#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hsr h TYR 7 N 0.00 0.27 -0.73 2.03 3.20 -2.05 -2.59 116.97 117.10 3hsr h TYR 7 Ca 0.00 -0.04 0.12 0.00 3.14 0.00 0.00 58.73 61.95 3hsr h TYR 7 Cb 0.00 -0.07 -0.13 0.00 1.54 0.00 0.00 36.73 38.07 3hsr h TYR 7 CO 0.00 0.45 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.54 3hsr h LEU 8 N 0.02 -1.28 -0.40 2.82 3.38 -2.05 0.12 115.31 117.93 3hsr h LEU 8 Ca 0.04 0.26 -0.16 0.00 0.09 0.00 0.00 57.88 58.11 3hsr h LEU 8 Cb 0.33 0.64 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 3hsr h LEU 8 CO 0.00 -0.30 -0.77 0.77 0.09 0.00 0.00 178.44 178.23 3hsr h SER 9 N -0.11 0.00 0.01 -0.43 4.64 -1.98 -1.49 113.55 114.19 3hsr h SER 9 Ca 0.27 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.59 3hsr h SER 9 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.66 3hsr h SER 9 CO -0.79 0.77 -0.01 0.50 -0.87 0.00 0.00 176.83 176.44 3hsr h LYS 10 N 0.00 -0.02 -0.39 4.77 3.64 -0.91 -0.78 116.57 122.88 3hsr h LYS 10 Ca -0.01 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3hsr h LYS 10 Cb 1.40 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 3hsr h LYS 10 CO 0.10 0.25 -0.14 1.96 -2.27 0.00 0.00 179.45 179.35 3hsr h GLN 11 N -0.28 0.71 -0.25 1.90 1.08 -0.63 -1.78 115.11 115.87 3hsr h GLN 11 Ca -0.00 -0.24 -0.20 0.00 -1.45 0.00 0.00 58.65 56.76 3hsr h GLN 11 Cb 0.27 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.65 3hsr h GLN 11 CO 0.00 0.82 -0.62 1.25 -0.95 0.00 0.00 178.83 179.34 3hsr h LEU 12 N 0.64 0.98 0.33 1.46 5.85 -1.31 0.01 115.31 123.27 3hsr h LEU 12 Ca 0.11 -0.56 0.00 0.00 0.84 0.00 0.00 57.88 58.27 3hsr h LEU 12 Cb 0.60 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.32 3hsr h LEU 12 CO 0.04 1.36 -0.41 0.00 -0.34 0.00 0.00 178.44 179.09 3hsr h PHE 14 N -0.78 0.21 -0.21 0.00 3.57 -1.30 -1.97 116.94 116.47 3hsr h PHE 14 Ca -0.02 -0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3hsr h PHE 14 Cb 0.72 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.41 3hsr h PHE 14 CO -0.26 0.61 0.16 -0.07 -2.23 0.00 0.00 178.31 176.52 3hsr h LEU 15 N -0.25 0.00 0.12 0.59 3.38 -1.08 0.26 115.31 118.33 3hsr h LEU 15 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 3hsr h LEU 15 Cb 0.57 0.00 0.03 0.00 0.09 0.00 0.00 40.66 41.35 3hsr h LEU 15 CO 0.02 0.00 -1.25 -0.26 0.09 0.00 0.00 178.44 177.03 3hsr h PHE 16 N 0.00 0.99 -0.51 1.13 0.04 -1.35 -2.47 116.94 114.77 3hsr h PHE 16 Ca 0.10 -0.63 0.06 0.00 2.80 0.00 0.00 57.97 60.30 3hsr h PHE 16 Cb 0.41 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 3hsr h PHE 16 CO 0.00 1.47 0.23 -0.92 -0.60 0.00 0.00 178.31 178.48 3hsr h TYR 17 N 0.26 0.41 -0.19 -0.55 3.20 -0.48 -2.40 116.97 117.23 3hsr h TYR 17 Ca -0.19 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.61 3hsr h TYR 17 Cb 1.93 -0.11 -0.00 0.00 1.54 0.00 0.00 36.73 40.09 3hsr h TYR 17 CO 0.11 0.17 -0.25 0.28 -1.64 0.00 0.00 178.16 176.83 3hsr h VAL 18 N 0.44 1.34 -0.40 1.81 2.07 -1.00 -1.10 116.25 119.41 3hsr h VAL 18 Ca 0.23 -1.46 0.08 0.00 0.82 0.00 0.00 66.70 66.38 3hsr h VAL 18 Cb 0.19 1.84 -0.07 0.00 -1.52 0.00 0.00 31.29 31.74 3hsr h VAL 18 CO -0.20 0.44 -0.04 0.28 0.02 0.00 0.00 177.57 178.08 3hsr h SER 19 N 0.16 -0.24 0.26 0.57 0.02 -1.40 -1.78 113.55 111.14 3hsr h SER 19 Ca 0.02 0.10 -0.16 0.00 -0.84 0.00 0.00 61.79 60.91 3hsr h SER 19 Cb 0.82 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 3hsr h SER 19 CO 0.06 -0.08 -0.64 -1.28 -1.14 0.00 0.00 176.83 173.75 3hsr h SER 20 N 0.06 0.41 -0.86 3.07 0.87 -1.38 -0.07 113.55 115.65 3hsr h SER 20 Ca 0.20 -0.24 0.01 0.00 -1.23 0.00 0.00 61.79 60.52 3hsr h SER 20 Cb 0.29 -0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 62.09 3hsr h SER 20 CO -0.36 0.94 0.57 0.50 -0.53 0.00 0.00 176.83 177.95 3hsr h LYS 21 N 0.26 1.14 0.09 2.24 1.63 -0.90 -2.28 116.57 118.75 3hsr h LYS 21 Ca -0.01 -0.07 -0.32 0.00 -0.85 0.00 0.00 60.65 59.40 3hsr h LYS 21 Cb 1.17 -0.26 -0.02 0.00 -0.60 0.00 0.00 32.23 32.53 3hsr h LYS 21 CO 0.11 0.76 -1.71 0.93 -3.45 0.00 0.00 179.45 176.09 3hsr h GLU 22 N 1.17 0.19 -0.21 1.90 4.39 -0.66 -2.32 114.58 119.04 3hsr h GLU 22 Ca 0.32 -0.33 0.01 0.00 0.34 0.00 0.00 59.36 59.70 3hsr h GLU 22 Cb -0.13 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 3hsr h GLU 22 CO -0.07 0.99 0.10 0.82 -1.16 0.00 0.00 179.01 179.70 3hsr h ILE 23 N 0.05 1.00 -0.51 3.13 2.04 -1.07 -2.89 117.51 119.26 3hsr h ILE 23 Ca -0.31 -0.08 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 3hsr h ILE 23 Cb 2.02 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 38.83 3hsr h ILE 23 CO 0.12 0.04 -0.08 0.40 0.00 0.00 0.00 178.15 178.63 3hsr h ILE 24 N 0.23 1.27 -0.80 -0.67 2.04 -1.46 -0.05 117.51 118.07 3hsr h ILE 24 Ca 0.09 -1.22 0.15 0.00 1.00 0.00 0.00 64.86 64.88 3hsr h ILE 24 Cb 0.02 1.02 -0.10 0.00 -0.74 0.00 0.00 36.82 37.02 3hsr h ILE 24 CO -0.06 0.43 0.35 0.50 0.00 0.00 0.00 178.15 179.37 3hsr h LYS 25 N 0.81 0.48 -0.13 2.37 3.64 -1.45 0.11 116.57 122.40 3hsr h LYS 25 Ca 0.13 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.32 3hsr h LYS 25 Cb 0.64 -0.11 0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3hsr h LYS 25 CO 0.04 0.32 -0.55 0.87 -2.27 0.00 0.00 179.45 177.86 3hsr h LYS 26 N 0.49 0.61 0.00 1.90 1.57 -1.00 -2.33 116.57 117.81 3hsr h LYS 26 Ca 0.44 -0.48 -0.04 0.00 -1.87 0.00 0.00 60.65 58.70 3hsr h LYS 26 Cb 0.68 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 3hsr h LYS 26 CO -0.40 1.10 -0.20 1.88 -0.57 0.00 0.00 179.45 181.25 3hsr h TYR 27 N 0.26 0.00 -0.17 -1.35 -1.99 -0.70 -2.90 116.97 110.12 3hsr h TYR 27 Ca -0.03 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 3hsr h TYR 27 Cb 1.19 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.91 3hsr h TYR 27 CO 0.10 0.20 -0.08 1.15 -0.00 0.00 0.00 178.16 179.54 3hsr h THR 28 N 0.00 1.31 -0.37 -2.88 2.02 -0.57 0.23 112.91 112.65 3hsr h THR 28 Ca -0.00 -1.12 0.06 0.00 0.77 0.00 0.00 66.41 66.12 3hsr h THR 28 Cb 0.37 1.69 -0.08 0.00 -1.74 0.00 0.00 68.15 68.39 3hsr h THR 28 CO 0.03 0.33 -0.50 0.78 0.37 0.00 0.00 175.52 176.53 3hsr h ASN 29 N 0.03 -1.66 0.06 4.18 2.35 -1.33 -2.55 115.58 116.66 3hsr h ASN 29 Ca 0.04 0.23 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 3hsr h ASN 29 Cb 0.55 0.69 -0.00 0.00 0.05 0.00 0.00 38.32 39.61 3hsr h ASN 29 CO 0.02 -0.40 -0.63 1.88 -1.65 0.00 0.00 177.43 176.66 3hsr h TYR 30 N -0.39 0.72 0.00 1.19 0.05 -1.41 -3.17 116.97 113.95 3hsr h TYR 30 Ca 0.10 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.60 3hsr h TYR 30 Cb 0.60 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.22 3hsr h TYR 30 CO -0.66 1.03 0.00 -0.07 -1.05 0.00 0.00 178.16 177.41 3hsr h LEU 31 N 0.41 0.00 -1.24 3.88 3.38 -0.43 -3.22 115.31 118.08 3hsr h LEU 31 Ca -0.01 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.06 3hsr h LEU 31 Cb 1.19 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.88 3hsr h LEU 31 CO 0.12 0.00 0.56 0.11 0.09 0.00 0.00 178.44 179.32 3hsr h LYS 32 N 0.00 0.81 -0.02 1.13 1.57 -1.43 0.43 116.57 119.07 3hsr h LYS 32 Ca 0.00 -0.05 0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3hsr h LYS 32 Cb 0.52 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 3hsr h LYS 32 CO 0.00 0.54 0.04 1.49 -0.57 0.00 0.00 179.45 180.94 3hsr h GLU 33 N 0.83 0.00 -0.01 3.15 4.81 -1.78 -1.84 114.58 119.74 3hsr h GLU 33 Ca 0.40 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.63 3hsr h GLU 33 Cb 0.43 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.81 3hsr h GLU 33 CO -0.17 0.00 -0.12 0.66 -0.73 0.00 0.00 179.01 178.65 3hsr n TYR 34 N -3.61 0.00 -3.95 0.92 4.01 0.07 -4.99 117.16 109.61 3hsr n TYR 34 Ca -0.02 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.44 3hsr n TYR 34 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 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 0.38 -1.72 -4.49 7.72 2.03 -0.69 -4.99 116.55 114.78 3hsr n ASP 35 Ca 0.07 -0.94 -0.33 0.00 0.52 0.00 0.00 54.79 54.11 3hsr n ASP 35 Cb 0.32 -3.31 -0.13 0.00 -0.72 0.00 0.00 41.12 37.29 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 -7.02 2.79 0.67 -2.67 1.43 -1.13 -5.05 118.68 107.70 3hsr s LEU 36 Ca 0.24 -0.18 -0.10 0.00 -1.03 0.00 0.00 54.13 53.06 3hsr s LEU 36 Cb -0.13 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.52 3hsr s LEU 36 CO 0.87 0.35 1.05 0.42 0.23 0.00 0.00 176.35 179.27 3hsr s THR 37 N -0.75 3.73 0.21 5.49 -4.23 -1.26 -4.63 115.64 114.20 3hsr s THR 37 Ca 0.12 0.47 -0.09 0.00 -1.18 0.00 0.00 61.69 61.01 3hsr s THR 37 Cb -0.11 -3.54 0.15 0.00 1.34 0.00 0.00 72.50 70.35 3hsr s THR 37 CO 0.01 -0.69 1.81 0.22 -0.54 0.00 0.00 174.62 175.43 3hsr h TYR 38 N -0.52 0.73 -0.18 3.99 3.20 -1.97 -1.13 116.97 121.09 3hsr h TYR 38 Ca -0.45 0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.35 3hsr h TYR 38 Cb 1.24 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 3hsr h TYR 38 CO 0.52 0.35 -0.32 1.15 -1.64 0.00 0.00 178.16 178.22 3hsr h THR 39 N 0.73 1.28 -0.46 1.81 2.02 -2.00 -1.44 112.91 114.84 3hsr h THR 39 Ca 0.31 -1.36 -0.08 0.00 0.77 0.00 0.00 66.41 66.04 3hsr h THR 39 Cb 0.19 1.50 -0.02 0.00 -1.74 0.00 0.00 68.15 68.08 3hsr h THR 39 CO -0.18 0.42 -0.05 1.23 0.37 0.00 0.00 175.52 177.31 3hsr h GLY 40 N 1.08 0.86 0.86 2.16 0.00 -1.77 -2.07 103.07 104.20 3hsr h GLY 40 Ca 0.04 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 3hsr h GLY 40 CO 0.06 0.56 0.02 -1.82 0.00 0.00 0.00 176.54 175.36 3hsr h TYR 41 N 0.73 0.08 -0.70 5.60 3.20 -0.66 -1.59 116.97 123.62 3hsr h TYR 41 Ca 0.13 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.15 3hsr h TYR 41 Cb 0.52 -0.02 -0.10 0.00 1.54 0.00 0.00 36.73 38.66 3hsr h TYR 41 CO 0.03 0.20 0.17 0.82 -1.64 0.00 0.00 178.16 177.73 3hsr h ILE 42 N -0.07 0.55 -0.17 1.81 1.08 -1.03 -0.95 117.51 118.74 3hsr h ILE 42 Ca 0.02 -0.09 -0.01 0.00 -0.39 0.00 0.00 64.86 64.38 3hsr h ILE 42 Cb 0.15 0.25 -0.01 0.00 -3.07 0.00 0.00 36.82 34.15 3hsr h ILE 42 CO -0.00 0.05 0.05 0.58 -0.69 0.00 0.00 178.15 178.14 3hsr h VAL 43 N 0.27 1.18 -0.96 1.67 2.07 -1.05 -2.11 116.25 117.34 3hsr h VAL 43 Ca 0.39 -0.57 0.03 0.00 0.82 0.00 0.00 66.70 67.36 3hsr h VAL 43 Cb 0.64 1.25 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3hsr h VAL 43 CO -0.48 0.18 0.63 -0.07 0.02 0.00 0.00 177.57 177.84 3hsr h LEU 44 N 0.09 1.07 -1.93 2.57 3.38 -1.02 -1.88 115.31 117.59 3hsr h LEU 44 Ca 0.05 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hsr h LEU 44 Cb 0.23 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3hsr h LEU 44 CO -0.00 0.75 0.00 0.24 0.09 0.00 0.00 178.44 179.52 3hsr h MET 45 N 1.25 0.00 0.00 1.13 2.86 -0.81 -2.44 114.93 116.92 3hsr h MET 45 Ca 0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 58.01 3hsr h MET 45 Cb -0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.60 3hsr h MET 45 CO -0.10 0.00 -0.30 0.00 1.06 0.00 0.00 176.91 177.56 3hsr n ALA 46 N -2.08 2.69 -2.57 6.32 0.00 -0.72 -4.69 120.51 119.46 3hsr n ALA 46 Ca -0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 53.44 52.85 3hsr n ALA 46 Cb 0.23 -1.31 -0.10 0.00 0.00 0.00 0.00 19.45 18.26 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 -3.10 5.05 0.82 0.00 1.01 -0.92 -5.08 121.20 118.98 3hsr s ILE 47 Ca 0.09 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 59.89 3hsr s ILE 47 Cb 0.14 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.87 3hsr s ILE 47 CO 0.65 -0.29 1.11 -0.62 0.00 0.00 0.00 174.94 175.79 3hsr n GLU 48 N 5.11 0.11 -0.20 2.79 -0.58 -1.26 -4.87 120.64 121.73 3hsr n GLU 48 Ca -0.11 0.11 -0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3hsr n GLU 48 Cb 0.47 -2.37 0.11 0.00 -0.57 0.00 0.00 31.44 29.08 3hsr n GLU 48 CO 0.00 0.00 0.00 -0.91 -0.48 0.00 0.00 177.13 175.74 3hsr h ASN 49 N -0.99 0.26 -0.60 1.62 2.35 -1.97 -1.81 115.58 114.43 3hsr h ASN 49 Ca -0.46 0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.36 3hsr h ASN 49 Cb 1.30 0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.71 3hsr h ASN 49 CO 0.45 0.16 0.00 -0.90 -1.65 0.00 0.00 177.43 175.48 3hsr n ASP 50 N -4.97 4.33 -4.85 5.81 5.68 -1.26 -4.65 116.55 116.63 3hsr n ASP 50 Ca 0.08 -2.35 -0.36 0.00 -0.50 0.00 0.00 54.79 51.67 3hsr n ASP 50 Cb 0.26 -0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 39.67 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 -1.65 3.85 -0.12 0.11 2.12 -0.68 -5.08 118.70 117.25 3hsr s GLU 51 Ca 0.47 0.30 0.03 0.00 0.36 0.00 0.00 54.97 56.13 3hsr s GLU 51 Cb 0.29 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 31.61 3hsr s GLU 51 CO 0.24 0.60 -0.21 0.21 -0.54 0.00 0.00 175.26 175.56 3hsr s LYS 52 N -1.60 2.85 -0.02 4.30 2.20 -1.26 -4.27 119.74 121.93 3hsr s LYS 52 Ca 0.30 -0.80 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 3hsr s LYS 52 Cb -0.15 -2.25 0.01 0.00 -1.51 0.00 0.00 37.83 33.93 3hsr s LYS 52 CO 0.16 0.06 -0.05 -1.17 -0.36 0.00 0.00 175.35 174.00 3hsr s LEU 53 N 0.64 1.66 0.47 5.43 2.96 -0.19 -4.92 118.68 124.72 3hsr s LEU 53 Ca -0.12 -0.10 -0.22 0.00 -0.22 0.00 0.00 54.13 53.46 3hsr s LEU 53 Cb -0.16 -0.35 -0.07 0.00 0.50 0.00 0.00 46.19 46.10 3hsr s LEU 53 CO 0.03 0.01 1.12 0.54 -1.32 0.00 0.00 176.35 176.72 3hsr s ASN 54 N 0.39 6.19 0.49 3.68 4.22 -1.26 -1.06 114.94 127.59 3hsr s ASN 54 Ca -0.05 2.17 0.14 0.00 -2.14 0.00 0.00 52.86 52.99 3hsr s ASN 54 Cb -0.08 -2.59 1.17 0.00 1.28 0.00 0.00 41.25 41.03 3hsr s ASN 54 CO -0.00 -0.89 2.12 0.40 -2.04 0.00 0.00 177.10 176.68 3hsr h ILE 55 N 1.73 1.01 -0.17 0.54 2.04 -1.62 -1.24 117.51 119.80 3hsr h ILE 55 Ca -0.49 -0.05 -0.00 0.00 1.00 0.00 0.00 64.86 65.32 3hsr h ILE 55 Cb 1.24 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 38.17 3hsr h ILE 55 CO 0.60 0.03 0.10 0.50 0.00 0.00 0.00 178.15 179.38 3hsr h LYS 56 N 0.15 0.24 -0.80 2.37 3.64 -1.90 0.08 116.57 120.34 3hsr h LYS 56 Ca 0.05 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 3hsr h LYS 56 Cb 0.03 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.77 3hsr h LYS 56 CO -0.01 0.21 0.36 -0.22 -2.27 0.00 0.00 179.45 177.52 3hsr h LYS 57 N 0.20 1.16 -0.12 1.90 3.64 -1.62 -1.57 116.57 120.16 3hsr h LYS 57 Ca 0.06 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3hsr h LYS 57 Cb 0.03 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 3hsr h LYS 57 CO -0.01 0.90 0.06 1.25 -2.27 0.00 0.00 179.45 179.38 3hsr h LEU 58 N 1.14 0.16 -0.85 5.20 5.85 -1.14 -0.61 115.31 125.07 3hsr h LEU 58 Ca 0.27 -0.13 0.21 0.00 0.84 0.00 0.00 57.88 59.08 3hsr h LEU 58 Cb 0.14 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.00 3hsr h LEU 58 CO -0.03 0.25 0.25 1.23 -0.34 0.00 0.00 178.44 179.80 3hsr h GLY 59 N 0.07 1.32 1.14 3.75 0.00 -0.82 0.45 103.07 108.97 3hsr h GLY 59 Ca 0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 3hsr h GLY 59 CO -0.00 -0.31 0.02 0.83 0.00 0.00 0.00 176.54 177.07 3hsr h GLU 60 N 0.26 1.04 -0.24 4.80 5.08 -0.42 0.56 114.58 125.66 3hsr h GLU 60 Ca 0.52 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3hsr h GLU 60 Cb 1.01 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3hsr h GLU 60 CO -0.60 1.00 0.01 0.00 -1.00 0.00 0.00 179.01 178.42 3hsr h ARG 61 N 0.95 0.35 -0.22 2.33 3.08 0.59 -3.07 114.38 118.39 3hsr h ARG 61 Ca 0.17 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hsr h ARG 61 Cb 0.53 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.52 3hsr h ARG 61 CO 0.03 0.38 0.00 1.33 -1.07 0.00 0.00 179.97 180.63 3hsr n VAL 62 N -4.35 0.85 -3.41 2.04 0.24 -0.77 -5.00 118.33 107.92 3hsr n VAL 62 Ca 0.00 -0.92 -0.22 0.00 -2.04 0.00 0.00 64.34 61.16 3hsr n VAL 62 Cb 0.20 0.60 0.07 0.00 -1.47 0.00 0.00 33.84 33.24 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 0.28 -2.55 -5.07 6.34 3.72 0.09 -5.00 117.46 115.28 3hsr n PHE 63 Ca 0.08 0.86 -0.28 0.00 -0.05 0.00 0.00 57.45 58.06 3hsr n PHE 63 Cb 0.35 -4.73 -0.16 0.00 -0.94 0.00 0.00 39.48 34.01 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 -6.85 2.03 0.79 4.37 1.43 -0.63 -5.04 118.68 114.77 3hsr s LEU 64 Ca 0.50 -0.40 -0.10 0.00 -1.03 0.00 0.00 54.13 53.09 3hsr s LEU 64 Cb -0.22 -1.13 0.09 0.00 0.03 0.00 0.00 46.19 44.96 3hsr s LEU 64 CO 0.61 0.25 1.13 1.51 0.23 0.00 0.00 176.35 180.08 3hsr s ASP 65 N -0.40 4.46 0.48 2.29 -4.77 -1.26 -4.50 116.67 112.96 3hsr s ASP 65 Ca 0.06 0.57 0.24 0.00 -3.30 0.00 0.00 52.55 50.12 3hsr s ASP 65 Cb -0.09 -1.07 1.23 0.00 -1.09 0.00 0.00 42.92 41.90 3hsr s ASP 65 CO 0.00 -1.88 1.99 0.77 0.70 0.00 0.00 175.17 176.75 3hsr h SER 66 N -0.94 0.00 -0.53 2.11 4.64 -1.97 -0.09 113.55 116.77 3hsr h SER 66 Ca -0.45 0.00 0.03 0.00 -0.47 0.00 0.00 61.79 60.90 3hsr h SER 66 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 3hsr h SER 66 CO 0.60 0.18 0.35 1.23 -0.87 0.00 0.00 176.83 178.32 3hsr h GLY 67 N 1.06 0.69 0.12 -0.77 0.00 -2.01 -1.64 103.07 100.52 3hsr h GLY 67 Ca -0.00 -0.24 -0.39 0.00 0.00 0.00 0.00 47.33 46.70 3hsr h GLY 67 CO 0.02 0.21 -2.34 2.41 0.00 0.00 0.00 176.54 176.85 3hsr n THR 68 N -4.47 1.56 -0.16 4.70 -1.04 -0.82 -4.62 114.28 109.42 3hsr n THR 68 Ca 0.06 -0.52 -0.10 0.00 -2.04 0.00 0.00 64.05 61.45 3hsr n THR 68 Cb 0.13 -1.60 0.03 0.00 -1.82 0.00 0.00 70.33 67.08 3hsr n THR 68 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 3hsr h LEU 69 N -0.22 0.98 0.06 -4.42 5.85 -0.98 -3.17 115.31 113.41 3hsr h LEU 69 Ca -0.56 -0.33 -0.00 0.00 0.84 0.00 0.00 57.88 57.83 3hsr h LEU 69 Cb 1.84 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.61 3hsr h LEU 69 CO -0.12 1.11 -0.03 0.74 -0.34 0.00 0.00 178.44 179.80 3hsr h THR 70 N 0.86 1.05 -0.18 1.05 2.02 -1.54 0.24 112.91 116.42 3hsr h THR 70 Ca 0.13 -0.36 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3hsr h THR 70 Cb 0.69 1.28 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3hsr h THR 70 CO 0.05 0.09 0.08 1.55 0.37 0.00 0.00 175.52 177.66 3hsr h PRO 71 N -0.24 0.24 -0.36 6.66 0.13 -1.79 -1.08 132.00 135.56 3hsr h PRO 71 Ca -0.01 -0.02 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 3hsr h PRO 71 Cb 0.21 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 31.28 3hsr h PRO 71 CO 0.01 0.19 -0.10 1.25 -0.23 0.00 0.00 178.00 179.13 3hsr h LEU 72 N 0.25 0.72 -0.60 1.56 6.46 -1.40 -2.11 115.31 120.18 3hsr h LEU 72 Ca 0.06 -0.37 -0.08 0.00 -0.12 0.00 0.00 57.88 57.37 3hsr h LEU 72 Cb 0.03 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 3hsr h LEU 72 CO -0.01 0.92 0.06 -0.07 -0.62 0.00 0.00 178.44 178.73 3hsr h LEU 73 N 0.51 0.99 -0.75 2.25 3.38 -0.20 -0.99 115.31 120.49 3hsr h LEU 73 Ca 0.09 -0.28 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3hsr h LEU 73 Cb 0.61 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 41.04 3hsr h LEU 73 CO 0.04 1.02 0.43 0.50 0.09 0.00 0.00 178.44 180.52 3hsr h LYS 74 N 0.92 0.75 -0.11 1.13 3.64 -1.06 0.10 116.57 121.95 3hsr h LYS 74 Ca 0.18 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.49 3hsr h LYS 74 Cb 0.47 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3hsr h LYS 74 CO 0.02 0.49 -0.01 0.87 -2.27 0.00 0.00 179.45 178.55 3hsr h LYS 75 N 0.77 0.20 -0.71 1.90 1.57 -0.88 -1.01 116.57 118.40 3hsr h LYS 75 Ca 0.34 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.14 3hsr h LYS 75 Cb 0.24 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.49 3hsr h LYS 75 CO -0.20 0.47 0.47 -0.07 -0.57 0.00 0.00 179.45 179.55 3hsr h LEU 76 N -0.09 0.60 -0.63 2.94 3.38 -1.02 -0.14 115.31 120.34 3hsr h LEU 76 Ca 0.03 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.90 3hsr h LEU 76 Cb 0.39 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3hsr h LEU 76 CO 0.01 0.37 -0.14 -0.08 0.09 0.00 0.00 178.44 178.69 3hsr h GLU 77 N 0.67 0.93 -0.45 1.13 4.81 -0.39 -1.53 114.58 119.75 3hsr h GLU 77 Ca 0.32 -0.35 -0.06 0.00 -0.13 0.00 0.00 59.36 59.14 3hsr h GLU 77 Cb 0.37 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 3hsr h GLU 77 CO -0.11 1.00 0.01 -0.22 -0.73 0.00 0.00 179.01 178.97 3hsr h LYS 78 N 0.82 0.72 0.00 1.92 3.64 -0.00 -0.91 116.57 122.75 3hsr h LYS 78 Ca 0.12 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 3hsr h LYS 78 Cb 0.68 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 3hsr h LYS 78 CO 0.05 0.72 0.00 1.63 -2.27 0.00 0.00 179.45 179.59 3hsr n LYS 79 N -4.24 0.93 -2.87 1.90 5.02 -0.18 -4.89 118.16 113.84 3hsr n LYS 79 Ca 0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.10 3hsr n LYS 79 Cb 0.28 -1.08 0.01 0.00 -0.02 0.00 0.00 35.03 34.22 3hsr n LYS 79 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3hsr n ASP 80 N -0.58 -5.40 -0.09 4.39 2.03 -0.35 -4.90 116.55 111.66 3hsr n ASP 80 Ca 0.04 -0.18 -0.07 0.00 0.52 0.00 0.00 54.79 55.09 3hsr n ASP 80 Cb 0.02 -4.43 -0.16 0.00 -0.72 0.00 0.00 41.12 35.83 3hsr n ASP 80 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3hsr n TYR 81 N -4.16 0.02 -4.22 -0.67 4.01 -0.59 -4.04 117.16 107.50 3hsr n TYR 81 Ca -0.13 0.01 -0.16 0.00 -0.16 0.00 0.00 57.90 57.45 3hsr n TYR 81 Cb 0.62 -0.94 -0.11 0.00 -0.31 0.00 0.00 39.34 38.61 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 -2.63 1.18 -0.08 -0.72 -7.23 -1.18 -1.75 120.40 107.98 3hsr s VAL 82 Ca -0.10 -1.75 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 3hsr s VAL 82 Cb 0.07 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.47 3hsr s VAL 82 CO 0.84 -0.52 -0.17 0.68 -0.31 0.00 0.00 175.10 175.63 3hsr s VAL 83 N -2.42 2.77 -0.20 1.32 -7.23 0.46 -4.29 120.40 110.81 3hsr s VAL 83 Ca 0.09 -0.80 -0.08 0.00 -1.81 0.00 0.00 61.98 59.38 3hsr s VAL 83 Cb -0.03 -2.09 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 3hsr s VAL 83 CO 0.02 0.56 0.08 -0.13 -0.31 0.00 0.00 175.10 175.32 3hsr s ARG 84 N -0.19 3.97 0.01 4.82 0.52 -1.26 -1.95 118.95 124.87 3hsr s ARG 84 Ca -0.01 -0.34 0.04 0.00 -0.52 0.00 0.00 55.73 54.90 3hsr s ARG 84 Cb -0.13 -3.29 -0.01 0.00 0.52 0.00 0.00 34.95 32.04 3hsr s ARG 84 CO 0.03 0.20 -0.12 0.95 0.02 0.00 0.00 175.30 176.38 3hsr s THR 85 N 0.60 0.91 -0.64 0.02 -4.23 0.88 -4.96 115.64 108.22 3hsr s THR 85 Ca 0.04 -0.69 -0.26 0.00 -1.18 0.00 0.00 61.69 59.60 3hsr s THR 85 Cb -0.13 -0.80 -0.12 0.00 1.34 0.00 0.00 72.50 72.80 3hsr s THR 85 CO 0.01 0.11 2.46 -2.11 -0.54 0.00 0.00 174.62 174.55 3hsr n ARG 86 N 2.40 0.75 -3.85 3.99 0.00 -1.26 0.94 116.66 119.63 3hsr n ARG 86 Ca -0.16 -0.14 -0.36 0.00 -0.00 0.00 0.00 57.85 57.20 3hsr n ARG 86 Cb 0.56 -3.07 -0.12 0.00 -0.00 0.00 0.00 32.46 29.83 3hsr n ARG 86 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 3hsr s LEU 94 N 11.64 3.54 -0.03 2.89 0.20 -1.26 -5.19 118.68 130.48 3hsr s LEU 94 Ca 1.05 -0.13 0.00 0.00 0.69 0.00 0.00 54.13 55.74 3hsr s LEU 94 Cb -0.38 -1.94 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 3hsr s LEU 94 CO 0.28 0.02 0.01 -1.10 -0.29 0.00 0.00 176.35 175.28 3hsr s GLN 95 N 1.27 2.90 -0.03 1.98 -1.52 0.27 -1.47 119.66 123.05 3hsr s GLN 95 Ca 0.05 -0.52 0.06 0.00 -1.95 0.00 0.00 55.36 53.00 3hsr s GLN 95 Cb -0.15 -2.74 -0.01 0.00 -0.22 0.00 0.00 33.01 29.89 3hsr s GLN 95 CO 0.03 0.66 -0.22 0.42 -0.25 0.00 0.00 175.29 175.93 3hsr s ILE 96 N -1.03 1.78 0.16 1.08 -1.09 -0.23 -0.08 121.20 121.79 3hsr s ILE 96 Ca 0.18 -0.95 -0.09 0.00 -2.23 0.00 0.00 60.65 57.56 3hsr s ILE 96 Cb -0.12 -1.49 -0.01 0.00 -1.58 0.00 0.00 42.46 39.27 3hsr s ILE 96 CO 0.08 0.50 0.27 -0.94 -1.23 0.00 0.00 174.94 173.62 3hsr s SER 97 N -0.39 0.05 0.36 3.58 1.04 -0.82 -1.02 113.70 116.49 3hsr s SER 97 Ca 0.05 -0.85 -0.26 0.00 0.48 0.00 0.00 55.95 55.37 3hsr s SER 97 Cb -0.10 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 66.35 3hsr s SER 97 CO 0.00 -0.87 1.07 -0.76 0.98 0.00 0.00 173.24 173.65 3hsr s LEU 98 N -2.96 4.27 1.11 2.42 1.43 -1.26 -0.40 118.68 123.30 3hsr s LEU 98 Ca 0.16 2.12 -0.17 0.00 -1.03 0.00 0.00 54.13 55.20 3hsr s LEU 98 Cb 0.03 -4.00 0.25 0.00 0.03 0.00 0.00 46.19 42.50 3hsr s LEU 98 CO -0.01 -0.38 1.14 0.42 0.23 0.00 0.00 176.35 177.75 3hsr s THR 99 N -1.49 1.75 0.34 5.49 -4.23 -0.71 -4.62 115.64 112.16 3hsr s THR 99 Ca 0.53 0.00 0.05 0.00 -1.18 0.00 0.00 61.69 61.09 3hsr s THR 99 Cb -0.25 -2.59 0.15 0.00 1.34 0.00 0.00 72.50 71.15 3hsr s THR 99 CO 0.32 0.00 1.87 -0.33 -0.54 0.00 0.00 174.62 175.94 3hsr h GLU 100 N -2.26 0.50 -0.19 3.99 4.39 -1.90 -1.51 114.58 117.60 3hsr h GLU 100 Ca -0.47 -0.11 -0.17 0.00 0.34 0.00 0.00 59.36 58.95 3hsr h GLU 100 Cb 1.29 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.87 3hsr h GLU 100 CO 0.41 0.55 -0.57 0.37 -1.16 0.00 0.00 179.01 178.60 3hsr h GLN 101 N 0.48 0.59 -0.51 2.33 4.15 -1.92 -0.41 115.11 119.81 3hsr h GLN 101 Ca 0.10 -0.38 -0.08 0.00 0.77 0.00 0.00 58.65 59.06 3hsr h GLN 101 Cb 0.36 0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.08 3hsr h GLN 101 CO 0.01 1.00 0.00 0.78 -1.93 0.00 0.00 178.83 178.69 3hsr h GLY 102 N 1.02 0.93 1.62 2.39 0.00 -1.64 -2.23 103.07 105.16 3hsr h GLY 102 Ca 0.00 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.60 3hsr h GLY 102 CO 0.11 0.59 -0.30 0.50 0.00 0.00 0.00 176.54 177.43 3hsr h LYS 103 N 0.80 0.44 0.00 4.80 1.57 -0.94 -2.98 116.57 120.25 3hsr h LYS 103 Ca 0.15 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3hsr h LYS 103 Cb 0.48 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 3hsr h LYS 103 CO 0.02 0.70 -0.15 0.00 -0.57 0.00 0.00 179.45 179.45 3hsr h ALA 104 N 1.30 1.35 -0.17 3.86 0.00 -0.48 -2.83 119.26 122.28 3hsr h ALA 104 Ca 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3hsr h ALA 104 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 3hsr h ALA 104 CO 0.06 0.19 0.00 0.44 0.00 0.00 0.00 179.25 179.94 3hsr n ILE 105 N -3.77 0.20 -0.31 0.00 -5.35 -1.01 -4.54 119.36 104.58 3hsr n ILE 105 Ca -0.02 -0.60 -0.04 0.00 -0.27 0.00 0.00 62.75 61.82 3hsr n ILE 105 Cb 0.26 1.29 0.08 0.00 -1.74 0.00 0.00 39.64 39.53 3hsr n ILE 105 CO 0.00 0.00 0.00 0.11 -1.76 0.00 0.00 176.55 174.90 3hsr h LYS 106 N 4.57 1.11 0.69 6.28 1.79 -1.35 0.23 116.57 129.89 3hsr h LYS 106 Ca 0.00 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.36 3hsr h LYS 106 Cb 0.99 -0.25 0.01 0.00 -1.58 0.00 0.00 32.23 31.40 3hsr h LYS 106 CO 0.00 0.75 -0.33 1.03 -1.08 0.00 0.00 179.45 179.82 3hsr h SER 107 N 1.14 -0.78 -1.01 0.86 0.87 -1.80 -0.85 113.55 111.98 3hsr h SER 107 Ca 0.31 -0.00 0.09 0.00 -1.23 0.00 0.00 61.79 60.95 3hsr h SER 107 Cb -0.11 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 61.98 3hsr h SER 107 CO -0.06 -0.45 0.64 1.55 -0.53 0.00 0.00 176.83 177.98 3hsr h PRO 108 N -1.11 1.05 -0.31 2.24 0.13 -1.81 -0.86 132.00 131.33 3hsr h PRO 108 Ca -0.09 -0.06 0.04 0.00 -0.87 0.00 0.00 66.00 65.01 3hsr h PRO 108 Cb 0.74 -0.24 -0.04 0.00 0.13 0.00 0.00 31.00 31.60 3hsr h PRO 108 CO 0.16 0.70 0.09 -0.07 -0.23 0.00 0.00 178.00 178.65 3hsr h LEU 109 N 1.09 0.08 -1.25 1.56 3.38 -0.49 -2.02 115.31 117.66 3hsr h LEU 109 Ca 0.47 0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.55 3hsr h LEU 109 Cb 0.33 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 41.06 3hsr h LEU 109 CO -0.22 0.08 0.54 0.00 0.09 0.00 0.00 178.44 178.94 3hsr h ALA 110 N 1.21 1.63 0.00 1.53 0.00 0.15 -2.29 119.26 121.49 3hsr h ALA 110 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3hsr h ALA 110 Cb 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3hsr h ALA 110 CO -0.16 0.23 -0.24 0.93 0.00 0.00 0.00 179.25 180.01 3hsr h GLU 111 N 0.88 0.00 -0.28 0.00 5.08 -0.53 -2.44 114.58 117.29 3hsr h GLU 111 Ca 0.37 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.79 3hsr h GLU 111 Cb 0.29 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.48 3hsr h GLU 111 CO -0.14 0.24 -0.12 0.82 -1.00 0.00 0.00 179.01 178.81 3hsr h ILE 112 N 0.00 0.61 -0.97 3.13 2.04 -0.87 -1.56 117.51 119.88 3hsr h ILE 112 Ca -0.00 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.99 3hsr h ILE 112 Cb 0.54 0.61 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 3hsr h ILE 112 CO 0.03 0.00 0.61 0.28 0.00 0.00 0.00 178.15 179.08 3hsr h SER 113 N -0.08 0.84 -0.12 1.72 0.02 -1.53 0.18 113.55 114.58 3hsr h SER 113 Ca 0.14 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.14 3hsr h SER 113 Cb 0.30 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 3hsr h SER 113 CO -0.33 0.43 0.05 0.58 -1.14 0.00 0.00 176.83 176.42 3hsr h VAL 114 N 0.89 1.16 -0.45 2.27 2.07 -1.53 -1.79 116.25 118.87 3hsr h VAL 114 Ca 0.49 -0.47 0.09 0.00 0.82 0.00 0.00 66.70 67.63 3hsr h VAL 114 Cb 0.59 1.24 -0.09 0.00 -1.52 0.00 0.00 31.29 31.51 3hsr h VAL 114 CO -0.26 0.14 -0.13 0.11 0.02 0.00 0.00 177.57 177.45 3hsr h LYS 115 N 0.03 -0.03 0.76 1.57 1.57 -0.25 -2.04 116.57 118.19 3hsr h LYS 115 Ca 0.04 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3hsr h LYS 115 Cb 0.18 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hsr h LYS 115 CO -0.00 -0.02 -0.37 0.28 -0.57 0.00 0.00 179.45 178.77 3hsr h VAL 116 N -0.03 0.00 0.00 0.50 2.07 -0.48 -2.57 116.25 115.74 3hsr h VAL 116 Ca 0.22 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.70 3hsr h VAL 116 Cb 0.36 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3hsr h VAL 116 CO -0.48 0.00 -0.08 -0.26 0.02 0.00 0.00 177.57 176.77 3hsr h PHE 117 N -1.05 0.00 -0.55 1.57 0.04 -1.41 -1.58 116.94 113.96 3hsr h PHE 117 Ca -0.10 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.66 3hsr h PHE 117 Cb 0.79 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.91 3hsr h PHE 117 CO 0.05 0.08 0.33 -0.97 -0.60 0.00 0.00 178.31 177.20 3hsr h ASN 118 N 0.00 0.66 0.00 2.17 -0.73 -1.33 -2.13 115.58 114.22 3hsr h ASN 118 Ca -0.00 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 58.11 3hsr h ASN 118 Cb 0.50 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 38.92 3hsr h ASN 118 CO 0.01 0.53 0.03 -0.62 -0.37 0.00 0.00 177.43 177.01 3hsr n GLU 119 N -4.65 0.11 -2.48 6.67 1.02 -0.59 -4.33 120.64 116.38 3hsr n GLU 119 Ca 0.03 0.60 -0.32 0.00 -0.02 0.00 0.00 57.16 57.46 3hsr n GLU 119 Cb 0.06 -1.90 -0.03 0.00 -0.02 0.00 0.00 31.44 29.55 3hsr n GLU 119 CO 0.00 0.00 0.00 -0.06 1.18 0.00 0.00 177.13 178.25 3hsr s PHE 120 N -3.42 3.46 -0.69 -0.32 0.40 -0.80 -5.00 117.98 111.61 3hsr s PHE 120 Ca -0.02 1.38 -0.18 0.00 -0.60 0.00 0.00 56.93 57.52 3hsr s PHE 120 Cb 0.05 -2.72 0.13 0.00 0.51 0.00 0.00 43.02 40.99 3hsr s PHE 120 CO 0.15 -0.32 0.76 1.21 0.70 0.00 0.00 175.22 177.73 3hsr s ASN 121 N -3.10 6.37 -0.06 1.36 2.47 -1.26 -4.99 114.94 115.72 3hsr s ASN 121 Ca 0.57 -1.81 -0.02 0.00 0.42 0.00 0.00 52.86 52.02 3hsr s ASN 121 Cb -0.10 -2.29 0.04 0.00 -1.45 0.00 0.00 41.25 37.45 3hsr s ASN 121 CO 0.32 -0.98 0.13 -0.51 -3.72 0.00 0.00 177.10 172.34 3hsr s ILE 122 N 2.08 -0.06 0.87 -5.21 2.07 -1.26 -5.12 121.20 114.56 3hsr s ILE 122 Ca 0.15 0.20 -0.14 0.00 -1.41 0.00 0.00 60.65 59.45 3hsr s ILE 122 Cb -0.19 -0.22 0.13 0.00 0.13 0.00 0.00 42.46 42.31 3hsr s ILE 122 CO 0.01 0.08 1.23 -0.94 -1.91 0.00 0.00 174.94 173.41 3hsr s SER 123 N 1.23 3.95 0.15 4.50 1.04 -1.26 -4.85 113.70 118.46 3hsr s SER 123 Ca -0.08 0.59 -0.16 0.00 0.48 0.00 0.00 55.95 56.78 3hsr s SER 123 Cb -0.12 -0.92 0.01 0.00 0.10 0.00 0.00 66.02 65.10 3hsr s SER 123 CO -0.06 -2.24 1.75 -0.33 0.98 0.00 0.00 173.24 173.34 3hsr h GLU 124 N -1.29 0.60 -0.78 4.02 5.08 -2.02 -0.06 114.58 120.14 3hsr h GLU 124 Ca -0.45 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.78 3hsr h GLU 124 Cb 1.29 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.39 3hsr h GLU 124 CO 0.55 0.49 0.29 -0.09 -1.00 0.00 0.00 179.01 179.25 3hsr h ARG 125 N 0.56 1.17 -0.41 2.33 2.43 -1.99 -0.17 114.38 118.31 3hsr h ARG 125 Ca 0.15 -0.22 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 3hsr h ARG 125 Cb 0.06 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3hsr h ARG 125 CO -0.02 0.96 0.02 0.93 -1.51 0.00 0.00 179.97 180.35 3hsr h GLU 126 N 1.14 0.71 -0.77 0.20 5.08 -1.89 -1.69 114.58 117.37 3hsr h GLU 126 Ca 0.26 -0.22 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3hsr h GLU 126 Cb 0.24 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.39 3hsr h GLU 126 CO -0.02 0.79 0.32 0.00 -1.00 0.00 0.00 179.01 179.10 3hsr h ALA 127 N 0.90 1.00 -0.70 3.43 0.00 -0.81 -2.26 119.26 120.82 3hsr h ALA 127 Ca 0.12 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3hsr h ALA 127 Cb 0.45 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3hsr h ALA 127 CO 0.02 0.61 0.18 0.77 0.00 0.00 0.00 179.25 180.83 3hsr h SER 128 N 1.11 1.05 -0.55 0.00 0.02 -0.81 -0.18 113.55 114.19 3hsr h SER 128 Ca 0.26 -0.23 -0.04 0.00 -0.84 0.00 0.00 61.79 60.94 3hsr h SER 128 Cb 0.20 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 3hsr h SER 128 CO -0.02 1.00 0.18 0.44 -1.14 0.00 0.00 176.83 177.29 3hsr h ASP 129 N 1.04 0.80 -0.33 3.07 3.32 -1.16 0.67 116.42 123.83 3hsr h ASP 129 Ca 0.22 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 3hsr h ASP 129 Cb 0.35 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3hsr h ASP 129 CO -0.00 0.79 0.10 0.40 -1.72 0.00 0.00 179.24 178.81 3hsr h ILE 130 N 0.77 1.21 -0.25 0.35 2.04 -1.10 -1.58 117.51 118.95 3hsr h ILE 130 Ca 0.18 -0.68 0.05 0.00 1.00 0.00 0.00 64.86 65.40 3hsr h ILE 130 Cb 0.27 1.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.34 3hsr h ILE 130 CO -0.01 0.23 -0.03 0.40 0.00 0.00 0.00 178.15 178.75 3hsr h ILE 131 N 0.38 0.79 -0.87 -0.67 2.04 -0.86 -1.13 117.51 117.20 3hsr h ILE 131 Ca 0.11 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3hsr h ILE 131 Cb 0.26 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.04 3hsr h ILE 131 CO -0.00 0.01 0.56 0.78 0.00 0.00 0.00 178.15 179.49 3hsr h ASN 132 N 0.04 1.01 -0.18 1.72 -0.26 -0.71 0.14 115.58 117.34 3hsr h ASN 132 Ca 0.12 -0.04 0.04 0.00 -0.56 0.00 0.00 56.30 55.85 3hsr h ASN 132 Cb 0.16 -0.25 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 3hsr h ASN 132 CO -0.22 0.75 -0.04 0.78 -1.06 0.00 0.00 177.43 177.64 3hsr h ASN 133 N 1.18 -0.16 0.55 5.81 -0.26 -0.85 -1.89 115.58 119.97 3hsr h ASN 133 Ca 0.32 0.05 -0.23 0.00 -0.56 0.00 0.00 56.30 55.88 3hsr h ASN 133 Cb -0.11 0.11 -0.00 0.00 -1.06 0.00 0.00 38.32 37.26 3hsr h ASN 133 CO -0.07 -0.05 -1.02 -0.07 -1.06 0.00 0.00 177.43 175.16 3hsr h LEU 134 N 0.01 0.37 -0.48 1.61 3.38 -0.98 -1.55 115.31 117.67 3hsr h LEU 134 Ca 0.09 -0.34 -0.09 0.00 0.09 0.00 0.00 57.88 57.63 3hsr h LEU 134 Cb 0.13 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 3hsr h LEU 134 CO -0.18 1.18 -0.05 -0.09 0.09 0.00 0.00 178.44 179.39 3hsr h ARG 135 N 0.13 0.89 0.44 1.13 9.65 -0.72 0.11 114.38 126.00 3hsr h ARG 135 Ca -0.08 -0.31 -0.01 0.00 -1.10 0.00 0.00 59.98 58.48 3hsr h ARG 135 Cb 1.69 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 30.19 3hsr h ARG 135 CO 0.16 0.95 -0.32 -0.97 2.80 0.00 0.00 179.97 182.59 3hsr h ASN 136 N 0.74 -0.84 -0.64 -3.80 -1.24 -1.31 0.40 115.58 108.89 3hsr h ASN 136 Ca 0.13 0.06 0.12 0.00 0.71 0.00 0.00 56.30 57.32 3hsr h ASN 136 Cb 0.58 0.26 -0.09 0.00 0.73 0.00 0.00 38.32 39.80 3hsr h ASN 136 CO 0.03 -0.49 0.15 0.15 -1.29 0.00 0.00 177.43 175.99 3hsr h PHE 137 N -0.75 0.25 -0.53 0.67 3.57 -1.14 -1.40 116.94 117.60 3hsr h PHE 137 Ca -0.04 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.42 3hsr h PHE 137 Cb 0.64 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.35 3hsr h PHE 137 CO -0.14 -0.03 0.04 0.28 -2.23 0.00 0.00 178.31 176.24 3hsr h VAL 138 N 0.28 1.26 0.00 1.41 2.07 -0.43 -3.00 116.25 117.85 3hsr h VAL 138 Ca 0.34 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3hsr h VAL 138 Cb 0.52 0.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3hsr h VAL 138 CO -0.42 0.37 0.00 -1.54 0.02 0.00 0.00 177.57 176.00 3hsr n SER 139 N -4.33 0.66 -0.42 0.57 3.41 0.10 -1.90 113.62 111.70 3hsr n SER 139 Ca 0.02 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.36 3hsr n SER 139 Cb 0.29 -0.77 0.31 0.00 -0.26 0.00 0.00 64.21 63.79 3hsr n SER 139 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3hsr n LYS 140 N -2.17 1.26 0.00 4.33 5.02 -0.56 -4.73 118.16 121.31 3hsr n LYS 140 Ca 0.04 -0.85 0.00 0.00 -2.02 0.00 0.00 58.31 55.48 3hsr n LYS 140 Cb 0.33 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.13 1.47 0.00 4.39 3.02 -1.04 -5.09 115.26 117.89 3hsr n ASN 141 Ca 0.13 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.68 3hsr n ASN 141 Cb 0.40 0.09 0.00 0.00 -0.61 0.00 0.00 39.78 39.66 3hsr n ASN 141 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13