#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsr h MET 6 N 0.00 0.33 0.19 -0.41 -1.53 -2.05 -2.25 114.93 109.21 3hsr h MET 6 Ca 0.00 -0.12 -0.31 0.00 -3.44 0.00 0.00 59.70 55.83 3hsr h MET 6 Cb 0.00 -0.02 0.02 0.00 -0.55 0.00 0.00 31.60 31.04 3hsr h MET 6 CO 0.00 0.57 -1.43 1.88 0.14 0.00 0.00 176.91 178.07 3hsr h TYR 7 N 0.07 0.74 -0.37 1.39 0.05 -2.05 -1.60 116.97 115.19 3hsr h TYR 7 Ca 0.05 -0.54 0.07 0.00 0.05 0.00 0.00 58.73 58.37 3hsr h TYR 7 Cb 0.43 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 38.07 3hsr h TYR 7 CO 0.04 1.46 -0.08 1.25 -1.05 0.00 0.00 178.16 179.78 3hsr h LEU 8 N 0.11 -0.32 -0.68 3.88 5.85 -2.01 -1.64 115.31 120.50 3hsr h LEU 8 Ca -0.22 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.47 3hsr h LEU 8 Cb 2.08 0.22 -0.01 0.00 0.37 0.00 0.00 40.66 43.32 3hsr h LEU 8 CO 0.23 -0.11 -0.48 0.77 -0.34 0.00 0.00 178.44 178.51 3hsr h SER 9 N 0.01 0.48 -0.65 1.25 4.64 -1.42 -1.91 113.55 115.95 3hsr h SER 9 Ca 0.18 -0.23 0.07 0.00 -0.47 0.00 0.00 61.79 61.34 3hsr h SER 9 Cb 0.27 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 62.17 3hsr h SER 9 CO -0.37 0.88 0.33 0.50 -0.87 0.00 0.00 176.83 177.30 3hsr h LYS 10 N 0.35 0.58 -0.12 4.77 3.64 -0.81 -1.62 116.57 123.37 3hsr h LYS 10 Ca 0.02 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.23 3hsr h LYS 10 Cb 0.97 -0.13 0.01 0.00 -0.41 0.00 0.00 32.23 32.66 3hsr h LYS 10 CO 0.08 0.39 -0.46 1.96 -2.27 0.00 0.00 179.45 179.15 3hsr h GLN 11 N 0.60 0.52 -0.26 1.90 4.20 -1.14 -1.67 115.11 119.26 3hsr h GLN 11 Ca 0.30 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.61 3hsr h GLN 11 Cb 0.25 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3hsr h GLN 11 CO -0.22 1.02 0.17 1.25 -0.67 0.00 0.00 178.83 180.39 3hsr h LEU 12 N 0.12 0.30 -0.30 1.46 5.85 -1.25 -0.03 115.31 121.46 3hsr h LEU 12 Ca -0.02 -0.02 -0.14 0.00 0.84 0.00 0.00 57.88 58.53 3hsr h LEU 12 Cb 1.09 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 42.04 3hsr h LEU 12 CO 0.10 0.24 -0.38 0.00 -0.34 0.00 0.00 178.44 178.05 3hsr h PHE 14 N 0.54 0.34 -0.57 0.00 3.57 -1.20 0.19 116.94 119.82 3hsr h PHE 14 Ca 0.04 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 3hsr h PHE 14 Cb 0.97 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 39.58 3hsr h PHE 14 CO 0.07 0.44 0.27 -0.07 -2.23 0.00 0.00 178.31 176.80 3hsr h LEU 15 N 0.15 0.72 -0.29 0.59 3.38 -1.01 0.26 115.31 119.11 3hsr h LEU 15 Ca 0.06 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3hsr h LEU 15 Cb 0.27 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hsr h LEU 15 CO 0.00 0.61 -0.16 0.15 0.09 0.00 0.00 178.44 179.13 3hsr h PHE 16 N 0.80 0.72 -0.24 1.13 3.57 -0.89 -1.85 116.94 120.18 3hsr h PHE 16 Ca 0.20 -0.19 0.06 0.00 3.53 0.00 0.00 57.97 61.57 3hsr h PHE 16 Cb 0.08 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 38.60 3hsr h PHE 16 CO 0.01 0.87 -0.19 -0.92 -2.23 0.00 0.00 178.31 175.85 3hsr h TYR 17 N 0.37 -0.47 -0.17 0.41 3.20 -0.02 -1.09 116.97 119.19 3hsr h TYR 17 Ca 0.06 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 3hsr h TYR 17 Cb 0.69 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 39.20 3hsr h TYR 17 CO 0.06 -0.26 0.04 0.28 -1.64 0.00 0.00 178.16 176.64 3hsr h VAL 18 N -0.18 1.20 -0.09 1.81 2.07 -0.91 -1.57 116.25 118.58 3hsr h VAL 18 Ca 0.14 -0.64 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3hsr h VAL 18 Cb 0.39 1.31 -0.00 0.00 -1.52 0.00 0.00 31.29 31.46 3hsr h VAL 18 CO -0.35 0.20 0.02 0.28 0.02 0.00 0.00 177.57 177.74 3hsr h SER 19 N 0.08 0.14 -0.39 0.57 0.02 -1.21 -1.59 113.55 111.15 3hsr h SER 19 Ca 0.05 -0.24 -0.04 0.00 -0.84 0.00 0.00 61.79 60.72 3hsr h SER 19 Cb 0.26 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.75 3hsr h SER 19 CO 0.00 0.34 0.08 -1.28 -1.14 0.00 0.00 176.83 174.83 3hsr h SER 20 N -0.08 0.61 -0.34 3.07 0.87 -1.24 -1.98 113.55 114.47 3hsr h SER 20 Ca 0.03 -0.25 -0.00 0.00 -1.23 0.00 0.00 61.79 60.34 3hsr h SER 20 Cb 0.26 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3hsr h SER 20 CO 0.00 0.70 0.20 0.50 -0.53 0.00 0.00 176.83 177.71 3hsr h LYS 21 N 0.50 0.46 -0.18 2.24 3.64 -1.15 -1.55 116.57 120.53 3hsr h LYS 21 Ca 0.12 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 3hsr h LYS 21 Cb 0.34 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.05 3hsr h LYS 21 CO 0.00 0.35 -0.41 0.93 -2.27 0.00 0.00 179.45 178.05 3hsr h GLU 22 N 0.44 0.41 -0.08 1.90 4.39 -1.14 0.51 114.58 121.00 3hsr h GLU 22 Ca 0.12 -0.20 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 3hsr h GLU 22 Cb 0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.66 3hsr h GLU 22 CO -0.02 0.75 -0.01 0.82 -1.16 0.00 0.00 179.01 179.40 3hsr h ILE 23 N 0.34 1.26 -0.63 3.13 2.04 -1.22 -2.40 117.51 120.03 3hsr h ILE 23 Ca 0.03 -0.83 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 3hsr h ILE 23 Cb 0.87 1.65 -0.03 0.00 -0.74 0.00 0.00 36.82 38.57 3hsr h ILE 23 CO 0.07 0.23 0.26 0.40 0.00 0.00 0.00 178.15 179.11 3hsr h ILE 24 N -0.14 1.22 -0.71 -0.67 2.04 -1.19 -2.15 117.51 115.91 3hsr h ILE 24 Ca 0.02 -0.67 -0.02 0.00 1.00 0.00 0.00 64.86 65.20 3hsr h ILE 24 Cb 0.37 0.46 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 3hsr h ILE 24 CO 0.01 0.27 0.37 0.50 0.00 0.00 0.00 178.15 179.30 3hsr h LYS 25 N 0.90 0.99 -0.31 2.37 3.64 -0.80 0.84 116.57 124.19 3hsr h LYS 25 Ca 0.21 -0.12 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 3hsr h LYS 25 Cb 0.16 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 3hsr h LYS 25 CO -0.02 0.74 0.04 0.87 -2.27 0.00 0.00 179.45 178.81 3hsr h LYS 26 N 1.00 0.53 -0.61 1.90 1.57 -0.87 -0.91 116.57 119.18 3hsr h LYS 26 Ca 0.25 -0.15 0.03 0.00 -1.87 0.00 0.00 60.65 58.91 3hsr h LYS 26 Cb 0.05 -0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 3hsr h LYS 26 CO -0.04 0.63 0.36 1.88 -0.57 0.00 0.00 179.45 181.72 3hsr h TYR 27 N 0.35 0.68 -0.87 -1.35 -1.99 -1.13 -2.49 116.97 110.17 3hsr h TYR 27 Ca 0.09 0.02 0.03 0.00 2.00 0.00 0.00 58.73 60.87 3hsr h TYR 27 Cb 0.37 -0.22 -0.05 0.00 2.00 0.00 0.00 36.73 38.83 3hsr h TYR 27 CO 0.03 0.38 0.57 1.15 -0.00 0.00 0.00 178.16 180.29 3hsr h THR 28 N 0.71 1.16 -0.43 -2.88 2.02 -0.62 -0.17 112.91 112.70 3hsr h THR 28 Ca 0.25 -0.38 0.03 0.00 0.77 0.00 0.00 66.41 67.08 3hsr h THR 28 Cb 0.05 -0.04 -0.03 0.00 -1.74 0.00 0.00 68.15 66.38 3hsr h THR 28 CO -0.11 0.20 0.22 0.78 0.37 0.00 0.00 175.52 176.98 3hsr h ASN 29 N 1.10 0.34 0.61 4.18 2.35 -0.72 -2.57 115.58 120.87 3hsr h ASN 29 Ca 0.34 0.02 -0.10 0.00 -0.55 0.00 0.00 56.30 56.01 3hsr h ASN 29 Cb -0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 3hsr h ASN 29 CO -0.10 0.24 -0.49 1.88 -1.65 0.00 0.00 177.43 177.32 3hsr h TYR 30 N 0.45 0.00 0.00 1.19 0.05 -1.17 -3.20 116.97 114.29 3hsr h TYR 30 Ca 0.18 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.96 3hsr h TYR 30 Cb 0.07 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.81 3hsr h TYR 30 CO -0.09 0.49 0.00 -0.07 -1.05 0.00 0.00 178.16 177.43 3hsr h LEU 31 N 0.00 0.00 -0.93 3.88 3.38 -0.66 -3.20 115.31 117.77 3hsr h LEU 31 Ca -0.00 0.00 0.18 0.00 0.09 0.00 0.00 57.88 58.15 3hsr h LEU 31 Cb 0.92 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.57 3hsr h LEU 31 CO 0.06 0.00 0.51 0.11 0.09 0.00 0.00 178.44 179.21 3hsr h LYS 32 N 0.00 0.62 -0.43 1.13 1.57 -1.48 0.42 116.57 118.41 3hsr h LYS 32 Ca 0.00 -0.04 0.12 0.00 -1.87 0.00 0.00 60.65 58.87 3hsr h LYS 32 Cb 0.80 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3hsr h LYS 32 CO 0.00 0.41 0.33 1.49 -0.57 0.00 0.00 179.45 181.11 3hsr h GLU 33 N 0.64 0.00 -0.09 3.15 4.81 -1.78 -1.30 114.58 120.01 3hsr h GLU 33 Ca 0.54 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.77 3hsr h GLU 33 Cb 0.86 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.24 3hsr h GLU 33 CO -0.41 0.00 0.00 0.66 -0.73 0.00 0.00 179.01 178.53 3hsr n TYR 34 N -4.25 0.09 -2.05 0.92 4.01 0.06 -4.97 117.16 110.97 3hsr n TYR 34 Ca 0.07 -0.05 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 3hsr n TYR 34 Cb 0.53 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.54 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 1.27 -3.45 -4.85 7.72 2.03 -0.49 -4.99 116.55 113.78 3hsr n ASP 35 Ca 0.14 0.24 -0.37 0.00 0.52 0.00 0.00 54.79 55.32 3hsr n ASP 35 Cb 0.56 -3.05 -0.06 0.00 -0.72 0.00 0.00 41.12 37.84 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 -4.85 4.43 0.58 -2.67 1.43 -0.90 -5.00 118.68 111.71 3hsr s LEU 36 Ca 0.00 0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 53.85 3hsr s LEU 36 Cb 0.00 -2.54 0.00 0.00 0.03 0.00 0.00 46.19 43.69 3hsr s LEU 36 CO 0.00 0.32 0.89 0.42 0.23 0.00 0.00 176.35 178.21 3hsr s THR 37 N -1.13 3.76 0.15 5.49 -4.23 -1.26 -4.47 115.64 113.95 3hsr s THR 37 Ca 0.23 0.03 -0.17 0.00 -1.18 0.00 0.00 61.69 60.60 3hsr s THR 37 Cb -0.15 -3.49 0.00 0.00 1.34 0.00 0.00 72.50 70.20 3hsr s THR 37 CO 0.12 -0.50 1.77 0.22 -0.54 0.00 0.00 174.62 175.68 3hsr h TYR 38 N -0.15 0.27 -0.58 3.99 3.20 -1.94 -1.83 116.97 119.93 3hsr h TYR 38 Ca -0.45 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.39 3hsr h TYR 38 Cb 1.25 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 3hsr h TYR 38 CO 0.48 0.14 0.21 1.15 -1.64 0.00 0.00 178.16 178.50 3hsr h THR 39 N 0.31 1.22 -0.61 1.81 2.02 -1.99 -1.68 112.91 113.99 3hsr h THR 39 Ca 0.14 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 3hsr h THR 39 Cb 0.08 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 3hsr h THR 39 CO -0.12 0.27 0.24 1.23 0.37 0.00 0.00 175.52 177.52 3hsr h GLY 40 N 0.97 0.95 0.93 2.16 0.00 -1.78 -1.62 103.07 104.68 3hsr h GLY 40 Ca 0.20 -0.48 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3hsr h GLY 40 CO -0.01 0.46 -0.18 -1.82 0.00 0.00 0.00 176.54 174.99 3hsr h TYR 41 N 0.87 -0.46 -0.79 5.60 3.20 -0.79 -1.28 116.97 123.33 3hsr h TYR 41 Ca 0.21 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.22 3hsr h TYR 41 Cb 0.17 0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.49 3hsr h TYR 41 CO 0.01 -0.24 0.32 0.82 -1.64 0.00 0.00 178.16 177.44 3hsr h ILE 42 N -0.57 0.62 0.02 1.81 1.08 -1.07 0.10 117.51 119.51 3hsr h ILE 42 Ca -0.05 -0.15 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 3hsr h ILE 42 Cb 0.42 0.14 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 3hsr h ILE 42 CO 0.08 0.08 -0.01 0.58 -0.69 0.00 0.00 178.15 178.19 3hsr h VAL 43 N 0.44 1.05 -0.86 1.67 2.07 -1.06 -2.68 116.25 116.88 3hsr h VAL 43 Ca 0.45 -0.22 0.12 0.00 0.82 0.00 0.00 66.70 67.87 3hsr h VAL 43 Cb 0.71 1.20 -0.08 0.00 -1.52 0.00 0.00 31.29 31.60 3hsr h VAL 43 CO -0.43 0.06 0.48 -0.07 0.02 0.00 0.00 177.57 177.63 3hsr h LEU 44 N -0.12 0.65 0.00 2.57 3.38 -0.58 -1.50 115.31 119.71 3hsr h LEU 44 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3hsr h LEU 44 Cb 0.11 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3hsr h LEU 44 CO 0.00 0.33 0.00 0.23 0.09 0.00 0.00 178.44 179.10 3hsr n MET 45 N -4.78 0.33 -0.00 1.13 2.81 0.29 -2.48 117.12 114.42 3hsr n MET 45 Ca 0.16 0.09 0.10 0.00 -1.81 0.00 0.00 57.70 56.24 3hsr n MET 45 Cb 0.35 -1.50 -0.13 0.00 -0.71 0.00 0.00 33.22 31.23 3hsr n MET 45 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3hsr n ALA 46 N -1.23 4.36 -2.62 3.04 0.00 -0.57 -4.85 120.51 118.64 3hsr n ALA 46 Ca 0.10 -0.58 -0.38 0.00 0.00 0.00 0.00 53.44 52.58 3hsr n ALA 46 Cb 0.13 -0.76 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 3hsr n ALA 46 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3hsr s ILE 47 N -3.08 5.25 0.53 0.00 1.01 -1.03 -5.07 121.20 118.81 3hsr s ILE 47 Ca 0.05 0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.93 3hsr s ILE 47 Cb 0.15 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.94 3hsr s ILE 47 CO 0.87 0.24 1.01 -1.61 0.00 0.00 0.00 174.94 175.44 3hsr s GLU 48 N 1.66 3.79 0.30 2.79 0.41 -1.26 -4.91 118.70 121.48 3hsr s GLU 48 Ca 0.12 1.04 0.05 0.00 -0.41 0.00 0.00 54.97 55.78 3hsr s GLU 48 Cb -0.15 -2.11 0.79 0.00 -1.78 0.00 0.00 34.13 30.88 3hsr s GLU 48 CO 0.09 -0.41 1.69 -0.91 -0.49 0.00 0.00 175.26 175.22 3hsr h ASN 49 N 0.86 0.33 -0.25 -0.19 4.21 -1.97 -0.44 115.58 118.11 3hsr h ASN 49 Ca -0.47 0.16 0.00 0.00 1.21 0.00 0.00 56.30 57.20 3hsr h ASN 49 Cb 1.20 0.15 0.00 0.00 -1.12 0.00 0.00 38.32 38.54 3hsr h ASN 49 CO 0.60 -0.04 0.00 -0.67 -1.29 0.00 0.00 177.43 176.04 3hsr n ASP 50 N -5.06 2.92 -4.84 5.81 -0.08 -1.26 -4.64 116.55 109.39 3hsr n ASP 50 Ca 0.24 -2.24 -0.38 0.00 -1.51 0.00 0.00 54.79 50.89 3hsr n ASP 50 Cb 0.71 -0.26 -0.06 0.00 2.34 0.00 0.00 41.12 43.85 3hsr n ASP 50 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 3hsr s GLU 51 N -1.43 3.86 -0.22 -0.67 2.12 -0.18 -5.04 118.70 117.14 3hsr s GLU 51 Ca 0.23 0.34 -0.07 0.00 0.36 0.00 0.00 54.97 55.84 3hsr s GLU 51 Cb 0.15 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.29 3hsr s GLU 51 CO 0.11 0.70 0.05 0.15 -0.54 0.00 0.00 175.26 175.74 3hsr s LYS 52 N -1.07 3.74 -0.03 4.30 1.02 -1.26 -4.36 119.74 122.07 3hsr s LYS 52 Ca 0.23 -0.45 0.01 0.00 0.02 0.00 0.00 55.97 55.78 3hsr s LYS 52 Cb -0.16 -3.23 0.01 0.00 -0.52 0.00 0.00 37.83 33.93 3hsr s LYS 52 CO 0.12 -0.01 -0.05 -1.17 -0.92 0.00 0.00 175.35 173.32 3hsr s LEU 53 N 1.12 1.52 0.35 3.17 2.96 -0.05 -4.90 118.68 122.84 3hsr s LEU 53 Ca 0.04 -0.13 -0.28 0.00 -0.22 0.00 0.00 54.13 53.55 3hsr s LEU 53 Cb -0.14 -0.42 -0.09 0.00 0.50 0.00 0.00 46.19 46.03 3hsr s LEU 53 CO 0.03 -0.02 1.23 0.21 -1.32 0.00 0.00 176.35 176.48 3hsr s ASN 54 N 0.62 6.77 0.40 3.68 2.47 -1.26 0.17 114.94 127.79 3hsr s ASN 54 Ca -0.08 2.51 0.08 0.00 0.42 0.00 0.00 52.86 55.79 3hsr s ASN 54 Cb -0.11 -2.63 0.87 0.00 -1.45 0.00 0.00 41.25 37.92 3hsr s ASN 54 CO 0.00 -0.52 2.01 -0.29 -3.72 0.00 0.00 177.10 174.59 3hsr h ILE 55 N 2.81 1.03 -0.22 -5.21 2.10 -1.93 0.24 117.51 116.33 3hsr h ILE 55 Ca -0.48 -0.20 -0.02 0.00 1.08 0.00 0.00 64.86 65.24 3hsr h ILE 55 Cb 1.23 0.41 -0.01 0.00 -1.09 0.00 0.00 36.82 37.36 3hsr h ILE 55 CO 0.65 0.10 0.06 0.11 -1.08 0.00 0.00 178.15 177.99 3hsr h LYS 56 N 0.57 0.34 -0.63 2.19 1.79 -1.92 0.11 116.57 119.02 3hsr h LYS 56 Ca 0.23 -0.08 0.06 0.00 -2.18 0.00 0.00 60.65 58.68 3hsr h LYS 56 Cb 0.17 -0.05 -0.06 0.00 -1.58 0.00 0.00 32.23 30.72 3hsr h LYS 56 CO -0.06 0.45 0.34 0.87 -1.08 0.00 0.00 179.45 179.97 3hsr h LYS 57 N 0.17 0.60 -0.50 3.15 1.57 -1.54 -1.86 116.57 118.16 3hsr h LYS 57 Ca 0.07 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3hsr h LYS 57 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3hsr h LYS 57 CO 0.00 0.40 0.19 1.25 -0.57 0.00 0.00 179.45 180.72 3hsr h LEU 58 N 0.62 0.70 -1.27 2.94 5.85 -0.32 -2.63 115.31 121.19 3hsr h LEU 58 Ca 0.29 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 3hsr h LEU 58 Cb 0.20 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3hsr h LEU 58 CO -0.19 0.68 0.33 1.23 -0.34 0.00 0.00 178.44 180.15 3hsr h GLY 59 N 0.67 0.88 1.01 3.75 0.00 -0.42 -2.37 103.07 106.59 3hsr h GLY 59 Ca 0.17 -0.38 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3hsr h GLY 59 CO -0.01 0.37 0.36 0.83 0.00 0.00 0.00 176.54 178.09 3hsr h GLU 60 N 0.83 1.04 -0.62 4.80 5.08 -1.15 0.29 114.58 124.84 3hsr h GLU 60 Ca 0.21 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 3hsr h GLU 60 Cb 0.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.05 3hsr h GLU 60 CO -0.03 0.80 0.32 -0.09 -1.00 0.00 0.00 179.01 179.01 3hsr h ARG 61 N 1.01 0.87 -0.36 2.33 2.43 -1.08 -2.98 114.38 116.61 3hsr h ARG 61 Ca 0.25 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3hsr h ARG 61 Cb 0.10 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 3hsr h ARG 61 CO -0.03 0.65 0.00 1.33 -1.51 0.00 0.00 179.97 180.41 3hsr n VAL 62 N -4.37 1.21 -3.82 0.20 0.24 -0.97 -4.99 118.33 105.84 3hsr n VAL 62 Ca 0.06 -1.13 -0.28 0.00 -2.04 0.00 0.00 64.34 60.95 3hsr n VAL 62 Cb 0.11 0.38 0.04 0.00 -1.47 0.00 0.00 33.84 32.90 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 0.43 -2.41 -4.87 6.34 3.72 0.80 -5.00 117.46 116.47 3hsr n PHE 63 Ca 0.14 0.93 -0.29 0.00 -0.05 0.00 0.00 57.45 58.18 3hsr n PHE 63 Cb 0.51 -4.28 -0.15 0.00 -0.94 0.00 0.00 39.48 34.62 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 -7.22 2.16 0.88 4.37 1.43 0.04 -5.02 118.68 115.31 3hsr s LEU 64 Ca 0.58 -0.57 -0.11 0.00 -1.03 0.00 0.00 54.13 53.00 3hsr s LEU 64 Cb -0.28 -1.22 0.17 0.00 0.03 0.00 0.00 46.19 44.89 3hsr s LEU 64 CO 0.80 0.24 1.22 1.51 0.23 0.00 0.00 176.35 180.35 3hsr s ASP 65 N -1.19 3.57 0.17 2.29 -4.77 -1.26 -4.35 116.67 111.13 3hsr s ASP 65 Ca 0.11 0.11 0.05 0.00 -3.30 0.00 0.00 52.55 49.52 3hsr s ASP 65 Cb -0.10 -0.29 0.00 0.00 -1.09 0.00 0.00 42.92 41.45 3hsr s ASP 65 CO 0.02 -2.42 1.39 0.28 0.70 0.00 0.00 175.17 175.14 3hsr h SER 66 N -1.27 0.14 -0.06 2.11 0.02 -1.98 -1.95 113.55 110.55 3hsr h SER 66 Ca -0.42 -0.12 -0.01 0.00 -0.84 0.00 0.00 61.79 60.40 3hsr h SER 66 Cb 1.25 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.74 3hsr h SER 66 CO 0.40 0.94 0.02 1.23 -1.14 0.00 0.00 176.83 178.28 3hsr h GLY 67 N 2.15 0.15 0.90 -3.77 0.00 -2.00 -0.51 103.07 99.98 3hsr h GLY 67 Ca -0.03 -0.06 -0.34 0.00 0.00 0.00 0.00 47.33 46.90 3hsr h GLY 67 CO 0.12 0.06 -1.77 -0.84 0.00 0.00 0.00 176.54 174.11 3hsr h THR 68 N 0.14 0.88 -0.17 4.70 2.02 -1.89 -3.35 112.91 115.24 3hsr h THR 68 Ca 0.04 -2.54 -0.11 0.00 0.77 0.00 0.00 66.41 64.57 3hsr h THR 68 Cb 0.07 2.66 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 3hsr h THR 68 CO -0.00 0.84 -0.37 -0.07 0.37 0.00 0.00 175.52 176.29 3hsr h LEU 69 N 0.08 0.37 0.05 2.58 3.38 -1.17 -3.32 115.31 117.28 3hsr h LEU 69 Ca -0.34 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.51 3hsr h LEU 69 Cb 2.06 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 42.67 3hsr h LEU 69 CO 0.14 0.71 -0.22 0.74 0.09 0.00 0.00 178.44 179.90 3hsr h THR 70 N 0.30 0.50 -0.47 0.22 2.02 -1.23 0.42 112.91 114.67 3hsr h THR 70 Ca 0.03 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 3hsr h THR 70 Cb 0.79 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3hsr h THR 70 CO 0.06 0.00 -0.01 1.55 0.37 0.00 0.00 175.52 177.49 3hsr h PRO 71 N -0.37 0.78 -0.09 6.66 0.13 -1.77 -1.79 132.00 135.55 3hsr h PRO 71 Ca 0.05 -0.21 -0.01 0.00 -0.87 0.00 0.00 66.00 64.95 3hsr h PRO 71 Cb 0.43 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.46 3hsr h PRO 71 CO -0.17 0.80 0.01 -0.07 -0.23 0.00 0.00 178.00 178.34 3hsr h LEU 72 N 0.73 0.15 -1.30 1.56 3.38 -1.46 -2.04 115.31 116.32 3hsr h LEU 72 Ca 0.14 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3hsr h LEU 72 Cb 0.46 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3hsr h LEU 72 CO 0.02 0.38 0.21 -0.07 0.09 0.00 0.00 178.44 179.07 3hsr h LEU 73 N -0.09 0.63 -0.59 1.67 3.38 -0.09 -1.51 115.31 118.71 3hsr h LEU 73 Ca 0.03 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3hsr h LEU 73 Cb 0.29 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3hsr h LEU 73 CO 0.00 0.55 -0.09 0.11 0.09 0.00 0.00 178.44 179.10 3hsr h LYS 74 N 0.69 1.02 -0.02 1.13 1.57 -1.17 -0.77 116.57 119.03 3hsr h LYS 74 Ca 0.17 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3hsr h LYS 74 Cb 0.11 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3hsr h LYS 74 CO -0.02 1.06 -0.00 0.87 -0.57 0.00 0.00 179.45 180.78 3hsr h LYS 75 N 0.91 0.00 -0.42 3.15 1.57 -1.16 -0.67 116.57 119.96 3hsr h LYS 75 Ca 0.14 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3hsr h LYS 75 Cb 0.66 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 3hsr h LYS 75 CO 0.05 0.00 0.18 -0.07 -0.57 0.00 0.00 179.45 179.04 3hsr h LEU 76 N 0.00 0.53 -0.26 2.94 3.38 -1.10 0.46 115.31 121.27 3hsr h LEU 76 Ca 0.01 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3hsr h LEU 76 Cb 0.01 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3hsr h LEU 76 CO -0.02 0.48 -0.03 -0.08 0.09 0.00 0.00 178.44 178.88 3hsr h GLU 77 N 0.59 0.47 0.00 1.13 4.81 -0.93 -0.18 114.58 120.48 3hsr h GLU 77 Ca 0.15 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 3hsr h GLU 77 Cb 0.10 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3hsr h GLU 77 CO -0.02 0.66 -0.11 0.87 -0.73 0.00 0.00 179.01 179.69 3hsr h LYS 78 N 0.23 0.00 0.00 1.92 1.79 0.11 0.14 116.57 120.76 3hsr h LYS 78 Ca 0.07 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 3hsr h LYS 78 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3hsr h LYS 78 CO 0.02 0.11 0.00 1.63 -1.08 0.00 0.00 179.45 180.13 3hsr n LYS 79 N -4.33 0.99 -3.30 3.15 5.02 0.03 -4.92 118.16 114.80 3hsr n LYS 79 Ca -0.03 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.03 3hsr n LYS 79 Cb 0.19 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 33.90 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 -0.85 -6.13 -0.09 4.39 9.92 0.49 -4.90 116.55 119.39 3hsr n ASP 80 Ca 0.16 -0.41 -0.08 0.00 -0.53 0.00 0.00 54.79 53.93 3hsr n ASP 80 Cb 0.08 -4.89 -0.14 0.00 -0.64 0.00 0.00 41.12 35.52 3hsr n ASP 80 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 3hsr n TYR 81 N -4.71 0.00 -4.17 1.24 4.01 -0.10 -4.09 117.16 109.34 3hsr n TYR 81 Ca -0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.58 3hsr n TYR 81 Cb 0.59 -0.87 -0.10 0.00 -0.31 0.00 0.00 39.34 38.65 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 0.69 0.02 -0.72 -7.23 -1.18 -1.16 120.40 108.34 3hsr s VAL 82 Ca -0.09 -1.93 0.08 0.00 -1.81 0.00 0.00 61.98 58.23 3hsr s VAL 82 Cb 0.06 -1.68 -0.02 0.00 0.56 0.00 0.00 36.38 35.30 3hsr s VAL 82 CO 0.75 -0.87 -0.24 0.54 -0.31 0.00 0.00 175.10 174.97 3hsr s VAL 83 N -3.62 1.90 -0.14 1.32 0.11 0.92 -4.26 120.40 116.62 3hsr s VAL 83 Ca 0.12 -1.20 -0.03 0.00 -2.93 0.00 0.00 61.98 57.93 3hsr s VAL 83 Cb 0.05 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 33.26 3hsr s VAL 83 CO -0.05 0.37 -0.03 -0.13 -3.33 0.00 0.00 175.10 171.93 3hsr s ARG 84 N -0.99 3.55 0.00 1.54 0.52 -1.26 -1.83 118.95 120.48 3hsr s ARG 84 Ca 0.10 -0.50 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 3hsr s ARG 84 Cb -0.09 -2.89 0.00 0.00 0.52 0.00 0.00 34.95 32.49 3hsr s ARG 84 CO 0.01 0.33 0.09 2.41 0.02 0.00 0.00 175.30 178.15 3hsr n THR 85 N 3.28 0.00 -3.72 0.02 -1.04 -1.26 -4.96 114.28 106.60 3hsr n THR 85 Ca -0.17 -0.22 -0.37 0.00 -2.04 0.00 0.00 64.05 61.25 3hsr n THR 85 Cb 0.53 1.23 -0.11 0.00 -1.82 0.00 0.00 70.33 70.15 3hsr n THR 85 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3hsr s LEU 94 N -0.51 3.80 -0.15 -4.42 1.43 -1.26 -4.76 118.68 112.80 3hsr s LEU 94 Ca 0.00 -0.05 -0.03 0.00 -1.03 0.00 0.00 54.13 53.02 3hsr s LEU 94 Cb 0.00 -2.03 -0.02 0.00 0.03 0.00 0.00 46.19 44.17 3hsr s LEU 94 CO 0.00 0.00 -0.06 -1.10 0.23 0.00 0.00 176.35 175.43 3hsr s GLN 95 N 1.41 3.60 -0.15 1.70 -1.52 -1.26 -2.99 119.66 120.46 3hsr s GLN 95 Ca 0.06 -0.55 -0.04 0.00 -1.95 0.00 0.00 55.36 52.88 3hsr s GLN 95 Cb -0.15 -2.85 -0.03 0.00 -0.22 0.00 0.00 33.01 29.76 3hsr s GLN 95 CO 0.06 0.25 -0.01 0.42 -0.25 0.00 0.00 175.29 175.76 3hsr s ILE 96 N 0.32 4.19 0.05 1.08 1.01 0.13 -4.32 121.20 123.66 3hsr s ILE 96 Ca -0.05 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 60.26 3hsr s ILE 96 Cb -0.14 -2.83 -0.00 0.00 0.01 0.00 0.00 42.46 39.49 3hsr s ILE 96 CO 0.03 0.51 0.17 -0.94 0.00 0.00 0.00 174.94 174.71 3hsr s SER 97 N 0.11 0.09 0.43 3.58 1.04 -0.76 -0.87 113.70 117.33 3hsr s SER 97 Ca 0.01 -0.47 -0.25 0.00 0.48 0.00 0.00 55.95 55.72 3hsr s SER 97 Cb -0.13 0.29 -0.08 0.00 0.10 0.00 0.00 66.02 66.19 3hsr s SER 97 CO 0.02 -0.58 1.28 -0.76 0.98 0.00 0.00 173.24 174.18 3hsr s LEU 98 N -2.28 4.13 0.96 2.42 1.43 -1.26 -0.06 118.68 124.02 3hsr s LEU 98 Ca -0.03 2.60 -0.16 0.00 -1.03 0.00 0.00 54.13 55.51 3hsr s LEU 98 Cb 0.00 -4.02 0.19 0.00 0.03 0.00 0.00 46.19 42.40 3hsr s LEU 98 CO -0.06 -0.96 1.29 0.42 0.23 0.00 0.00 176.35 177.28 3hsr s THR 99 N -1.32 1.98 0.35 5.49 -4.23 -0.31 -4.66 115.64 112.93 3hsr s THR 99 Ca 0.60 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 61.14 3hsr s THR 99 Cb -0.36 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 70.74 3hsr s THR 99 CO 0.46 0.00 1.97 -0.33 -0.54 0.00 0.00 174.62 176.18 3hsr h GLU 100 N -1.64 0.75 -0.36 3.99 4.39 -1.89 -2.17 114.58 117.65 3hsr h GLU 100 Ca -0.45 -0.07 -0.15 0.00 0.34 0.00 0.00 59.36 59.03 3hsr h GLU 100 Cb 1.25 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 29.74 3hsr h GLU 100 CO 0.41 0.55 -0.39 0.37 -1.16 0.00 0.00 179.01 178.80 3hsr h GLN 101 N 0.76 0.86 -0.49 2.33 4.15 -1.90 -1.57 115.11 119.25 3hsr h GLN 101 Ca 0.20 -0.45 0.02 0.00 0.77 0.00 0.00 58.65 59.19 3hsr h GLN 101 Cb 0.02 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.69 3hsr h GLN 101 CO -0.03 1.09 0.29 0.78 -1.93 0.00 0.00 178.83 179.02 3hsr h GLY 102 N 0.85 0.68 1.10 2.39 0.00 -1.63 -2.24 103.07 104.23 3hsr h GLY 102 Ca 0.06 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.21 3hsr h GLY 102 CO 0.09 0.18 0.53 0.50 0.00 0.00 0.00 176.54 177.84 3hsr h LYS 103 N 0.57 0.97 0.00 4.80 1.57 -1.20 -2.68 116.57 120.60 3hsr h LYS 103 Ca 0.19 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3hsr h LYS 103 Cb 0.02 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 3hsr h LYS 103 CO -0.09 0.64 -0.22 0.00 -0.57 0.00 0.00 179.45 179.21 3hsr h ALA 104 N 1.53 1.16 -0.01 3.86 0.00 -0.71 -2.84 119.26 122.25 3hsr h ALA 104 Ca 0.32 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hsr h ALA 104 Cb 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3hsr h ALA 104 CO -0.09 0.27 -0.58 0.44 0.00 0.00 0.00 179.25 179.29 3hsr n ILE 105 N -3.58 0.00 -0.22 0.00 -5.35 -0.96 -4.47 119.36 104.78 3hsr n ILE 105 Ca -0.01 -0.14 0.02 0.00 -0.27 0.00 0.00 62.75 62.35 3hsr n ILE 105 Cb 0.36 0.94 0.14 0.00 -1.74 0.00 0.00 39.64 39.33 3hsr n ILE 105 CO 0.00 0.00 0.00 0.50 -1.76 0.00 0.00 176.55 175.29 3hsr h LYS 106 N 1.34 0.36 0.91 6.28 1.63 -1.28 0.77 116.57 126.57 3hsr h LYS 106 Ca 0.00 -0.02 -0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3hsr h LYS 106 Cb 0.62 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.17 3hsr h LYS 106 CO 0.00 0.24 -0.49 0.77 -3.45 0.00 0.00 179.45 176.51 3hsr h SER 107 N 0.37 -1.21 -0.73 4.20 0.02 -1.78 -1.04 113.55 113.38 3hsr h SER 107 Ca 0.35 0.06 0.01 0.00 -0.84 0.00 0.00 61.79 61.36 3hsr h SER 107 Cb 0.51 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.35 3hsr h SER 107 CO -0.38 -0.79 0.48 1.55 -1.14 0.00 0.00 176.83 176.55 3hsr h PRO 108 N -1.29 0.96 -0.32 3.45 0.13 -1.77 -1.23 132.00 131.93 3hsr h PRO 108 Ca -0.12 -0.06 0.05 0.00 -0.87 0.00 0.00 66.00 65.00 3hsr h PRO 108 Cb 1.01 -0.22 -0.05 0.00 0.13 0.00 0.00 31.00 31.88 3hsr h PRO 108 CO 0.17 0.64 0.04 -0.07 -0.23 0.00 0.00 178.00 178.54 3hsr h LEU 109 N 0.99 -0.04 -0.69 1.56 3.38 -0.73 -0.69 115.31 119.08 3hsr h LEU 109 Ca 0.27 0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.38 3hsr h LEU 109 Cb -0.11 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 40.66 3hsr h LEU 109 CO -0.06 0.01 0.35 0.00 0.09 0.00 0.00 178.44 178.84 3hsr h ALA 110 N 1.25 0.94 0.00 1.53 0.00 -0.55 -1.96 119.26 120.47 3hsr h ALA 110 Ca 0.15 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3hsr h ALA 110 Cb 0.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hsr h ALA 110 CO -0.22 -0.03 -0.04 0.93 0.00 0.00 0.00 179.25 179.89 3hsr h GLU 111 N 0.61 0.00 -0.93 0.00 5.08 -0.00 -0.13 114.58 119.21 3hsr h GLU 111 Ca 0.33 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.84 3hsr h GLU 111 Cb 0.32 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.49 3hsr h GLU 111 CO -0.25 0.04 0.59 0.82 -1.00 0.00 0.00 179.01 179.22 3hsr h ILE 112 N 0.00 0.83 -0.86 3.13 2.04 -0.41 -1.68 117.51 120.56 3hsr h ILE 112 Ca -0.00 -0.26 0.05 0.00 1.00 0.00 0.00 64.86 65.65 3hsr h ILE 112 Cb 0.40 0.02 -0.06 0.00 -0.74 0.00 0.00 36.82 36.44 3hsr h ILE 112 CO 0.01 0.14 0.54 -1.28 0.00 0.00 0.00 178.15 177.55 3hsr h SER 113 N 0.75 0.87 -0.23 1.72 0.87 -1.11 0.26 113.55 116.68 3hsr h SER 113 Ca 0.47 0.01 -0.05 0.00 -1.23 0.00 0.00 61.79 60.99 3hsr h SER 113 Cb 0.71 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 3hsr h SER 113 CO -0.23 0.58 -0.06 0.58 -0.53 0.00 0.00 176.83 177.17 3hsr h VAL 114 N 1.02 1.28 -0.48 2.23 2.07 -1.43 -1.97 116.25 118.97 3hsr h VAL 114 Ca 0.36 -1.06 0.08 0.00 0.82 0.00 0.00 66.70 66.91 3hsr h VAL 114 Cb 0.10 1.50 -0.07 0.00 -1.52 0.00 0.00 31.29 31.30 3hsr h VAL 114 CO -0.15 0.33 0.08 0.11 0.02 0.00 0.00 177.57 177.96 3hsr h LYS 115 N 0.19 0.21 -0.19 1.57 1.57 -0.85 0.13 116.57 119.20 3hsr h LYS 115 Ca 0.06 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3hsr h LYS 115 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 3hsr h LYS 115 CO 0.02 0.14 0.07 0.28 -0.57 0.00 0.00 179.45 179.39 3hsr h VAL 116 N 0.21 1.17 -0.66 0.50 2.07 -0.94 -2.52 116.25 116.09 3hsr h VAL 116 Ca 0.24 -0.53 0.07 0.00 0.82 0.00 0.00 66.70 67.31 3hsr h VAL 116 Cb 0.33 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3hsr h VAL 116 CO -0.33 0.17 0.34 0.15 0.02 0.00 0.00 177.57 177.92 3hsr h PHE 117 N 0.14 0.61 0.00 1.57 3.57 -0.94 -0.39 116.94 121.49 3hsr h PHE 117 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3hsr h PHE 117 Cb 0.20 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3hsr h PHE 117 CO -0.01 0.26 0.00 -0.91 -2.23 0.00 0.00 178.31 175.42 3hsr h ASN 118 N 0.60 0.00 1.19 0.41 -0.26 -0.50 -2.45 115.58 114.57 3hsr h ASN 118 Ca 0.31 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.98 3hsr h ASN 118 Cb 0.26 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.51 3hsr h ASN 118 CO -0.22 0.00 -0.32 -0.33 -1.06 0.00 0.00 177.43 175.50 3hsr h GLU 119 N 0.00 0.00 -6.21 0.81 5.08 -0.63 -3.46 114.58 110.17 3hsr h GLU 119 Ca 0.00 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.79 3hsr h GLU 119 Cb 0.37 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 3hsr h GLU 119 CO 0.00 0.32 -0.30 -0.06 -1.00 0.00 0.00 179.01 177.97 3hsr s PHE 120 N -3.38 3.47 -0.74 4.33 0.40 -0.92 -5.03 117.98 116.11 3hsr s PHE 120 Ca 0.02 0.53 -0.23 0.00 -0.60 0.00 0.00 56.93 56.65 3hsr s PHE 120 Cb 0.09 -1.99 0.07 0.00 0.51 0.00 0.00 43.02 41.70 3hsr s PHE 120 CO 0.68 0.40 1.10 1.21 0.70 0.00 0.00 175.22 179.31 3hsr s ASN 121 N -2.62 6.26 -0.23 1.36 3.84 -1.26 -4.95 114.94 117.33 3hsr s ASN 121 Ca 0.41 -1.05 -0.12 0.00 0.21 0.00 0.00 52.86 52.32 3hsr s ASN 121 Cb -0.12 -2.46 0.08 0.00 -0.55 0.00 0.00 41.25 38.20 3hsr s ASN 121 CO 0.26 -1.49 0.54 -0.51 -2.79 0.00 0.00 177.10 173.11 3hsr s ILE 122 N 4.34 -0.19 0.59 -5.21 2.07 -1.26 -5.13 121.20 116.40 3hsr s ILE 122 Ca 0.28 0.06 -0.00 0.00 -1.41 0.00 0.00 60.65 59.58 3hsr s ILE 122 Cb -0.12 -0.80 0.04 0.00 0.13 0.00 0.00 42.46 41.71 3hsr s ILE 122 CO 0.07 0.02 0.83 -0.94 -1.91 0.00 0.00 174.94 173.01 3hsr s SER 123 N 1.79 5.15 0.23 4.50 1.04 -1.26 -4.89 113.70 120.26 3hsr s SER 123 Ca -0.08 0.06 -0.07 0.00 0.48 0.00 0.00 55.95 56.34 3hsr s SER 123 Cb -0.08 -0.88 0.33 0.00 0.10 0.00 0.00 66.02 65.49 3hsr s SER 123 CO -0.16 -1.26 1.79 -0.33 0.98 0.00 0.00 173.24 174.26 3hsr h GLU 124 N -0.08 0.64 -0.40 4.02 5.08 -2.02 -0.71 114.58 121.12 3hsr h GLU 124 Ca -0.42 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 57.84 3hsr h GLU 124 Cb 1.30 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3hsr h GLU 124 CO 0.53 0.43 0.04 -0.09 -1.00 0.00 0.00 179.01 178.91 3hsr h ARG 125 N 0.66 0.68 -0.52 2.33 2.43 -1.99 -0.41 114.38 117.57 3hsr h ARG 125 Ca 0.35 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3hsr h ARG 125 Cb 0.33 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 3hsr h ARG 125 CO -0.24 0.75 0.10 0.93 -1.51 0.00 0.00 179.97 179.99 3hsr h GLU 126 N 0.52 0.85 -0.38 0.20 5.08 -1.87 -1.19 114.58 117.78 3hsr h GLU 126 Ca 0.12 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3hsr h GLU 126 Cb 0.42 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3hsr h GLU 126 CO 0.01 0.83 0.12 0.00 -1.00 0.00 0.00 179.01 178.97 3hsr h ALA 127 N 0.98 0.50 -0.54 3.43 0.00 -1.00 -2.64 119.26 119.99 3hsr h ALA 127 Ca 0.16 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.83 3hsr h ALA 127 Cb 0.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3hsr h ALA 127 CO 0.01 0.14 0.05 0.66 0.00 0.00 0.00 179.25 180.11 3hsr h SER 128 N 0.47 0.85 -0.25 0.00 4.64 -0.88 -0.14 113.55 118.23 3hsr h SER 128 Ca 0.12 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.24 3hsr h SER 128 Cb 0.26 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3hsr h SER 128 CO -0.00 0.89 0.13 0.44 -0.87 0.00 0.00 176.83 177.41 3hsr h ASP 129 N 0.84 0.32 -0.77 4.97 3.32 -1.12 0.70 116.42 124.68 3hsr h ASP 129 Ca 0.17 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 57.11 3hsr h ASP 129 Cb 0.43 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.86 3hsr h ASP 129 CO 0.01 0.34 0.48 0.40 -1.72 0.00 0.00 179.24 178.75 3hsr h ILE 130 N 0.28 1.21 -0.46 0.35 2.04 -1.34 -0.65 117.51 118.95 3hsr h ILE 130 Ca 0.09 -0.45 0.00 0.00 1.00 0.00 0.00 64.86 65.50 3hsr h ILE 130 Cb 0.09 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.27 3hsr h ILE 130 CO -0.01 0.22 0.30 0.40 0.00 0.00 0.00 178.15 179.05 3hsr h ILE 131 N 1.06 1.13 -0.73 -0.67 2.04 -0.68 -0.79 117.51 118.87 3hsr h ILE 131 Ca 0.28 -0.25 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 3hsr h ILE 131 Cb -0.06 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 36.46 3hsr h ILE 131 CO -0.05 0.13 0.37 0.78 0.00 0.00 0.00 178.15 179.37 3hsr h ASN 132 N 0.62 0.93 -0.37 1.72 -0.26 -0.47 0.34 115.58 118.08 3hsr h ASN 132 Ca 0.17 -0.12 0.04 0.00 -0.56 0.00 0.00 56.30 55.83 3hsr h ASN 132 Cb -0.05 -0.24 -0.04 0.00 -1.06 0.00 0.00 38.32 36.93 3hsr h ASN 132 CO -0.03 0.79 0.14 -0.55 -1.06 0.00 0.00 177.43 176.72 3hsr h ASN 133 N 1.01 0.17 0.84 5.81 7.08 -0.80 -1.87 115.58 127.82 3hsr h ASN 133 Ca 0.25 0.04 -0.22 0.00 -3.08 0.00 0.00 56.30 53.28 3hsr h ASN 133 Cb 0.09 0.01 -0.02 0.00 -2.08 0.00 0.00 38.32 36.32 3hsr h ASN 133 CO -0.04 0.13 -1.04 -0.07 -2.08 0.00 0.00 177.43 174.33 3hsr h LEU 134 N 0.31 0.14 -0.54 6.14 3.38 -0.86 -1.94 115.31 121.94 3hsr h LEU 134 Ca 0.17 -0.15 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3hsr h LEU 134 Cb 0.13 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hsr h LEU 134 CO -0.16 1.09 -0.09 -0.09 0.09 0.00 0.00 178.44 179.28 3hsr h ARG 135 N 0.03 1.01 -0.42 1.13 9.65 -0.28 0.12 114.38 125.63 3hsr h ARG 135 Ca -0.05 -0.37 -0.02 0.00 -1.10 0.00 0.00 59.98 58.45 3hsr h ARG 135 Cb 1.78 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 30.27 3hsr h ARG 135 CO 0.15 1.05 0.19 -0.97 2.80 0.00 0.00 179.97 183.19 3hsr h ASN 136 N 0.89 0.55 0.33 -3.80 -1.24 -1.24 -0.29 115.58 110.79 3hsr h ASN 136 Ca 0.14 -0.14 -0.02 0.00 0.71 0.00 0.00 56.30 57.00 3hsr h ASN 136 Cb 0.65 -0.14 0.00 0.00 0.73 0.00 0.00 38.32 39.56 3hsr h ASN 136 CO 0.05 0.54 -0.16 0.15 -1.29 0.00 0.00 177.43 176.71 3hsr h PHE 137 N 0.53 -0.42 -0.34 0.67 3.57 -0.88 -1.23 116.94 118.85 3hsr h PHE 137 Ca 0.14 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.69 3hsr h PHE 137 Cb 0.14 0.14 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 3hsr h PHE 137 CO -0.01 -0.20 -0.02 0.28 -2.23 0.00 0.00 178.31 176.13 3hsr h VAL 138 N -0.53 0.74 -0.18 1.41 2.07 -0.94 -2.23 116.25 116.58 3hsr h VAL 138 Ca -0.05 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 3hsr h VAL 138 Cb 0.40 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3hsr h VAL 138 CO 0.08 0.01 0.02 -1.28 0.02 0.00 0.00 177.57 176.42 3hsr h SER 139 N 0.08 0.23 0.63 0.57 0.87 -0.84 -0.37 113.55 114.71 3hsr h SER 139 Ca 0.16 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3hsr h SER 139 Cb 0.23 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 3hsr h SER 139 CO -0.29 0.26 -0.17 0.29 -0.53 0.00 0.00 176.83 176.40 3hsr n LYS 140 N -4.41 0.26 0.00 2.24 5.02 -0.48 -4.55 118.16 116.23 3hsr n LYS 140 Ca -0.00 -0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.20 3hsr n LYS 140 Cb 0.16 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.67 3hsr n LYS 140 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3hsr n ASN 141 N -1.30 3.51 0.00 4.39 3.02 -0.63 -5.09 115.26 119.16 3hsr n ASN 141 Ca 0.09 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 3hsr n ASN 141 Cb 0.31 0.28 0.00 0.00 -0.61 0.00 0.00 39.78 39.77 3hsr n ASN 141 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13