.00 0.00 27.48 27.69 3hsr h GLN 101 CO -0.03 0.20 0.14 0.78 -1.93 0.00 0.00 178.83 177.99 3hsr h GLY 102 N 0.22 0.64 1.28 2.39 0.00 -1.47 0.15 103.07 106.27 3hsr h GLY 102 Ca 0.07 -0.06 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 3hsr h GLY 102 CO -0.01 -0.03 0.30 0.50 0.00 0.00 0.00 176.54 177.30 3hsr h LYS 103 N 0.30 0.93 -0.27 4.80 1.57 -0.62 -2.82 116.57 120.47 3hsr h LYS 103 Ca 0.25 -0.13 -0.18 0.00 -1.87 0.00 0.00 60.65 58.72 3hsr h LYS 103 Cb 0.30 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.44 3hsr h LYS 103 CO -0.28 0.73 -0.52 0.00 -0.57 0.00 0.00 179.45 178.81 3hsr h ALA 104 N 1.41 0.42 0.00 3.86 0.00 -0.32 -3.20 119.26 121.43 3hsr h ALA 104 Ca 0.23 -0.50 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 3hsr h ALA 104 Cb 0.11 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hsr h ALA 104 CO -0.03 0.62 -0.05 0.97 0.00 0.00 0.00 179.25 180.76 3hsr h ILE 105 N 0.59 0.15 0.00 0.00 6.09 -0.59 -2.70 117.51 121.04 3hsr h ILE 105 Ca 0.01 -0.57 0.00 0.00 -1.37 0.00 0.00 64.86 62.93 3hsr h ILE 105 Cb 1.13 1.49 0.00 0.00 0.47 0.00 0.00 36.82 39.91 3hsr h ILE 105 CO 0.12 0.05 0.00 0.11 -3.07 0.00 0.00 178.15 175.35 3hsr h LYS 106 N 0.00 0.00 0.47 2.19 1.57 -1.49 -2.43 116.57 116.88 3hsr h LYS 106 Ca -0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 3hsr h LYS 106 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3hsr h LYS 106 CO 0.01 0.00 -0.23 1.03 -0.57 0.00 0.00 179.45 179.69 3hsr h SER 107 N 0.00 -0.53 -0.07 0.86 0.87 -1.62 -2.55 113.55 110.51 3hsr h SER 107 Ca 0.00 0.02 -0.05 0.00 -1.23 0.00 0.00 61.79 60.53 3hsr h SER 107 Cb 0.39 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.47 3hsr h SER 107 CO 0.00 -0.36 -0.09 1.55 -0.53 0.00 0.00 176.83 177.40 3hsr h PRO 108 N -0.67 0.35 -0.65 2.24 0.13 -1.76 -2.97 132.00 128.67 3hsr h PRO 108 Ca -0.06 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.97 3hsr h PRO 108 Cb 0.48 -0.05 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 3hsr h PRO 108 CO 0.11 0.45 0.32 -0.07 -0.23 0.00 0.00 178.00 178.59 3hsr h LEU 109 N 0.33 0.82 -1.57 1.56 3.38 -1.47 -1.92 115.31 116.45 3hsr h LEU 109 Ca 0.07 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3hsr h LEU 109 Cb 0.37 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3hsr h LEU 109 CO 0.02 0.69 0.38 0.00 0.09 0.00 0.00 178.44 179.61 3hsr h ALA 110 N 1.44 1.84 0.00 1.53 0.00 -1.28 -0.77 119.26 122.03 3hsr h ALA 110 Ca 0.23 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 3hsr h ALA 110 Cb 0.07 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3hsr h ALA 110 CO -0.03 0.06 -0.03 0.93 0.00 0.00 0.00 179.25 180.18 3hsr h GLU 111 N 0.53 0.00 -0.23 0.00 5.08 -1.41 -3.28 114.58 115.28 3hsr h GLU 111 Ca 0.24 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.54 3hsr h GLU 111 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3hsr h GLU 111 CO -0.07 0.03 -0.11 0.82 -1.00 0.00 0.00 179.01 178.68 3hsr h ILE 112 N 0.00 1.30 -0.72 3.13 2.04 -1.19 -1.30 117.51 120.78 3hsr h ILE 112 Ca -0.00 -1.18 0.08 0.00 1.00 0.00 0.00 64.86 64.77 3hsr h ILE 112 Cb 0.17 1.58 -0.07 0.00 -0.74 0.00 0.00 36.82 37.76 3hsr h ILE 112 CO 0.00 0.36 0.38 0.77 0.00 0.00 0.00 178.15 179.67 3hsr h SER 113 N 0.20 0.52 -0.38 1.72 4.64 -1.73 0.37 113.55 118.89 3hsr h SER 113 Ca 0.05 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.41 3hsr h SER 113 Cb 0.61 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.63 3hsr h SER 113 CO 0.03 0.31 0.20 0.58 -0.87 0.00 0.00 176.83 177.09 3hsr h VAL 114 N 0.66 1.15 -0.61 0.95 2.07 -1.64 -1.47 116.25 117.35 3hsr h VAL 114 Ca 0.34 -0.41 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3hsr h VAL 114 Cb 0.32 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.77 3hsr h VAL 114 CO -0.24 0.16 0.37 0.11 0.02 0.00 0.00 177.57 177.99 3hsr h LYS 115 N 0.49 0.71 -0.51 1.57 1.57 -0.58 0.12 116.57 119.94 3hsr h LYS 115 Ca 0.13 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3hsr h LYS 115 Cb 0.07 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 3hsr h LYS 115 CO -0.02 0.47 0.12 0.28 -0.57 0.00 0.00 179.45 179.73 3hsr h VAL 116 N 0.73 1.24 -0.25 0.50 2.07 -0.75 -2.50 116.25 117.30 3hsr h VAL 116 Ca 0.25 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 3hsr h VAL 116 Cb 0.03 0.82 -0.01 0.00 -1.52 0.00 0.00 31.29 30.62 3hsr h VAL 116 CO -0.11 0.31 -0.01 0.15 0.02 0.00 0.00 177.57 177.94 3hsr h PHE 117 N 0.72 0.48 0.00 1.57 3.57 -0.85 -2.08 116.94 120.35 3hsr h PHE 117 Ca 0.16 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.57 3hsr h PHE 117 Cb 0.35 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.96 3hsr h PHE 117 CO 0.02 0.62 0.00 -0.91 -2.23 0.00 0.00 178.31 175.81 3hsr h ASN 118 N 0.21 0.00 0.30 0.41 2.35 -0.96 -2.67 115.58 115.22 3hsr h ASN 118 Ca 0.07 0.00 -0.32 0.00 -0.55 0.00 0.00 56.30 55.50 3hsr h ASN 118 Cb 0.43 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 38.74 3hsr h ASN 118 CO 0.01 0.00 -1.96 1.21 -1.65 0.00 0.00 177.43 175.04 3hsr n GLU 119 N -2.31 0.66 -2.85 0.81 2.13 -0.82 -4.89 120.64 113.36 3hsr n GLU 119 Ca -0.01 0.19 -0.35 0.00 0.66 0.00 0.00 57.16 57.66 3hsr n GLU 119 Cb 0.08 -1.69 -0.07 0.00 0.27 0.00 0.00 31.44 30.03 3hsr n GLU 119 CO 0.00 0.00 0.00 -0.06 -0.41 0.00 0.00 177.13 176.66 3hsr s PHE 120 N -2.56 3.49 -0.85 4.31 2.99 -0.95 -5.00 117.98 119.41 3hsr s PHE 120 Ca -0.08 1.63 -0.25 0.00 0.00 0.00 0.00 56.93 58.23 3hsr s PHE 120 Cb 0.07 -2.83 0.02 0.00 0.00 0.00 0.00 43.02 40.28 3hsr s PHE 120 CO 0.82 0.07 1.53 -0.80 -0.00 0.00 0.00 175.22 176.84 3hsr s ASN 121 N -1.93 6.00 -0.28 1.36 0.01 -1.26 -4.88 114.94 113.96 3hsr s ASN 121 Ca 0.55 -0.74 -0.17 0.00 -0.71 0.00 0.00 52.86 51.79 3hsr s ASN 121 Cb -0.13 -2.56 0.09 0.00 0.41 0.00 0.00 41.25 39.06 3hsr s ASN 121 CO 0.18 -1.94 0.76 -0.51 -1.51 0.00 0.00 177.10 174.09 3hsr s ILE 122 N 6.61 0.00 0.65 0.60 2.07 -1.26 -5.15 121.20 124.72 3hsr s ILE 122 Ca 0.49 0.00 -0.06 0.00 -1.41 0.00 0.00 60.65 59.67 3hsr s ILE 122 Cb -0.05 -1.00 0.03 0.00 0.13 0.00 0.00 42.46 41.57 3hsr s ILE 122 CO 0.04 0.00 0.96 -0.94 -1.91 0.00 0.00 174.94 173.09 3hsr s SER 123 N 1.47 5.21 0.28 4.50 1.04 -1.26 -4.90 113.70 120.03 3hsr s SER 123 Ca -0.09 0.59 -0.03 0.00 0.48 0.00 0.00 55.95 56.90 3hsr s SER 123 Cb -0.05 -1.41 0.37 0.00 0.10 0.00 0.00 66.02 65.03 3hsr s SER 123 CO -0.17 -1.33 1.94 -0.33 0.98 0.00 0.00 173.24 174.33 3hsr h GLU 124 N -0.39 1.19 -0.35 4.02 5.08 -2.01 -1.12 114.58 120.99 3hsr h GLU 124 Ca -0.45 -0.07 -0.13 0.00 -1.00 0.00 0.00 59.36 57.71 3hsr h GLU 124 Cb 1.29 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.26 3hsr h GLU 124 CO 0.60 0.78 -0.29 0.00 -1.00 0.00 0.00 179.01 179.11 3hsr h ARG 125 N 1.22 0.75 -0.42 2.33 2.47 -1.99 -1.70 114.38 117.05 3hsr h ARG 125 Ca 0.34 -0.34 -0.09 0.00 -1.26 0.00 0.00 59.98 58.64 3hsr h ARG 125 Cb -0.10 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.18 3hsr h ARG 125 CO -0.08 0.95 -0.07 0.93 0.56 0.00 0.00 179.97 182.25 3hsr h GLU 126 N 0.64 0.79 -0.50 0.04 5.08 -1.86 -2.14 114.58 116.62 3hsr h GLU 126 Ca 0.08 -0.29 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 3hsr h GLU 126 Cb 0.82 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.97 3hsr h GLU 126 CO 0.07 0.90 0.24 0.00 -1.00 0.00 0.00 179.01 179.22 3hsr h ALA 127 N 0.86 0.64 -0.97 3.43 0.00 -1.15 -2.02 119.26 120.06 3hsr h ALA 127 Ca 0.11 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.07 3hsr h ALA 127 Cb 0.59 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.28 3hsr h ALA 127 CO 0.04 -0.12 0.64 0.77 0.00 0.00 0.00 179.25 180.57 3hsr h SER 128 N 0.47 1.08 -0.27 0.00 0.02 -1.05 0.84 113.55 114.64 3hsr h SER 128 Ca 0.23 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 3hsr h SER 128 Cb 0.16 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3hsr h SER 128 CO -0.17 0.77 0.00 0.44 -1.14 0.00 0.00 176.83 176.73 3hsr h ASP 129 N 1.27 0.46 -0.50 3.07 3.32 -1.22 -1.19 116.42 121.62 3hsr h ASP 129 Ca 0.37 -0.31 0.01 0.00 0.02 0.00 0.00 57.03 57.12 3hsr h ASP 129 Cb -0.08 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.32 3hsr h ASP 129 CO -0.10 0.65 0.33 0.40 -1.72 0.00 0.00 179.24 178.81 3hsr h ILE 130 N 0.25 1.12 0.58 0.35 2.04 -1.11 -0.79 117.51 119.96 3hsr h ILE 130 Ca 0.08 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.69 3hsr h ILE 130 Cb 0.42 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.87 3hsr h ILE 130 CO 0.01 0.12 -0.44 0.40 0.00 0.00 0.00 178.15 178.24 3hsr h ILE 131 N 0.67 0.12 -0.66 -0.67 2.04 -0.71 0.37 117.51 118.66 3hsr h ILE 131 Ca 0.19 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.17 3hsr h ILE 131 Cb -0.07 0.12 -0.12 0.00 -0.74 0.00 0.00 36.82 36.00 3hsr h ILE 131 CO -0.05 0.00 -0.30 0.78 0.00 0.00 0.00 178.15 178.59 3hsr h ASN 132 N -0.99 -1.06 -0.04 1.72 -0.26 -1.10 -0.13 115.58 113.72 3hsr h ASN 132 Ca -0.07 0.23 -0.12 0.00 -0.56 0.00 0.00 56.30 55.79 3hsr h ASN 132 Cb 0.83 0.56 -0.01 0.00 -1.06 0.00 0.00 38.32 38.64 3hsr h ASN 132 CO 0.02 -0.29 -0.34 0.78 -1.06 0.00 0.00 177.43 176.54 3hsr h ASN 133 N -0.11 0.54 0.72 5.81 2.35 -0.83 -2.81 115.58 121.27 3hsr h ASN 133 Ca 0.27 -0.22 -0.19 0.00 -0.55 0.00 0.00 56.30 55.62 3hsr h ASN 133 Cb 0.55 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 3hsr h ASN 133 CO -0.73 0.85 -0.86 -0.07 -1.65 0.00 0.00 177.43 174.96 3hsr h LEU 134 N 0.45 0.12 -0.01 1.61 3.38 -0.47 -0.81 115.31 119.58 3hsr h LEU 134 Ca 0.05 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3hsr h LEU 134 Cb 0.80 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3hsr h LEU 134 CO 0.07 0.93 -0.54 -0.09 0.09 0.00 0.00 178.44 178.89 3hsr h ARG 135 N 0.05 -0.65 0.09 1.13 2.43 -0.91 -0.95 114.38 115.57 3hsr h ARG 135 Ca -0.03 0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3hsr h ARG 135 Cb 1.50 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 31.17 3hsr h ARG 135 CO 0.12 -0.43 -0.20 -0.97 -1.51 0.00 0.00 179.97 176.98 3hsr h ASN 136 N -0.67 -0.56 -0.86 -3.80 -1.24 -1.47 3.77 115.58 110.75 3hsr h ASN 136 Ca 0.01 0.07 0.25 0.00 0.71 0.00 0.00 56.30 57.34 3hsr h ASN 136 Cb 0.72 0.21 -0.03 0.00 0.73 0.00 0.00 38.32 39.95 3hsr h ASN 136 CO -0.36 -0.28 0.87 0.15 -1.29 0.00 0.00 177.43 176.52 3hsr h PHE 137 N -0.37 0.00 0.00 0.67 3.57 -0.80 -0.75 116.94 119.27 3hsr h PHE 137 Ca 0.03 0.00 -0.32 0.00 3.53 0.00 0.00 57.97 61.21 3hsr h PHE 137 Cb 0.40 0.00 -0.05 0.00 2.79 0.00 0.00 35.95 39.09 3hsr h PHE 137 CO -0.20 0.00 -2.06 1.33 -2.23 0.00 0.00 178.31 175.15 3hsr n VAL 138 N -3.59 1.45 -0.10 1.41 0.24 -0.39 -4.54 118.33 112.82 3hsr n VAL 138 Ca 0.18 -0.23 -0.03 0.00 -2.04 0.00 0.00 64.34 62.23 3hsr n VAL 138 Cb 1.16 -1.98 -0.02 0.00 -1.47 0.00 0.00 33.84 31.53 3hsr n VAL 138 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3hsr n SER 139 N -4.24 -0.25 -0.01 -1.34 2.88 1.24 0.31 113.62 112.21 3hsr n SER 139 Ca -0.41 0.92 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 3hsr n SER 139 Cb 0.77 -0.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.92 3hsr n SER 139 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 3hsr n LYS 140 N -3.42 0.62 0.00 -1.46 2.85 -0.41 -3.61 118.16 112.72 3hsr n LYS 140 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3hsr n LYS 140 Cb 0.06 -1.00 0.00 0.00 -0.65 0.00 0.00 35.03 33.44 3hsr n LYS 140 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3hsr n ASN 141 N -0.49 2.82 0.00 -5.58 4.13 0.54 -5.09 115.26 111.59 3hsr n ASN 141 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3hsr n ASN 141 Cb 0.00 0.56 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 3hsr n ASN 141 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03