#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jiu s LYS 2 N 0.00 0.43 0.01 2.12 2.47 -1.26 -4.59 119.74 118.91 1jiu s LYS 2 Ca 0.00 -0.05 0.06 0.00 -1.56 0.00 0.00 55.97 54.41 1jiu s LYS 2 Cb 0.00 -0.49 -0.03 0.00 -1.46 0.00 0.00 37.83 35.85 1jiu s LYS 2 CO 0.00 -0.03 -0.16 0.42 0.16 0.00 0.00 175.35 175.74 1jiu s ILE 3 N 0.54 2.95 -0.08 5.43 1.01 0.56 -1.36 121.20 130.25 1jiu s ILE 3 Ca -0.06 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.64 1jiu s ILE 3 Cb -0.09 -2.21 0.01 0.00 0.01 0.00 0.00 42.46 40.18 1jiu s ILE 3 CO -0.01 0.43 -0.17 0.00 0.00 0.00 0.00 174.94 175.20 1jiu s ALA 4 N -0.86 1.62 -0.05 9.38 0.00 -0.76 -1.53 121.76 129.57 1jiu s ALA 4 Ca 0.14 -0.64 0.05 0.00 0.00 0.00 0.00 51.96 51.50 1jiu s ALA 4 Cb -0.11 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.36 1jiu s ALA 4 CO 0.04 0.19 -0.20 -1.50 0.00 0.00 0.00 175.76 174.29 1jiu s ILE 5 N 0.49 1.65 0.06 0.00 2.07 -0.50 -0.58 121.20 124.38 1jiu s ILE 5 Ca -0.15 -0.84 -0.05 0.00 -1.41 0.00 0.00 60.65 58.19 1jiu s ILE 5 Cb -0.16 -1.40 -0.02 0.00 0.13 0.00 0.00 42.46 41.01 1jiu s ILE 5 CO 0.06 0.47 0.09 0.27 -1.91 0.00 0.00 174.94 173.91 1jiu s ILE 6 N -0.07 0.17 -0.02 2.00 -0.00 -0.81 -1.78 121.20 120.69 1jiu s ILE 6 Ca -0.03 -1.38 -0.13 0.00 -0.00 0.00 0.00 60.65 59.11 1jiu s ILE 6 Cb -0.12 -1.30 -0.05 0.00 -0.00 0.00 0.00 42.46 40.99 1jiu s ILE 6 CO 0.02 -0.76 0.36 0.21 -0.00 0.00 0.00 174.94 174.77 1jiu s ASN 7 N -2.72 6.73 0.24 4.36 3.84 -1.26 -0.94 114.94 125.20 1jiu s ASN 7 Ca 0.03 0.87 0.12 0.00 0.21 0.00 0.00 52.86 54.09 1jiu s ASN 7 Cb 0.05 -2.22 0.16 0.00 -0.55 0.00 0.00 41.25 38.69 1jiu s ASN 7 CO -0.09 0.33 1.49 -0.03 -2.79 0.00 0.00 177.10 176.01 1jiu h MET 8 N 4.81 0.00 0.00 0.43 1.85 -1.67 -3.39 114.93 116.97 1jiu h MET 8 Ca -0.52 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 58.57 1jiu h MET 8 Cb 1.22 0.00 0.00 0.00 0.43 0.00 0.00 31.60 33.25 1jiu h MET 8 CO 0.61 0.67 -0.46 0.41 -0.40 0.00 0.00 176.91 177.74 1jiu n GLY 9 N 0.84 0.81 3.00 1.39 0.00 -1.26 -3.84 105.19 106.13 1jiu n GLY 9 Ca 0.00 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1jiu n GLY 9 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1jiu s ASN 10 N -1.13 0.03 0.42 1.61 -0.87 -1.26 -4.46 114.94 109.27 1jiu s ASN 10 Ca 0.02 -0.11 -0.23 0.00 -1.57 0.00 0.00 52.86 50.97 1jiu s ASN 10 Cb 0.02 0.16 -0.09 0.00 -0.02 0.00 0.00 41.25 41.32 1jiu s ASN 10 CO 0.00 -0.19 1.06 0.21 -2.57 0.00 0.00 177.10 175.62 1jiu s ASN 11 N -0.71 6.60 -0.15 -1.22 2.47 -1.26 -4.65 114.94 116.02 1jiu s ASN 11 Ca -0.08 2.05 0.01 0.00 0.42 0.00 0.00 52.86 55.26 1jiu s ASN 11 Cb -0.05 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.17 1jiu s ASN 11 CO 0.00 -0.60 -0.17 -0.69 -3.72 0.00 0.00 177.10 171.93 1jiu s VAL 12 N -1.70 2.54 0.11 -5.21 1.01 -1.26 -4.45 120.40 111.43 1jiu s VAL 12 Ca 0.60 -0.81 0.00 0.00 0.00 0.00 0.00 61.98 61.77 1jiu s VAL 12 Cb -0.22 -2.06 0.00 0.00 0.00 0.00 0.00 36.38 34.10 1jiu s VAL 12 CO 0.27 0.52 0.00 -0.38 0.00 0.00 0.00 175.10 175.51 1jiu n ILE 13 N 4.10 0.00 -3.16 2.22 5.41 -1.26 -4.85 119.36 121.82 1jiu n ILE 13 Ca -0.19 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.56 1jiu n ILE 13 Cb 0.52 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 1jiu n ILE 13 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 1jiu n ASN 14 N -2.82 0.38 -1.48 4.38 0.23 -1.26 -4.68 115.26 110.01 1jiu n ASN 14 Ca 0.00 -0.16 0.06 0.00 -0.53 0.00 0.00 54.58 53.95 1jiu n ASN 14 Cb 0.00 0.00 0.30 0.00 -2.08 0.00 0.00 39.78 38.00 1jiu n ASN 14 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 1jiu n PHE 15 N 0.00 1.46 -0.01 -2.53 3.72 -1.26 -3.92 117.46 114.92 1jiu n PHE 15 Ca 0.00 -0.52 -0.12 0.00 -0.05 0.00 0.00 57.45 56.76 1jiu n PHE 15 Cb 0.00 -0.36 0.02 0.00 -0.94 0.00 0.00 39.48 38.20 1jiu n PHE 15 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1jiu h LYS 16 N 3.05 0.62 -6.32 -1.08 1.57 -1.97 -3.26 116.57 109.19 1jiu h LYS 16 Ca 0.00 -0.43 -0.59 0.00 -1.87 0.00 0.00 60.65 57.76 1jiu h LYS 16 Cb 1.50 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.76 1jiu h LYS 16 CO 0.32 1.04 -0.65 0.95 -0.57 0.00 0.00 179.45 180.54 1jiu s THR 17 N -3.91 3.70 0.06 -0.16 -4.23 -1.26 -4.72 115.64 105.12 1jiu s THR 17 Ca -0.08 -1.49 -0.19 0.00 -1.18 0.00 0.00 61.69 58.75 1jiu s THR 17 Cb 0.11 -2.88 -0.12 0.00 1.34 0.00 0.00 72.50 70.94 1jiu s THR 17 CO 0.86 -0.15 1.39 0.58 -0.54 0.00 0.00 174.62 176.76 1jiu h VAL 18 N 2.36 1.32 -0.15 2.29 2.07 -1.94 -1.71 116.25 120.49 1jiu h VAL 18 Ca -0.47 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 1jiu h VAL 18 Cb 1.21 1.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.69 1jiu h VAL 18 CO 0.58 0.38 -0.18 1.55 0.02 0.00 0.00 177.57 179.93 1jiu h PRO 19 N 0.12 0.25 -0.26 1.57 0.13 -1.97 -0.53 132.00 131.31 1jiu h PRO 19 Ca 0.04 -0.07 -0.14 0.00 -0.87 0.00 0.00 66.00 64.96 1jiu h PRO 19 Cb 0.67 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 31.77 1jiu h PRO 19 CO 0.04 0.43 -0.38 1.03 -0.23 0.00 0.00 178.00 178.90 1jiu h SER 20 N 0.24 0.79 0.05 1.44 0.87 -1.77 -2.94 113.55 112.22 1jiu h SER 20 Ca 0.04 -0.51 -0.00 0.00 -1.23 0.00 0.00 61.79 60.09 1jiu h SER 20 Cb 0.46 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 1jiu h SER 20 CO 0.03 1.14 -0.03 0.28 -0.53 0.00 0.00 176.83 177.73 1jiu h SER 21 N 0.46 -0.06 0.13 6.23 0.02 -0.81 -2.25 113.55 117.27 1jiu h SER 21 Ca 0.03 -0.16 -0.02 0.00 -0.84 0.00 0.00 61.79 60.80 1jiu h SER 21 Cb 0.96 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.52 1jiu h SER 21 CO 0.09 0.12 -0.08 1.05 -1.14 0.00 0.00 176.83 176.87 1jiu h GLU 22 N -0.24 0.00 -0.09 3.45 4.11 -1.20 -0.70 114.58 119.91 1jiu h GLU 22 Ca -0.01 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 59.19 1jiu h GLU 22 Cb 0.21 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1jiu h GLU 22 CO 0.01 0.08 -0.86 1.15 0.07 0.00 0.00 179.01 179.46 1jiu h THR 23 N 0.00 1.30 -0.06 -1.06 2.02 -1.31 -1.95 112.91 111.85 1jiu h THR 23 Ca -0.00 -2.10 -0.16 0.00 0.77 0.00 0.00 66.41 64.92 1jiu h THR 23 Cb 0.17 2.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1jiu h THR 23 CO 0.01 0.65 -0.66 0.40 0.37 0.00 0.00 175.52 176.30 1jiu h ILE 24 N 0.45 1.41 -0.30 3.11 2.04 -0.84 -0.71 117.51 122.67 1jiu h ILE 24 Ca -0.07 -2.10 -0.03 0.00 1.00 0.00 0.00 64.86 63.65 1jiu h ILE 24 Cb 1.49 2.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.64 1jiu h ILE 24 CO 0.17 0.62 0.06 1.88 0.00 0.00 0.00 178.15 180.88 1jiu h TYR 25 N 0.17 0.52 -0.45 1.37 0.05 -1.14 0.77 116.97 118.26 1jiu h TYR 25 Ca -0.01 -0.07 -0.03 0.00 0.05 0.00 0.00 58.73 58.67 1jiu h TYR 25 Cb 1.18 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 38.76 1jiu h TYR 25 CO 0.02 0.57 0.17 -0.07 -1.05 0.00 0.00 178.16 177.81 1jiu h LEU 26 N 0.33 0.59 0.07 3.88 3.38 -1.19 0.12 115.31 122.48 1jiu h LEU 26 Ca 0.09 -0.07 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1jiu h LEU 26 Cb 0.32 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1jiu h LEU 26 CO 0.00 0.54 -0.03 0.15 0.09 0.00 0.00 178.44 179.19 1jiu h PHE 27 N 0.65 -0.09 -0.44 1.13 3.57 -0.63 -2.73 116.94 118.39 1jiu h PHE 27 Ca 0.16 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 1jiu h PHE 27 Cb 0.14 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 1jiu h PHE 27 CO 0.01 0.05 0.24 0.87 -2.23 0.00 0.00 178.31 177.25 1jiu h LYS 28 N -0.20 0.61 -0.70 1.11 1.57 0.15 -2.45 116.57 116.67 1jiu h LYS 28 Ca -0.01 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1jiu h LYS 28 Cb 0.17 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1jiu h LYS 28 CO 0.02 0.49 0.35 -0.39 -0.57 0.00 0.00 179.45 179.35 1jiu h VAL 29 N 0.58 1.22 -0.07 0.50 -1.51 -0.80 -0.45 116.25 115.72 1jiu h VAL 29 Ca 0.16 -0.59 -0.13 0.00 -1.23 0.00 0.00 66.70 64.90 1jiu h VAL 29 Cb 0.05 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.50 1jiu h VAL 29 CO -0.03 0.26 -0.56 0.40 -1.23 0.00 0.00 177.57 176.41 1jiu h ILE 30 N 0.99 1.37 -0.13 7.19 2.04 -1.36 -1.37 117.51 126.24 1jiu h ILE 30 Ca 0.25 -1.87 -0.12 0.00 1.00 0.00 0.00 64.86 64.11 1jiu h ILE 30 Cb 0.08 1.93 0.00 0.00 -0.74 0.00 0.00 36.82 38.09 1jiu h ILE 30 CO -0.03 0.55 -0.38 0.28 0.00 0.00 0.00 178.15 178.57 1jiu h SER 31 N 0.17 0.56 0.47 1.72 0.02 -1.00 -2.55 113.55 112.95 1jiu h SER 31 Ca -0.00 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.36 1jiu h SER 31 Cb 1.03 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1jiu h SER 31 CO 0.08 1.06 0.00 -0.62 -1.14 0.00 0.00 176.83 176.21 1jiu n GLU 32 N -4.32 0.08 0.00 3.45 1.02 -0.21 -1.15 120.64 119.50 1jiu n GLU 32 Ca -0.07 0.37 0.14 0.00 -0.02 0.00 0.00 57.16 57.58 1jiu n GLU 32 Cb 0.53 -1.67 0.56 0.00 -0.02 0.00 0.00 31.44 30.84 1jiu n GLU 32 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 1jiu n MET 33 N -1.82 1.53 -2.16 3.49 1.56 -0.52 -4.93 117.12 114.27 1jiu n MET 33 Ca 0.02 -0.83 0.00 0.00 -0.27 0.00 0.00 57.70 56.62 1jiu n MET 33 Cb 0.16 -1.48 0.00 0.00 2.15 0.00 0.00 33.22 34.04 1jiu n MET 33 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1jiu n GLY 34 N 1.17 0.77 3.03 -5.12 0.00 -0.30 -5.05 105.19 99.69 1jiu n GLY 34 Ca 0.19 -0.57 -0.15 0.00 0.00 0.00 0.00 46.02 45.50 1jiu n GLY 34 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jiu s LEU 35 N -1.28 2.15 -0.47 0.99 1.43 -1.06 -5.05 118.68 115.40 1jiu s LEU 35 Ca 0.00 -0.35 -0.24 0.00 -1.03 0.00 0.00 54.13 52.50 1jiu s LEU 35 Cb 0.00 -0.25 0.03 0.00 0.03 0.00 0.00 46.19 46.00 1jiu s LEU 35 CO 0.00 -0.07 0.88 0.21 0.23 0.00 0.00 176.35 177.60 1jiu s ASN 36 N -0.94 6.45 0.18 2.29 3.04 -1.26 -4.14 114.94 120.56 1jiu s ASN 36 Ca -0.04 -0.02 0.08 0.00 0.04 0.00 0.00 52.86 52.92 1jiu s ASN 36 Cb -0.07 -2.43 -0.04 0.00 -1.54 0.00 0.00 41.25 37.17 1jiu s ASN 36 CO 0.00 -1.03 -0.17 -0.69 -3.04 0.00 0.00 177.10 172.16 1jiu s VAL 37 N 3.63 1.83 0.01 -5.21 1.01 -1.26 -0.32 120.40 120.10 1jiu s VAL 37 Ca 0.34 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 60.32 1jiu s VAL 37 Cb -0.11 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.35 1jiu s VAL 37 CO 0.24 -0.39 -0.04 -1.81 0.00 0.00 0.00 175.10 173.11 1jiu s ASP 38 N -2.86 0.45 -0.16 3.32 1.01 -0.58 -4.96 116.67 112.88 1jiu s ASP 38 Ca 0.18 -0.26 -0.09 0.00 0.71 0.00 0.00 52.55 53.09 1jiu s ASP 38 Cb -0.05 0.01 -0.05 0.00 1.01 0.00 0.00 42.92 43.85 1jiu s ASP 38 CO 0.07 -0.09 0.15 -0.63 0.21 0.00 0.00 175.17 174.89 1jiu s ILE 39 N -0.65 5.43 -0.12 0.77 1.01 -1.26 -1.41 121.20 124.97 1jiu s ILE 39 Ca -0.05 0.24 -0.01 0.00 0.00 0.00 0.00 60.65 60.84 1jiu s ILE 39 Cb -0.05 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.94 1jiu s ILE 39 CO -0.00 0.51 -0.09 -0.63 0.00 0.00 0.00 174.94 174.72 1jiu s ILE 40 N -0.20 3.41 0.00 2.92 -1.09 -0.73 -0.14 121.20 125.36 1jiu s ILE 40 Ca 0.12 -0.55 0.00 0.00 -2.23 0.00 0.00 60.65 57.99 1jiu s ILE 40 Cb -0.12 -2.44 0.00 0.00 -1.58 0.00 0.00 42.46 38.32 1jiu s ILE 40 CO 0.01 0.53 0.00 -0.24 -1.23 0.00 0.00 174.94 174.01 1jiu n SER 41 N 3.22 0.00 -0.09 3.58 2.88 0.12 -4.48 113.62 118.86 1jiu n SER 41 Ca -0.18 -0.67 -0.08 0.00 -1.33 0.00 0.00 58.87 56.62 1jiu n SER 41 Cb 0.53 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1jiu n SER 41 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1jiu h LEU 42 N 0.00 0.19 -9.01 2.46 3.38 -1.89 0.12 115.31 110.56 1jiu h LEU 42 Ca 0.00 0.02 -0.40 0.00 0.09 0.00 0.00 57.88 57.59 1jiu h LEU 42 Cb 0.00 -0.01 -0.14 0.00 0.09 0.00 0.00 40.66 40.60 1jiu h LEU 42 CO 0.00 0.15 -0.60 -0.54 0.09 0.00 0.00 178.44 177.54 1jiu s LYS 43 N -6.17 1.52 0.41 1.13 1.02 -1.26 -4.10 119.74 112.30 1jiu s LYS 43 Ca -0.13 -1.84 -0.24 0.00 0.02 0.00 0.00 55.97 53.78 1jiu s LYS 43 Cb 0.11 -0.39 -0.09 0.00 -0.52 0.00 0.00 37.83 36.94 1jiu s LYS 43 CO 0.71 -0.31 1.08 1.21 -0.92 0.00 0.00 175.35 177.12 1jiu s ASN 44 N -3.38 6.61 0.12 2.83 2.47 -1.26 -4.15 114.94 118.17 1jiu s ASN 44 Ca 0.36 2.11 -0.08 0.00 0.42 0.00 0.00 52.86 55.67 1jiu s ASN 44 Cb 0.07 -2.59 0.03 0.00 -1.45 0.00 0.00 41.25 37.31 1jiu s ASN 44 CO 0.15 -0.60 0.39 0.61 -3.72 0.00 0.00 177.10 173.92 1jiu n GLY 45 N 0.35 1.27 0.30 1.21 0.00 -0.39 -4.94 105.19 102.99 1jiu n GLY 45 Ca 0.06 -1.06 0.08 0.00 0.00 0.00 0.00 46.02 45.09 1jiu n GLY 45 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jiu h VAL 46 N 1.42 0.64 -0.09 1.61 2.07 -1.96 -2.94 116.25 116.99 1jiu h VAL 46 Ca -0.13 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1jiu h VAL 46 Cb 0.51 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1jiu h VAL 46 CO 0.17 0.09 0.00 -1.22 0.02 0.00 0.00 177.57 176.63 1jiu n TYR 47 N -4.96 0.12 -4.11 1.57 4.01 -1.26 -5.07 117.16 107.46 1jiu n TYR 47 Ca 0.17 -0.32 -0.09 0.00 -0.16 0.00 0.00 57.90 57.50 1jiu n TYR 47 Cb 0.48 -0.03 -0.10 0.00 -0.31 0.00 0.00 39.34 39.38 1jiu n TYR 47 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1jiu s THR 48 N -0.78 0.41 0.19 -0.72 -4.23 -1.11 -4.01 115.64 105.39 1jiu s THR 48 Ca 0.08 -1.73 0.07 0.00 -1.18 0.00 0.00 61.69 58.93 1jiu s THR 48 Cb 0.05 -1.41 -0.04 0.00 1.34 0.00 0.00 72.50 72.44 1jiu s THR 48 CO 0.06 -0.87 0.07 -0.54 -0.54 0.00 0.00 174.62 172.81 1jiu s LYS 49 N -3.51 2.64 0.19 3.99 1.02 0.80 -1.26 119.74 123.61 1jiu s LYS 49 Ca 0.06 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 54.72 1jiu s LYS 49 Cb 0.04 -2.47 -0.08 0.00 -0.52 0.00 0.00 37.83 34.80 1jiu s LYS 49 CO -0.07 0.45 0.84 0.45 -0.92 0.00 0.00 175.35 176.10 1jiu s SER 50 N -3.21 7.49 0.24 2.83 0.15 -1.26 -0.70 113.70 119.24 1jiu s SER 50 Ca 0.30 1.76 -0.06 0.00 0.70 0.00 0.00 55.95 58.65 1jiu s SER 50 Cb -0.09 -2.54 0.42 0.00 -1.71 0.00 0.00 66.02 62.10 1jiu s SER 50 CO 0.21 0.19 1.71 -0.26 1.20 0.00 0.00 173.24 176.29 1jiu h PHE 51 N 4.26 0.38 -0.33 3.44 0.04 -0.90 -1.81 116.94 122.02 1jiu h PHE 51 Ca -0.46 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.35 1jiu h PHE 51 Cb 1.20 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.30 1jiu h PHE 51 CO 0.63 0.00 0.00 -0.40 -0.60 0.00 0.00 178.31 177.94 1jiu n ASP 52 N -5.07 2.85 -0.02 2.17 5.68 -1.26 -3.71 116.55 117.18 1jiu n ASP 52 Ca 0.13 -2.27 0.00 0.00 -0.50 0.00 0.00 54.79 52.15 1jiu n ASP 52 Cb 0.41 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.94 1jiu n ASP 52 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1jiu n GLU 53 N 0.45 1.80 -4.16 0.11 1.02 -0.68 -5.03 120.64 114.14 1jiu n GLU 53 Ca 0.14 -1.22 -0.11 0.00 -0.02 0.00 0.00 57.16 55.95 1jiu n GLU 53 Cb 0.56 -1.01 -0.10 0.00 -0.02 0.00 0.00 31.44 30.87 1jiu n GLU 53 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1jiu s VAL 54 N -0.71 0.67 -0.27 2.62 -7.23 -1.21 -4.94 120.40 109.34 1jiu s VAL 54 Ca 0.01 -1.85 -0.07 0.00 -1.81 0.00 0.00 61.98 58.26 1jiu s VAL 54 Cb 0.00 -1.58 -0.00 0.00 0.56 0.00 0.00 36.38 35.36 1jiu s VAL 54 CO 0.01 -0.83 0.06 -0.62 -0.31 0.00 0.00 175.10 173.41 1jiu s ASP 55 N -2.90 5.02 0.58 4.85 2.15 -1.26 -4.98 116.67 120.13 1jiu s ASP 55 Ca 0.10 -0.54 0.31 0.00 0.43 0.00 0.00 52.55 52.84 1jiu s ASP 55 Cb 0.04 -1.87 1.38 0.00 -0.30 0.00 0.00 42.92 42.17 1jiu s ASP 55 CO -0.04 -0.13 1.72 1.62 -0.17 0.00 0.00 175.17 178.17 1jiu h VAL 56 N 5.77 0.28 -0.01 1.11 3.04 -1.92 0.24 116.25 124.76 1jiu h VAL 56 Ca -0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1jiu h VAL 56 Cb 1.14 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1jiu h VAL 56 CO 0.60 0.00 -0.06 0.59 -1.01 0.00 0.00 177.57 177.68 1jiu n ASN 57 N -3.74 0.57 0.11 3.17 3.02 -1.26 -3.07 115.26 114.06 1jiu n ASN 57 Ca 0.18 -0.85 0.12 0.00 -0.03 0.00 0.00 54.58 54.00 1jiu n ASN 57 Cb 1.08 -0.04 0.47 0.00 -0.61 0.00 0.00 39.78 40.67 1jiu n ASN 57 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jiu n ASP 58 N -0.75 0.61 -4.86 6.41 8.00 0.85 -4.71 116.55 122.11 1jiu n ASP 58 Ca 0.17 0.64 -0.32 0.00 0.71 0.00 0.00 54.79 55.99 1jiu n ASP 58 Cb 0.26 -0.77 -0.05 0.00 -0.02 0.00 0.00 41.12 40.53 1jiu n ASP 58 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1jiu s TYR 59 N -3.27 3.43 -1.46 1.24 2.02 -1.18 -4.74 117.35 113.40 1jiu s TYR 59 Ca 0.05 0.26 0.19 0.00 -0.37 0.00 0.00 57.07 57.20 1jiu s TYR 59 Cb 0.10 -1.77 -0.07 0.00 -0.40 0.00 0.00 41.96 39.82 1jiu s TYR 59 CO 0.40 0.60 0.90 -0.25 -1.57 0.00 0.00 175.55 175.63 1jiu n ASP 60 N 0.80 1.51 -3.77 2.29 8.00 -0.46 -4.93 116.55 119.99 1jiu n ASP 60 Ca -0.10 -1.26 -0.13 0.00 0.71 0.00 0.00 54.79 54.02 1jiu n ASP 60 Cb 0.52 0.64 -0.12 0.00 -0.02 0.00 0.00 41.12 42.15 1jiu n ASP 60 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1jiu s ARG 61 N -2.35 0.27 -0.14 -1.24 1.81 -1.20 -4.97 118.95 111.13 1jiu s ARG 61 Ca 0.13 0.39 -0.00 0.00 -1.72 0.00 0.00 55.73 54.53 1jiu s ARG 61 Cb 0.15 0.08 0.03 0.00 -0.45 0.00 0.00 34.95 34.75 1jiu s ARG 61 CO 0.57 -0.07 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.86 1jiu s LEU 62 N 0.40 1.54 -0.15 2.53 2.96 -1.26 -1.82 118.68 122.87 1jiu s LEU 62 Ca -0.02 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.37 1jiu s LEU 62 Cb -0.04 -1.01 -0.03 0.00 0.50 0.00 0.00 46.19 45.61 1jiu s LEU 62 CO -0.02 -0.11 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.22 1jiu s ILE 63 N 1.59 3.79 -0.18 6.68 1.01 0.25 -0.82 121.20 133.51 1jiu s ILE 63 Ca 0.04 -0.39 -0.01 0.00 0.00 0.00 0.00 60.65 60.28 1jiu s ILE 63 Cb -0.13 -2.65 0.00 0.00 0.01 0.00 0.00 42.46 39.69 1jiu s ILE 63 CO -0.09 0.49 -0.14 -0.69 0.00 0.00 0.00 174.94 174.52 1jiu s VAL 64 N 0.39 2.67 -0.35 2.92 1.01 0.94 -1.92 120.40 126.05 1jiu s VAL 64 Ca -0.05 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.90 1jiu s VAL 64 Cb -0.14 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.10 1jiu s VAL 64 CO 0.03 0.50 1.08 -0.69 0.00 0.00 0.00 175.10 176.02 1jiu s VAL 65 N 1.20 4.45 0.65 2.92 1.01 -0.11 -1.07 120.40 129.46 1jiu s VAL 65 Ca 0.02 1.62 -0.17 0.00 0.00 0.00 0.00 61.98 63.44 1jiu s VAL 65 Cb -0.14 -4.45 -0.08 0.00 0.00 0.00 0.00 36.38 31.71 1jiu s VAL 65 CO -0.06 -0.58 0.29 -0.46 0.00 0.00 0.00 175.10 174.29 1jiu n ASN 66 N 7.05 -2.03 -3.54 3.32 2.04 -1.01 -1.98 115.26 119.11 1jiu n ASN 66 Ca 0.12 0.61 -0.04 0.00 -0.44 0.00 0.00 54.58 54.84 1jiu n ASN 66 Cb 0.47 -1.09 0.00 0.00 -2.53 0.00 0.00 39.78 36.63 1jiu n ASN 66 CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 1jiu s SER 67 N -1.25 -0.09 0.10 0.53 1.04 -1.26 -4.66 113.70 108.10 1jiu s SER 67 Ca 0.63 -0.57 -0.28 0.00 0.48 0.00 0.00 55.95 56.21 1jiu s SER 67 Cb -0.39 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.18 1jiu s SER 67 CO 0.60 -1.00 0.87 -0.55 0.98 0.00 0.00 173.24 174.15 1jiu s SER 68 N -3.13 7.40 -0.46 7.02 0.15 -1.26 -4.79 113.70 118.62 1jiu s SER 68 Ca 0.16 1.67 0.04 0.00 0.70 0.00 0.00 55.95 58.52 1jiu s SER 68 Cb -0.02 -2.54 0.52 0.00 -1.71 0.00 0.00 66.02 62.27 1jiu s SER 68 CO 0.04 0.00 1.74 2.30 1.20 0.00 0.00 173.24 178.52 1jiu n ILE 69 N 2.60 3.09 -3.65 6.45 -0.00 -1.26 -4.51 119.36 122.09 1jiu n ILE 69 Ca -0.00 -2.83 -0.37 0.00 -0.00 0.00 0.00 62.75 59.55 1jiu n ILE 69 Cb 0.49 -0.77 -0.10 0.00 -0.00 0.00 0.00 39.64 39.26 1jiu n ILE 69 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.55 176.75 1jiu s ASN 70 N -2.15 6.11 -1.13 7.28 -0.87 -1.26 -4.95 114.94 117.98 1jiu s ASN 70 Ca 0.56 0.11 -0.17 0.00 -1.57 0.00 0.00 52.86 51.78 1jiu s ASN 70 Cb 0.46 -2.11 0.12 0.00 -0.02 0.00 0.00 41.25 39.70 1jiu s ASN 70 CO 0.03 0.05 1.42 -0.36 -2.57 0.00 0.00 177.10 175.67 1jiu s PHE 71 N 1.14 3.09 0.40 2.20 0.08 -1.26 -4.98 117.98 118.65 1jiu s PHE 71 Ca 0.08 -1.63 -0.27 0.00 0.12 0.00 0.00 56.93 55.23 1jiu s PHE 71 Cb -0.14 -4.46 -0.09 0.00 -0.57 0.00 0.00 43.02 37.75 1jiu s PHE 71 CO 0.05 -1.60 1.39 -0.06 -0.10 0.00 0.00 175.22 174.91 1jiu s PHE 72 N 2.97 2.69 0.11 0.36 0.08 -1.26 -4.73 117.98 118.20 1jiu s PHE 72 Ca 0.43 1.30 0.00 0.00 0.12 0.00 0.00 56.93 58.78 1jiu s PHE 72 Cb -0.01 -3.84 0.00 0.00 -0.57 0.00 0.00 43.02 38.59 1jiu s PHE 72 CO -0.02 -2.55 0.00 0.41 -0.10 0.00 0.00 175.22 172.96 1jiu n GLY 73 N 0.60 -1.99 2.65 4.36 0.00 -1.26 -4.25 105.19 105.31 1jiu n GLY 73 Ca 0.03 -1.34 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 1jiu n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jiu n GLY 74 N -1.79 6.14 3.15 -0.02 0.00 -1.26 -4.95 105.19 106.46 1jiu n GLY 74 Ca 0.00 -2.58 -0.12 0.00 0.00 0.00 0.00 46.02 43.32 1jiu n GLY 74 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1jiu s LYS 75 N -4.32 0.51 0.28 1.61 2.20 -1.26 -5.08 119.74 113.68 1jiu s LYS 75 Ca 0.39 -0.20 -0.29 0.00 -0.36 0.00 0.00 55.97 55.51 1jiu s LYS 75 Cb 0.19 0.22 -0.09 0.00 -1.51 0.00 0.00 37.83 36.64 1jiu s LYS 75 CO -0.13 -0.12 1.04 -2.14 -0.36 0.00 0.00 175.35 173.64 1jiu s PRO 76 N -1.09 4.68 -0.37 4.03 0.02 -1.26 -4.77 135.00 136.24 1jiu s PRO 76 Ca -0.12 1.67 -0.07 0.00 0.02 0.00 0.00 61.00 62.51 1jiu s PRO 76 Cb -0.06 -3.17 0.06 0.00 0.02 0.00 0.00 34.50 31.35 1jiu s PRO 76 CO 0.02 0.29 0.16 1.21 -0.33 0.00 0.00 177.00 178.35 1jiu s ASN 77 N -1.04 5.40 0.40 2.53 3.84 -1.26 -4.97 114.94 119.84 1jiu s ASN 77 Ca 0.44 -1.32 0.08 0.00 0.21 0.00 0.00 52.86 52.27 1jiu s ASN 77 Cb -0.29 -1.90 0.82 0.00 -0.55 0.00 0.00 41.25 39.33 1jiu s ASN 77 CO 0.37 -0.40 1.98 -0.07 -2.79 0.00 0.00 177.10 176.19 1jiu h LEU 78 N 8.26 0.36 -0.41 3.21 4.07 -1.98 -1.70 115.31 127.13 1jiu h LEU 78 Ca -0.22 -0.04 0.03 0.00 0.08 0.00 0.00 57.88 57.73 1jiu h LEU 78 Cb 1.08 -0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.69 1jiu h LEU 78 CO 0.65 0.37 0.20 0.00 -1.08 0.00 0.00 178.44 178.58 1jiu h ALA 79 N 1.68 0.50 0.26 1.53 0.00 -1.92 0.35 119.26 121.66 1jiu h ALA 79 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1jiu h ALA 79 Cb 0.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1jiu h ALA 79 CO -0.00 -0.16 -0.13 0.82 0.00 0.00 0.00 179.25 179.77 1jiu h ILE 80 N 0.40 0.56 -0.20 0.00 2.04 -1.59 -2.96 117.51 115.76 1jiu h ILE 80 Ca 0.17 -0.88 0.05 0.00 1.00 0.00 0.00 64.86 65.20 1jiu h ILE 80 Cb 0.09 0.92 -0.05 0.00 -0.74 0.00 0.00 36.82 37.04 1jiu h ILE 80 CO -0.13 0.14 -0.12 -0.07 0.00 0.00 0.00 178.15 177.97 1jiu h LEU 81 N -0.93 -0.39 -1.07 1.44 3.38 -1.25 -1.07 115.31 115.41 1jiu h LEU 81 Ca -0.04 0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1jiu h LEU 81 Cb 0.49 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 1jiu h LEU 81 CO 0.06 -0.15 0.19 0.28 0.09 0.00 0.00 178.44 178.90 1jiu h SER 82 N -0.11 0.78 -0.65 -0.43 0.02 -0.45 -1.17 113.55 111.54 1jiu h SER 82 Ca 0.12 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 1jiu h SER 82 Cb 0.28 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.59 1jiu h SER 82 CO -0.27 0.73 0.10 0.00 -1.14 0.00 0.00 176.83 176.25 1jiu h ALA 83 N 1.38 0.86 -0.04 3.77 0.00 -1.25 -1.55 119.26 122.43 1jiu h ALA 83 Ca 0.19 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.70 1jiu h ALA 83 Cb 0.23 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1jiu h ALA 83 CO -0.01 0.63 -0.58 1.96 0.00 0.00 0.00 179.25 181.24 1jiu h GLN 84 N 0.99 0.13 -0.10 0.00 1.08 -0.81 -1.59 115.11 114.80 1jiu h GLN 84 Ca 0.20 -0.08 -0.02 0.00 -1.45 0.00 0.00 58.65 57.30 1jiu h GLN 84 Cb 0.44 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1jiu h GLN 84 CO 0.01 0.67 -0.00 0.87 -0.95 0.00 0.00 178.83 179.43 1jiu h LYS 85 N 0.09 0.17 -0.14 1.46 1.57 -0.97 0.23 116.57 118.98 1jiu h LYS 85 Ca -0.00 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.77 1jiu h LYS 85 Cb 1.05 -0.02 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 1jiu h LYS 85 CO 0.08 0.43 -0.23 0.35 -0.57 0.00 0.00 179.45 179.52 1jiu h PHE 86 N -0.11 -0.60 -0.73 -1.35 3.57 -1.16 -1.85 116.94 114.71 1jiu h PHE 86 Ca 0.03 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1jiu h PHE 86 Cb 0.36 0.29 -0.03 0.00 2.79 0.00 0.00 35.95 39.35 1jiu h PHE 86 CO 0.03 -0.31 0.38 0.52 -2.23 0.00 0.00 178.31 176.71 1jiu h MET 87 N -0.28 1.03 -0.49 1.11 2.86 -1.21 -2.75 114.93 115.20 1jiu h MET 87 Ca 0.10 -0.13 0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1jiu h MET 87 Cb 0.44 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 1jiu h MET 87 CO -0.31 0.78 0.33 0.00 1.06 0.00 0.00 176.91 178.77 1jiu h ALA 88 N 1.19 1.98 -0.26 6.32 0.00 0.24 -1.81 119.26 126.91 1jiu h ALA 88 Ca 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jiu h ALA 88 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1jiu h ALA 88 CO -0.04 -0.07 0.00 0.36 0.00 0.00 0.00 179.25 179.50 1jiu n LYS 89 N -4.47 2.07 -3.06 0.00 2.85 -0.77 -4.62 118.16 110.16 1jiu n LYS 89 Ca 0.07 -1.62 -0.40 0.00 -1.05 0.00 0.00 58.31 55.31 1jiu n LYS 89 Cb 0.29 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.18 1jiu n LYS 89 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1jiu s TYR 90 N -1.66 3.61 0.05 5.58 5.04 -0.68 -4.88 117.35 124.40 1jiu s TYR 90 Ca 0.35 1.26 -0.13 0.00 -2.44 0.00 0.00 57.07 56.11 1jiu s TYR 90 Cb 0.20 -2.78 -0.32 0.00 0.35 0.00 0.00 41.96 39.40 1jiu s TYR 90 CO 0.28 0.14 1.06 0.87 -1.34 0.00 0.00 175.55 176.56 1jiu h LYS 91 N 6.51 0.49 0.00 4.97 1.57 -1.89 -3.42 116.57 124.80 1jiu h LYS 91 Ca -0.42 -0.80 -0.01 0.00 -1.87 0.00 0.00 60.65 57.56 1jiu h LYS 91 Cb 1.20 0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.80 1jiu h LYS 91 CO 0.74 1.38 0.00 0.43 -0.57 0.00 0.00 179.45 181.43 1jiu n SER 92 N -3.69 0.01 -4.76 0.86 7.64 -1.26 -4.82 113.62 107.60 1jiu n SER 92 Ca -0.14 -1.01 -0.41 0.00 1.01 0.00 0.00 58.87 58.32 1jiu n SER 92 Cb 1.06 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 64.22 1jiu n SER 92 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1jiu s LYS 93 N -2.81 4.48 -0.12 1.43 2.20 -1.26 -4.48 119.74 119.17 1jiu s LYS 93 Ca 0.01 2.01 -0.05 0.00 -0.36 0.00 0.00 55.97 57.58 1jiu s LYS 93 Cb -0.00 -3.15 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 1jiu s LYS 93 CO 0.01 -0.04 0.07 0.42 -0.36 0.00 0.00 175.35 175.44 1jiu s ILE 94 N -0.87 4.86 -0.37 5.43 1.01 -0.72 -4.29 121.20 126.25 1jiu s ILE 94 Ca 0.49 -0.03 -0.11 0.00 0.00 0.00 0.00 60.65 61.00 1jiu s ILE 94 Cb -0.36 -3.11 0.02 0.00 0.01 0.00 0.00 42.46 39.02 1jiu s ILE 94 CO 0.45 0.57 0.20 -0.31 0.00 0.00 0.00 174.94 175.86 1jiu s TYR 95 N -0.61 3.23 -0.40 3.97 2.02 -0.00 -0.90 117.35 124.67 1jiu s TYR 95 Ca 0.11 -0.88 -0.17 0.00 -0.37 0.00 0.00 57.07 55.76 1jiu s TYR 95 Cb -0.12 -2.43 0.01 0.00 -0.40 0.00 0.00 41.96 39.02 1jiu s TYR 95 CO 0.02 -0.61 0.45 -0.47 -1.57 0.00 0.00 175.55 173.37 1jiu s TYR 96 N 1.57 3.17 -0.63 2.71 5.04 0.55 -0.04 117.35 129.73 1jiu s TYR 96 Ca 0.03 -0.20 -0.27 0.00 -2.44 0.00 0.00 57.07 54.19 1jiu s TYR 96 Cb -0.19 -2.89 0.04 0.00 0.35 0.00 0.00 41.96 39.27 1jiu s TYR 96 CO 0.07 -0.64 1.15 -0.51 -1.34 0.00 0.00 175.55 174.28 1jiu s LEU 97 N 2.20 3.57 -0.68 6.97 1.43 -0.23 -0.67 118.68 131.26 1jiu s LEU 97 Ca 0.14 -0.23 -0.19 0.00 -1.03 0.00 0.00 54.13 52.82 1jiu s LEU 97 Cb -0.16 -2.87 0.12 0.00 0.03 0.00 0.00 46.19 43.31 1jiu s LEU 97 CO 0.14 -1.53 0.81 0.12 0.23 0.00 0.00 176.35 176.12 1jiu s PHE 98 N 4.92 3.06 -0.37 0.29 5.36 0.17 -2.40 117.98 129.01 1jiu s PHE 98 Ca 0.37 -1.10 0.07 0.00 -0.96 0.00 0.00 56.93 55.31 1jiu s PHE 98 Cb -0.09 -4.07 -0.08 0.00 -0.34 0.00 0.00 43.02 38.44 1jiu s PHE 98 CO 0.20 -1.34 0.33 0.25 -1.46 0.00 0.00 175.22 173.20 1jiu n THR 99 N 5.41 0.00 -4.21 0.12 -2.24 -1.26 -2.57 114.28 109.54 1jiu n THR 99 Ca -0.01 -0.33 -0.27 0.00 -2.27 0.00 0.00 64.05 61.17 1jiu n THR 99 Cb 0.44 1.00 -0.17 0.00 -2.10 0.00 0.00 70.33 69.51 1jiu n THR 99 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1jiu s ASP 100 N -1.67 2.19 0.35 3.42 3.68 -1.26 -4.98 116.67 118.38 1jiu s ASP 100 Ca 0.03 -0.35 0.14 0.00 2.13 0.00 0.00 52.55 54.50 1jiu s ASP 100 Cb 0.06 -0.93 1.04 0.00 -1.45 0.00 0.00 42.92 41.64 1jiu s ASP 100 CO 0.30 -0.04 1.69 0.40 0.13 0.00 0.00 175.17 177.65 1jiu h ILE 101 N 6.06 0.39 -0.75 4.11 5.03 -1.96 -1.74 117.51 128.65 1jiu h ILE 101 Ca -0.32 -0.14 -0.34 0.00 -0.12 0.00 0.00 64.86 63.95 1jiu h ILE 101 Cb 1.15 -0.05 -0.20 0.00 -3.03 0.00 0.00 36.82 34.69 1jiu h ILE 101 CO 0.46 0.07 0.43 -2.11 -0.68 0.00 0.00 178.15 176.32 1jiu n ARG 102 N -4.93 2.49 -2.61 2.37 1.85 -1.26 -4.47 116.66 110.10 1jiu n ARG 102 Ca 0.30 -2.50 -0.13 0.00 -1.00 0.00 0.00 57.85 54.52 1jiu n ARG 102 Cb 0.92 -2.00 0.03 0.00 -1.05 0.00 0.00 32.46 30.35 1jiu n ARG 102 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1jiu n LEU 103 N -0.57 2.37 -4.75 2.89 4.77 -0.66 -4.93 117.00 116.13 1jiu n LEU 103 Ca 0.44 -4.01 -0.32 0.00 -0.03 0.00 0.00 56.01 52.08 1jiu n LEU 103 Cb 1.38 0.20 0.08 0.00 -2.33 0.00 0.00 43.42 42.75 1jiu n LEU 103 CO 0.45 1.67 0.73 -2.16 -1.33 0.00 0.00 177.39 176.76 1jiu s PRO 104 N -3.33 2.29 0.73 3.23 0.04 -1.26 -4.26 135.00 132.44 1jiu s PRO 104 Ca 0.33 1.43 -0.15 0.00 0.04 0.00 0.00 61.00 62.65 1jiu s PRO 104 Cb 0.43 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 33.12 1jiu s PRO 104 CO -0.02 -1.65 1.20 0.12 0.04 0.00 0.00 177.00 176.68 1jiu s PHE 105 N -2.46 2.08 -0.23 0.56 5.36 -1.26 -4.90 117.98 117.13 1jiu s PHE 105 Ca 0.67 1.60 -0.29 0.00 -0.96 0.00 0.00 56.93 57.95 1jiu s PHE 105 Cb -0.22 -3.44 0.16 0.00 -0.34 0.00 0.00 43.02 39.18 1jiu s PHE 105 CO 0.48 -2.54 1.19 0.45 -1.46 0.00 0.00 175.22 173.34 1jiu s SER 106 N -2.11 -0.20 0.24 6.13 0.15 -1.26 -4.91 113.70 111.75 1jiu s SER 106 Ca 0.73 0.22 -0.30 0.00 0.70 0.00 0.00 55.95 57.30 1jiu s SER 106 Cb -0.28 0.17 -0.09 0.00 -1.71 0.00 0.00 66.02 64.10 1jiu s SER 106 CO 0.46 -0.18 1.34 -1.58 1.20 0.00 0.00 173.24 174.47 1jiu s GLN 107 N -1.03 4.36 0.16 5.44 2.00 -1.26 -4.92 119.66 124.41 1jiu s GLN 107 Ca 0.04 2.15 0.23 0.00 -2.00 0.00 0.00 55.36 55.78 1jiu s GLN 107 Cb -0.01 -3.14 0.07 0.00 0.80 0.00 0.00 33.01 30.73 1jiu s GLN 107 CO -0.04 -0.27 1.09 -1.13 -0.50 0.00 0.00 175.29 174.44 1jiu n SER 108 N 2.10 0.76 -0.28 6.67 3.41 -1.26 -4.27 113.62 120.74 1jiu n SER 108 Ca 0.05 0.20 0.02 0.00 -0.26 0.00 0.00 58.87 58.88 1jiu n SER 108 Cb 0.42 0.48 0.15 0.00 -0.26 0.00 0.00 64.21 65.00 1jiu n SER 108 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 1jiu h TRP 109 N 0.00 0.80 -0.78 7.33 2.91 -1.91 -1.52 115.95 122.78 1jiu h TRP 109 Ca 0.00 0.03 0.09 0.00 1.13 0.00 0.00 58.89 60.14 1jiu h TRP 109 Cb 0.90 -0.24 -0.05 0.00 -0.51 0.00 0.00 29.16 29.26 1jiu h TRP 109 CO 0.00 0.33 0.51 -1.35 -1.03 0.00 0.00 178.44 176.89 1jiu h PRO 110 N 0.75 0.70 0.00 2.65 0.11 -2.00 0.39 132.00 134.60 1jiu h PRO 110 Ca 0.38 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.45 1jiu h PRO 110 Cb 0.34 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1jiu h PRO 110 CO -0.24 0.46 0.00 0.09 -0.21 0.00 0.00 178.00 178.10 1jiu n ASN 111 N -4.50 0.00 -0.11 -2.05 5.03 -0.61 -4.09 115.26 108.93 1jiu n ASN 111 Ca 0.13 0.35 -0.21 0.00 0.87 0.00 0.00 54.58 55.71 1jiu n ASN 111 Cb 0.32 -0.45 -0.09 0.00 -1.02 0.00 0.00 39.78 38.54 1jiu n ASN 111 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1jiu n VAL 112 N -1.45 1.23 -0.36 2.41 0.31 -0.03 -4.45 118.33 115.99 1jiu n VAL 112 Ca 0.09 -0.36 0.31 0.00 -0.01 0.00 0.00 64.34 64.36 1jiu n VAL 112 Cb 0.31 -1.62 0.57 0.00 -0.91 0.00 0.00 33.84 32.19 1jiu n VAL 112 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1jiu h LYS 113 N -0.54 0.12 -0.00 5.55 2.10 -1.26 0.31 116.57 122.83 1jiu h LYS 113 Ca -0.54 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.10 1jiu h LYS 113 Cb 1.57 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.88 1jiu h LYS 113 CO -0.26 0.08 -0.41 0.09 -2.00 0.00 0.00 179.45 176.95 1jiu n ASN 114 N -5.06 0.68 -4.80 7.07 3.02 -1.26 -4.83 115.26 110.08 1jiu n ASN 114 Ca 0.36 -0.47 -0.31 0.00 -0.03 0.00 0.00 54.58 54.12 1jiu n ASN 114 Cb 1.23 0.20 0.06 0.00 -0.61 0.00 0.00 39.78 40.67 1jiu n ASN 114 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1jiu s ARG 115 N -2.82 2.77 0.48 3.52 1.81 0.11 -4.96 118.95 119.86 1jiu s ARG 115 Ca 0.16 1.03 0.27 0.00 -1.72 0.00 0.00 55.73 55.47 1jiu s ARG 115 Cb 0.18 -1.97 0.83 0.00 -0.45 0.00 0.00 34.95 33.55 1jiu s ARG 115 CO 0.63 -1.23 1.79 -1.00 -0.68 0.00 0.00 175.30 174.81 1jiu h PRO 116 N -0.76 0.00 -0.63 3.54 0.13 -1.91 -2.94 132.00 129.43 1jiu h PRO 116 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1jiu h PRO 116 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1jiu h PRO 116 CO 0.55 0.06 0.00 -2.67 -0.23 0.00 0.00 178.00 175.72 1jiu n TRP 117 N -3.14 1.16 0.27 1.56 4.27 -1.26 -4.40 117.44 115.90 1jiu n TRP 117 Ca 0.02 -0.45 0.15 0.00 -3.89 0.00 0.00 57.50 53.33 1jiu n TRP 117 Cb 0.44 -0.23 0.85 0.00 -1.36 0.00 0.00 31.31 31.01 1jiu n TRP 117 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1jiu h ALA 118 N 3.65 1.68 0.00 -1.67 0.00 -1.73 -2.14 119.26 119.05 1jiu h ALA 118 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1jiu h ALA 118 Cb 1.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1jiu h ALA 118 CO 0.21 -0.08 0.00 0.10 0.00 0.00 0.00 179.25 179.48 1jiu h TYR 119 N 0.00 0.00 0.00 0.00 -0.00 -1.86 -2.25 116.97 112.87 1jiu h TYR 119 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.75 1jiu h TYR 119 Cb 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.85 1jiu h TYR 119 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 178.16 179.44 1jiu n LEU 120 N -2.88 0.18 -4.18 0.10 4.77 -0.81 -4.85 117.00 109.33 1jiu n LEU 120 Ca -0.01 0.53 -0.13 0.00 -0.03 0.00 0.00 56.01 56.36 1jiu n LEU 120 Cb 0.14 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.64 1jiu n LEU 120 CO 0.20 -0.14 -0.41 -0.31 -1.33 0.00 0.00 177.39 175.41 1jiu s TYR 121 N -3.04 1.03 0.23 -1.77 1.51 -0.85 -5.16 117.35 109.30 1jiu s TYR 121 Ca 0.11 -0.73 0.10 0.00 -1.01 0.00 0.00 57.07 55.54 1jiu s TYR 121 Cb 0.15 -0.57 -0.04 0.00 -0.11 0.00 0.00 41.96 41.39 1jiu s TYR 121 CO 0.46 -0.03 -0.11 0.95 -1.11 0.00 0.00 175.55 175.71 1jiu s THR 122 N -2.85 3.01 0.11 -0.71 -4.23 -1.26 -4.98 115.64 104.73 1jiu s THR 122 Ca 0.08 -1.94 -0.20 0.00 -1.18 0.00 0.00 61.69 58.45 1jiu s THR 122 Cb -0.00 -2.54 -0.09 0.00 1.34 0.00 0.00 72.50 71.21 1jiu s THR 122 CO -0.01 -0.25 1.76 -0.08 -0.54 0.00 0.00 174.62 175.50 1jiu h GLU 123 N 2.52 0.20 -0.22 3.99 4.81 -1.99 -2.24 114.58 121.65 1jiu h GLU 123 Ca -0.45 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 58.84 1jiu h GLU 123 Cb 1.23 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.56 1jiu h GLU 123 CO 0.56 0.14 0.19 1.49 -0.73 0.00 0.00 179.01 180.66 1jiu h GLU 124 N 0.20 0.00 0.02 1.92 4.81 -1.96 0.19 114.58 119.76 1jiu h GLU 124 Ca 0.06 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.08 1jiu h GLU 124 Cb -0.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1jiu h GLU 124 CO -0.01 0.00 -0.96 1.49 -0.73 0.00 0.00 179.01 178.80 1jiu h GLU 125 N 0.00 0.13 0.00 1.92 4.81 -1.82 -3.36 114.58 116.26 1jiu h GLU 125 Ca 0.10 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1jiu h GLU 125 Cb 0.47 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1jiu h GLU 125 CO -0.00 0.99 -0.70 1.28 -0.73 0.00 0.00 179.01 179.85 1jiu n LEU 126 N -3.55 0.39 -4.57 1.64 4.77 -0.84 -4.33 117.00 110.52 1jiu n LEU 126 Ca -0.03 -0.40 -0.41 0.00 -0.03 0.00 0.00 56.01 55.14 1jiu n LEU 126 Cb 0.87 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.94 1jiu n LEU 126 CO 0.48 0.10 1.32 -0.22 -1.33 0.00 0.00 177.39 177.74 1jiu s LEU 127 N -2.75 3.34 -0.26 2.23 2.96 0.59 -4.69 118.68 120.11 1jiu s LEU 127 Ca 0.02 0.21 -0.29 0.00 -0.22 0.00 0.00 54.13 53.85 1jiu s LEU 127 Cb 0.08 -2.88 -0.00 0.00 0.50 0.00 0.00 46.19 43.89 1jiu s LEU 127 CO 0.43 -1.87 1.25 -0.63 -1.32 0.00 0.00 176.35 174.22 1jiu s ILE 128 N 6.65 4.25 -0.14 6.68 1.01 -1.26 -4.79 121.20 133.59 1jiu s ILE 128 Ca 0.53 1.45 0.14 0.00 0.00 0.00 0.00 60.65 62.77 1jiu s ILE 128 Cb -0.11 -4.14 -0.20 0.00 0.01 0.00 0.00 42.46 38.02 1jiu s ILE 128 CO 0.23 -0.36 0.08 0.29 0.00 0.00 0.00 174.94 175.17 1jiu n LYS 129 N 7.02 1.37 -1.21 2.79 5.02 -1.26 -5.01 118.16 126.88 1jiu n LYS 129 Ca 0.14 -0.02 -0.37 0.00 -2.02 0.00 0.00 58.31 56.05 1jiu n LYS 129 Cb 0.46 -1.40 0.06 0.00 -0.02 0.00 0.00 35.03 34.13 1jiu n LYS 129 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1jiu n SER 130 N -2.54 -2.23 -4.77 4.39 7.64 -1.26 -4.89 113.62 109.95 1jiu n SER 130 Ca -0.24 0.55 -0.37 0.00 1.01 0.00 0.00 58.87 59.82 1jiu n SER 130 Cb 0.96 -1.10 -0.01 0.00 -1.01 0.00 0.00 64.21 63.06 1jiu n SER 130 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1jiu s PRO 131 N -2.38 3.75 -0.12 1.43 0.04 -1.26 -4.85 135.00 131.62 1jiu s PRO 131 Ca 0.61 1.81 0.00 0.00 0.04 0.00 0.00 61.00 63.46 1jiu s PRO 131 Cb -0.35 -2.43 -0.01 0.00 0.04 0.00 0.00 34.50 31.75 1jiu s PRO 131 CO 0.63 -0.57 -0.14 0.42 0.04 0.00 0.00 177.00 177.38 1jiu s ILE 132 N -1.52 2.97 -0.30 0.56 -1.09 -0.32 -1.75 121.20 119.76 1jiu s ILE 132 Ca 0.63 -0.69 -0.06 0.00 -2.23 0.00 0.00 60.65 58.30 1jiu s ILE 132 Cb -0.30 -2.24 0.01 0.00 -1.58 0.00 0.00 42.46 38.36 1jiu s ILE 132 CO 0.36 0.53 0.07 -0.75 -1.23 0.00 0.00 174.94 173.92 1jiu s LYS 133 N 0.31 3.03 -0.35 2.79 2.47 -0.08 -1.85 119.74 126.06 1jiu s LYS 133 Ca -0.11 -0.90 -0.18 0.00 -1.56 0.00 0.00 55.97 53.22 1jiu s LYS 133 Cb -0.16 -3.36 -0.00 0.00 -1.46 0.00 0.00 37.83 32.85 1jiu s LYS 133 CO 0.06 -0.46 0.51 0.08 0.16 0.00 0.00 175.35 175.70 1jiu s VAL 134 N 1.48 5.02 -0.49 4.02 1.01 -0.29 -0.33 120.40 130.82 1jiu s VAL 134 Ca 0.02 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.14 1jiu s VAL 134 Cb -0.17 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.30 1jiu s VAL 134 CO 0.02 -0.23 0.51 -0.63 0.00 0.00 0.00 175.10 174.77 1jiu s ILE 135 N 2.39 5.06 -0.14 2.22 1.01 0.15 -1.51 121.20 130.39 1jiu s ILE 135 Ca 0.18 -0.80 -0.07 0.00 0.00 0.00 0.00 60.65 59.96 1jiu s ILE 135 Cb -0.15 -4.21 -0.04 0.00 0.01 0.00 0.00 42.46 38.06 1jiu s ILE 135 CO 0.13 -0.69 0.12 -0.55 0.00 0.00 0.00 174.94 173.95 1jiu s SER 136 N 2.66 6.16 -0.03 3.58 0.15 -0.17 -0.66 113.70 125.39 1jiu s SER 136 Ca 0.09 0.34 0.07 0.00 0.70 0.00 0.00 55.95 57.16 1jiu s SER 136 Cb -0.22 -2.00 0.25 0.00 -1.71 0.00 0.00 66.02 62.34 1jiu s SER 136 CO 0.09 0.33 1.11 0.00 1.20 0.00 0.00 173.24 175.98 1jiu n GLN 137 N 2.50 1.87 -3.46 5.44 10.64 -1.06 -1.38 117.38 131.92 1jiu n GLN 137 Ca -0.19 -1.01 -0.39 0.00 -1.83 0.00 0.00 57.00 53.59 1jiu n GLN 137 Cb 0.54 -1.39 -0.10 0.00 -0.86 0.00 0.00 30.24 28.43 1jiu n GLN 137 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 1jiu s GLY 138 N -0.76 1.91 0.26 2.61 0.00 -1.26 -4.30 107.32 105.77 1jiu s GLY 138 Ca 0.18 -0.89 -0.05 0.00 0.00 0.00 0.00 44.72 43.97 1jiu s GLY 138 CO 0.10 0.84 1.62 -2.22 0.00 0.00 0.00 173.10 173.45 1jiu h ILE 139 N 5.35 0.28 -2.99 0.90 1.08 -1.52 -3.23 117.51 117.37 1jiu h ILE 139 Ca -0.33 -0.03 -0.72 0.00 -0.39 0.00 0.00 64.86 63.38 1jiu h ILE 139 Cb 1.17 0.17 -0.21 0.00 -3.07 0.00 0.00 36.82 34.89 1jiu h ILE 139 CO 0.62 0.02 0.38 0.20 -0.69 0.00 0.00 178.15 178.67 1jiu s ASN 140 N -5.16 6.51 0.10 1.72 0.01 -1.26 -4.90 114.94 111.96 1jiu s ASN 140 Ca -0.13 -2.01 0.04 0.00 -0.71 0.00 0.00 52.86 50.04 1jiu s ASN 140 Cb 0.24 -2.31 0.20 0.00 0.41 0.00 0.00 41.25 39.79 1jiu s ASN 140 CO 0.76 -0.95 0.91 0.18 -1.51 0.00 0.00 177.10 176.50 1jiu n LEU 141 N 5.75 0.10 0.00 0.60 4.77 -1.22 -2.78 117.00 124.22 1jiu n LEU 141 Ca 0.09 0.34 0.05 0.00 -0.03 0.00 0.00 56.01 56.47 1jiu n LEU 141 Cb 0.46 -0.32 0.24 0.00 -2.33 0.00 0.00 43.42 41.47 1jiu n LEU 141 CO 0.48 -0.38 0.66 0.47 -1.33 0.00 0.00 177.39 177.29 1jiu n ASP 142 N -1.50 0.00 0.07 -1.43 10.43 -1.26 -1.26 116.55 121.60 1jiu n ASP 142 Ca -0.00 0.42 -0.21 0.00 2.57 0.00 0.00 54.79 57.58 1jiu n ASP 142 Cb 0.28 -0.46 -0.15 0.00 1.84 0.00 0.00 41.12 42.64 1jiu n ASP 142 CO 0.00 0.00 0.00 0.40 -1.07 0.00 0.00 177.20 176.53 1jiu h ILE 143 N 0.00 1.00 -0.10 0.53 1.08 -1.92 -3.07 117.51 115.03 1jiu h ILE 143 Ca 0.00 -2.61 -0.02 0.00 -0.39 0.00 0.00 64.86 61.84 1jiu h ILE 143 Cb 0.17 2.75 -0.00 0.00 -3.07 0.00 0.00 36.82 36.66 1jiu h ILE 143 CO 0.00 0.84 -0.02 0.00 -0.69 0.00 0.00 178.15 178.28 1jiu h ALA 144 N 0.26 0.14 0.00 1.87 0.00 -1.54 -2.11 119.26 117.88 1jiu h ALA 144 Ca -0.31 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1jiu h ALA 144 Cb 2.07 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.82 1jiu h ALA 144 CO 0.17 -0.14 0.00 0.36 0.00 0.00 0.00 179.25 179.64 1jiu n LYS 145 N -4.78 0.15 0.04 0.00 2.85 -0.39 -1.95 118.16 114.08 1jiu n LYS 145 Ca -0.06 0.40 -0.22 0.00 -1.05 0.00 0.00 58.31 57.38 1jiu n LYS 145 Cb 0.23 -1.80 -0.14 0.00 -0.65 0.00 0.00 35.03 32.67 1jiu n LYS 145 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1jiu h ALA 146 N 2.30 0.08 0.00 0.58 0.00 -1.40 -3.22 119.26 117.60 1jiu h ALA 146 Ca 0.00 -0.99 -0.03 0.00 0.00 0.00 0.00 54.91 53.89 1jiu h ALA 146 Cb 0.32 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.47 1jiu h ALA 146 CO 0.00 0.74 -0.15 0.00 0.00 0.00 0.00 179.25 179.84 1jiu h ALA 147 N 0.02 1.09 -0.69 0.00 0.00 -1.06 -2.94 119.26 115.68 1jiu h ALA 147 Ca -0.27 -0.14 -0.23 0.00 0.00 0.00 0.00 54.91 54.27 1jiu h ALA 147 Cb 1.81 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 19.44 1jiu h ALA 147 CO 0.11 0.19 0.26 0.72 0.00 0.00 0.00 179.25 180.53 1jiu n HIS 148 N -3.40 2.24 -0.06 0.00 8.25 -0.83 -4.56 115.22 116.87 1jiu n HIS 148 Ca -0.00 -1.31 -0.13 0.00 -0.26 0.00 0.00 57.72 56.01 1jiu n HIS 148 Cb 0.34 -0.67 -0.01 0.00 1.12 0.00 0.00 29.99 30.77 1jiu n HIS 148 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1jiu h LYS 149 N 2.15 0.80 0.00 -0.41 1.79 -1.53 -3.18 116.57 116.20 1jiu h LYS 149 Ca 0.29 -0.50 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1jiu h LYS 149 Cb 2.25 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.96 1jiu h LYS 149 CO 0.70 1.13 0.00 1.57 -1.08 0.00 0.00 179.45 181.77 1jiu h LYS 150 N 0.62 0.00 -5.35 3.15 2.10 -1.85 -3.43 116.57 111.82 1jiu h LYS 150 Ca 0.02 0.00 -0.60 0.00 -2.00 0.00 0.00 60.65 58.07 1jiu h LYS 150 Cb 1.12 0.00 -0.12 0.00 -0.90 0.00 0.00 32.23 32.33 1jiu h LYS 150 CO 0.11 0.00 -0.39 0.54 -2.00 0.00 0.00 179.45 177.72 1jiu s VAL 151 N -3.56 5.33 -0.01 0.07 0.11 -1.20 -5.04 120.40 116.10 1jiu s VAL 151 Ca 0.02 0.40 -0.01 0.00 -2.93 0.00 0.00 61.98 59.46 1jiu s VAL 151 Cb 0.09 -3.58 -0.01 0.00 -1.53 0.00 0.00 36.38 31.36 1jiu s VAL 151 CO 0.49 0.38 0.24 0.44 -3.33 0.00 0.00 175.10 173.32 1jiu h ASP 152 N 6.93 -0.04 0.00 3.54 3.32 -1.86 -3.36 116.42 124.94 1jiu h ASP 152 Ca -0.40 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.65 1jiu h ASP 152 Cb 1.16 0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1jiu h ASP 152 CO 0.73 0.03 0.57 -0.46 -1.72 0.00 0.00 179.24 178.40 1jiu n ASN 153 N -2.48 0.00 -4.57 6.45 2.04 -1.26 -4.42 115.26 111.03 1jiu n ASN 153 Ca -0.01 0.08 -0.41 0.00 -0.44 0.00 0.00 54.58 53.81 1jiu n ASN 153 Cb 0.02 -0.01 -0.03 0.00 -2.53 0.00 0.00 39.78 37.24 1jiu n ASN 153 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1jiu s VAL 154 N -2.32 3.62 -1.34 3.53 1.01 -1.26 -1.17 120.40 122.47 1jiu s VAL 154 Ca -0.00 0.51 0.18 0.00 0.00 0.00 0.00 61.98 62.68 1jiu s VAL 154 Cb 0.00 -4.18 -0.09 0.00 0.00 0.00 0.00 36.38 32.12 1jiu s VAL 154 CO 0.00 -0.98 0.87 2.30 0.00 0.00 0.00 175.10 177.29 1jiu n ILE 155 N 7.04 0.00 -3.90 2.22 -5.35 -0.77 -4.90 119.36 113.70 1jiu n ILE 155 Ca 0.16 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.33 1jiu n ILE 155 Cb 0.50 1.13 -0.10 0.00 -1.74 0.00 0.00 39.64 39.42 1jiu n ILE 155 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 1jiu s GLU 156 N -2.37 0.44 -0.04 6.28 2.02 -1.15 -5.04 118.70 118.83 1jiu s GLU 156 Ca 0.12 -0.45 -0.01 0.00 0.02 0.00 0.00 54.97 54.65 1jiu s GLU 156 Cb 0.14 0.18 0.03 0.00 0.10 0.00 0.00 34.13 34.58 1jiu s GLU 156 CO 0.58 -0.10 0.03 -0.06 0.02 0.00 0.00 175.26 175.74 1jiu s PHE 157 N -1.40 0.23 -0.03 1.61 0.08 -1.26 -1.13 117.98 116.08 1jiu s PHE 157 Ca -0.15 0.11 -0.02 0.00 0.12 0.00 0.00 56.93 56.99 1jiu s PHE 157 Cb -0.08 -0.51 0.02 0.00 -0.57 0.00 0.00 43.02 41.88 1jiu s PHE 157 CO 0.01 -0.20 0.07 -2.00 -0.10 0.00 0.00 175.22 173.00 1jiu s GLU 158 N 1.80 0.05 0.36 0.44 2.12 -0.57 -4.99 118.70 117.91 1jiu s GLU 158 Ca 0.01 0.15 -0.20 0.00 0.36 0.00 0.00 54.97 55.29 1jiu s GLU 158 Cb -0.12 -0.06 -0.10 0.00 0.26 0.00 0.00 34.13 34.10 1jiu s GLU 158 CO -0.03 -0.07 0.86 -0.47 -0.54 0.00 0.00 175.26 175.01 1jiu s TYR 159 N 0.45 3.43 -0.30 5.30 5.04 -1.26 -1.00 117.35 129.01 1jiu s TYR 159 Ca -0.03 1.50 -0.17 0.00 -2.44 0.00 0.00 57.07 55.92 1jiu s TYR 159 Cb -0.05 -2.74 0.18 0.00 0.35 0.00 0.00 41.96 39.70 1jiu s TYR 159 CO -0.02 0.06 1.12 0.12 -1.34 0.00 0.00 175.55 175.49 1jiu s PHE 160 N -1.95 -0.42 -0.85 4.97 5.36 -0.48 -4.88 117.98 119.73 1jiu s PHE 160 Ca 0.55 0.72 -0.24 0.00 -0.96 0.00 0.00 56.93 57.00 1jiu s PHE 160 Cb -0.12 0.25 -0.18 0.00 -0.34 0.00 0.00 43.02 42.63 1jiu s PHE 160 CO 0.17 -0.21 1.90 -0.35 -1.46 0.00 0.00 175.22 175.28 1jiu n PRO 161 N 4.76 1.09 0.02 10.12 -0.04 -1.26 -3.80 135.00 145.88 1jiu n PRO 161 Ca -0.08 -1.92 -0.10 0.00 -0.04 0.00 0.00 63.50 61.36 1jiu n PRO 161 Cb 0.54 -3.31 -0.04 0.00 -0.04 0.00 0.00 33.50 30.66 1jiu n PRO 161 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 1jiu h ILE 162 N 5.51 0.42 0.00 0.52 2.04 -1.90 -2.78 117.51 121.32 1jiu h ILE 162 Ca 0.26 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.12 1jiu h ILE 162 Cb 0.82 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.32 1jiu h ILE 162 CO 1.56 0.00 0.00 -0.62 0.00 0.00 0.00 178.15 179.09 1jiu n GLU 163 N -5.37 0.37 0.00 2.37 1.02 -1.26 -2.45 120.64 115.32 1jiu n GLU 163 Ca -0.03 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.26 1jiu n GLU 163 Cb 0.28 -1.03 0.78 0.00 -0.02 0.00 0.00 31.44 31.45 1jiu n GLU 163 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1jiu n GLN 164 N -0.35 0.53 0.18 3.49 6.02 -1.05 -3.79 117.38 122.41 1jiu n GLN 164 Ca 0.00 -0.01 0.12 0.00 -0.01 0.00 0.00 57.00 57.10 1jiu n GLN 164 Cb 0.02 -1.50 0.65 0.00 1.02 0.00 0.00 30.24 30.43 1jiu n GLN 164 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 177.06 176.15 1jiu h TYR 165 N 0.03 0.00 -0.41 1.08 -0.00 -1.73 -2.09 116.97 113.85 1jiu h TYR 165 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 58.63 1jiu h TYR 165 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.97 1jiu h TYR 165 CO 0.00 0.00 -0.14 -0.22 -0.00 0.00 0.00 178.16 177.80 1jiu h LYS 166 N 0.00 0.81 0.00 0.10 1.63 -1.88 -3.12 116.57 114.11 1jiu h LYS 166 Ca 0.00 -0.33 0.00 0.00 -0.85 0.00 0.00 60.65 59.47 1jiu h LYS 166 Cb 0.02 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1jiu h LYS 166 CO 0.00 0.95 -0.40 -0.84 -3.45 0.00 0.00 179.45 175.72 1jiu h ILE 167 N 0.63 0.00 -0.25 2.00 3.07 -1.68 -3.30 117.51 117.97 1jiu h ILE 167 Ca 0.10 -0.51 0.00 0.00 1.55 0.00 0.00 64.86 65.99 1jiu h ILE 167 Cb 0.68 1.25 0.00 0.00 -0.27 0.00 0.00 36.82 38.48 1jiu h ILE 167 CO 0.05 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.56 1jiu n HIS 168 N -2.21 0.31 -2.17 0.16 8.25 -1.17 -4.91 115.22 113.48 1jiu n HIS 168 Ca 0.04 -0.16 -0.37 0.00 -0.26 0.00 0.00 57.72 56.98 1jiu n HIS 168 Cb 0.44 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.55 1jiu n HIS 168 CO 0.00 0.00 0.00 -1.64 0.64 0.00 0.00 176.34 175.34 1jiu s MET 169 N -1.69 3.53 0.47 -0.41 -1.94 -1.18 -4.92 119.30 113.16 1jiu s MET 169 Ca 0.35 1.81 0.26 0.00 -1.71 0.00 0.00 55.69 56.41 1jiu s MET 169 Cb 0.21 -2.27 1.07 0.00 2.01 0.00 0.00 34.83 35.85 1jiu s MET 169 CO 0.30 -0.75 1.89 -0.91 -0.01 0.00 0.00 175.02 175.54 1jiu h ASN 170 N 1.71 0.00 0.06 3.03 -0.26 -1.93 -2.86 115.58 115.33 1jiu h ASN 170 Ca -0.50 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.24 1jiu h ASN 170 Cb 1.26 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.52 1jiu h ASN 170 CO 0.59 0.17 -0.32 -0.90 -1.06 0.00 0.00 177.43 175.91 1jiu n ASP 171 N -3.36 1.77 -4.73 5.81 5.75 -1.26 -4.97 116.55 115.55 1jiu n ASP 171 Ca -0.00 -1.36 -0.37 0.00 -0.01 0.00 0.00 54.79 53.04 1jiu n ASP 171 Cb 0.38 0.28 0.06 0.00 -1.03 0.00 0.00 41.12 40.82 1jiu n ASP 171 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 1jiu n PHE 172 N -0.07 1.99 -3.54 2.11 -0.00 -1.08 -5.03 117.46 111.84 1jiu n PHE 172 Ca 0.11 0.42 -0.16 0.00 -0.00 0.00 0.00 57.45 57.83 1jiu n PHE 172 Cb 0.43 -2.29 -0.06 0.00 -0.00 0.00 0.00 39.48 37.57 1jiu n PHE 172 CO 0.00 0.00 0.00 1.14 -0.00 0.00 0.00 176.76 177.90 1jiu s GLN 173 N -3.26 0.91 0.44 -4.13 -2.07 -1.26 -5.02 119.66 105.28 1jiu s GLN 173 Ca 0.80 0.22 -0.24 0.00 -1.82 0.00 0.00 55.36 54.33 1jiu s GLN 173 Cb -0.39 0.43 -0.08 0.00 -1.09 0.00 0.00 33.01 31.88 1jiu s GLN 173 CO 0.42 -0.28 1.18 -0.51 -1.32 0.00 0.00 175.29 174.78 1jiu s LEU 174 N -1.16 4.07 0.56 2.60 1.43 -1.26 -5.00 118.68 119.91 1jiu s LEU 174 Ca -0.08 2.35 -0.19 0.00 -1.03 0.00 0.00 54.13 55.17 1jiu s LEU 174 Cb -0.00 -4.16 -0.05 0.00 0.03 0.00 0.00 46.19 42.00 1jiu s LEU 174 CO 0.07 -0.86 1.17 -0.44 0.23 0.00 0.00 176.35 176.52 1jiu s SER 175 N -1.25 5.52 0.31 2.29 0.01 -0.46 -5.04 113.70 115.08 1jiu s SER 175 Ca 0.62 2.28 0.05 0.00 1.31 0.00 0.00 55.95 60.21 1jiu s SER 175 Cb -0.30 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.32 1jiu s SER 175 CO 0.37 -1.36 0.45 -0.54 0.41 0.00 0.00 173.24 172.57 1jiu s LYS 176 N -3.26 3.23 0.24 12.44 3.01 -1.26 -4.65 119.74 129.48 1jiu s LYS 176 Ca 0.74 -0.87 -0.31 0.00 -1.01 0.00 0.00 55.97 54.52 1jiu s LYS 176 Cb -0.27 -2.82 -0.14 0.00 -1.01 0.00 0.00 37.83 33.59 1jiu s LYS 176 CO 0.30 0.16 1.31 -2.30 0.51 0.00 0.00 175.35 175.33 1jiu n PRO 177 N -1.60 1.80 -4.04 -1.68 -0.02 -1.26 -4.68 135.00 123.51 1jiu n PRO 177 Ca -0.03 0.64 -0.13 0.00 -2.02 0.00 0.00 63.50 61.96 1jiu n PRO 177 Cb 0.58 -2.23 -0.13 0.00 -0.02 0.00 0.00 33.50 31.70 1jiu n PRO 177 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1jiu s THR 178 N -0.25 0.31 -0.26 3.45 -1.32 -1.26 -5.10 115.64 111.21 1jiu s THR 178 Ca 0.68 -0.53 -0.32 0.00 -1.21 0.00 0.00 61.69 60.31 1jiu s THR 178 Cb -0.69 -0.33 -0.08 0.00 -1.51 0.00 0.00 72.50 69.88 1jiu s THR 178 CO 0.52 -0.15 2.17 1.17 -2.21 0.00 0.00 174.62 176.12 1jiu n LYS 179 N 2.33 1.60 -2.24 7.08 4.81 -1.26 -4.91 118.16 125.58 1jiu n LYS 179 Ca -0.17 0.46 -0.41 0.00 -0.87 0.00 0.00 58.31 57.31 1jiu n LYS 179 Cb 0.57 -2.84 -0.03 0.00 0.02 0.00 0.00 35.03 32.75 1jiu n LYS 179 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1jiu s LYS 180 N 6.06 4.41 0.00 1.64 -0.14 -1.26 -4.88 119.74 125.58 1jiu s LYS 180 Ca 1.04 2.04 0.00 0.00 -1.36 0.00 0.00 55.97 57.69 1jiu s LYS 180 Cb -0.60 -3.18 0.00 0.00 -1.68 0.00 0.00 37.83 32.37 1jiu s LYS 180 CO 0.43 -0.20 0.52 0.25 -0.76 0.00 0.00 175.35 175.59 1jiu n THR 181 N 2.29 0.10 -3.79 2.17 -2.24 -0.75 -5.05 114.28 107.01 1jiu n THR 181 Ca 0.05 -0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1jiu n THR 181 Cb 0.43 1.02 -0.08 0.00 -2.10 0.00 0.00 70.33 69.59 1jiu n THR 181 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1jiu s LEU 182 N -0.10 1.04 -0.19 3.22 1.43 -1.15 -5.01 118.68 117.93 1jiu s LEU 182 Ca 0.00 -0.14 -0.22 0.00 -1.03 0.00 0.00 54.13 52.74 1jiu s LEU 182 Cb 0.00 1.18 -0.19 0.00 0.03 0.00 0.00 46.19 47.21 1jiu s LEU 182 CO 0.00 -0.53 0.29 0.44 0.23 0.00 0.00 176.35 176.78 1jiu h ASP 183 N 3.56 0.00 -4.63 2.29 3.32 -1.36 -0.21 116.42 119.40 1jiu h ASP 183 Ca -0.31 -0.55 -0.29 0.00 0.02 0.00 0.00 57.03 55.90 1jiu h ASP 183 Cb 1.19 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.52 1jiu h ASP 183 CO 0.44 1.31 -0.74 -0.69 -1.72 0.00 0.00 179.24 177.84 1jiu s VAL 184 N -2.30 0.54 0.02 -1.35 1.01 -1.14 -0.89 120.40 116.28 1jiu s VAL 184 Ca -0.25 -0.96 -0.04 0.00 0.00 0.00 0.00 61.98 60.72 1jiu s VAL 184 Cb 0.04 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 1jiu s VAL 184 CO 0.57 -0.30 0.07 -0.51 0.00 0.00 0.00 175.10 174.93 1jiu s ILE 185 N -1.19 0.11 -0.16 2.22 2.07 -0.51 -2.18 121.20 121.56 1jiu s ILE 185 Ca -0.08 -0.88 -0.11 0.00 -1.41 0.00 0.00 60.65 58.17 1jiu s ILE 185 Cb -0.09 -0.51 0.05 0.00 0.13 0.00 0.00 42.46 42.04 1jiu s ILE 185 CO 0.00 -0.49 0.40 -0.47 -1.91 0.00 0.00 174.94 172.47 1jiu s TYR 186 N -1.76 -0.53 -0.09 3.50 6.14 -0.42 -1.61 117.35 122.58 1jiu s TYR 186 Ca -0.12 1.18 0.02 0.00 0.64 0.00 0.00 57.07 58.79 1jiu s TYR 186 Cb -0.06 0.21 0.02 0.00 0.42 0.00 0.00 41.96 42.54 1jiu s TYR 186 CO -0.01 -0.29 -0.13 0.20 0.64 0.00 0.00 175.55 175.96 1jiu s GLY 187 N 0.99 0.90 0.00 8.97 0.00 -1.26 -1.03 107.32 115.89 1jiu s GLY 187 Ca -0.06 -0.56 0.00 0.00 0.00 0.00 0.00 44.72 44.10 1jiu s GLY 187 CO -0.08 0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.89 1jiu n GLY 188 N 4.13 -1.61 1.93 0.20 0.00 -0.74 -4.95 105.19 104.16 1jiu n GLY 188 Ca -0.20 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.62 1jiu n GLY 188 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jiu n SER 189 N 0.92 0.66 0.13 1.61 3.41 -1.26 -2.95 113.62 116.14 1jiu n SER 189 Ca 0.00 -1.56 0.13 0.00 -0.26 0.00 0.00 58.87 57.18 1jiu n SER 189 Cb 0.00 -0.33 0.39 0.00 -0.26 0.00 0.00 64.21 64.02 1jiu n SER 189 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1jiu h PHE 190 N -0.52 0.00 -4.64 7.33 3.57 -1.93 -3.42 116.94 117.34 1jiu h PHE 190 Ca -0.17 0.00 -0.38 0.00 3.53 0.00 0.00 57.97 60.95 1jiu h PHE 190 Cb 0.61 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.35 1jiu h PHE 190 CO 0.00 0.00 -0.56 0.54 -2.23 0.00 0.00 178.31 176.06 1jiu n ARG 191 N -2.40 -3.91 -4.14 1.11 1.74 -1.26 -2.17 116.66 105.63 1jiu n ARG 191 Ca 0.05 0.74 -0.36 0.00 -0.77 0.00 0.00 57.85 57.51 1jiu n ARG 191 Cb 0.41 -5.51 -0.04 0.00 -1.02 0.00 0.00 32.46 26.30 1jiu n ARG 191 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1jiu n SER 192 N -2.34 -1.38 0.00 0.55 3.41 -1.26 -1.37 113.62 111.23 1jiu n SER 192 Ca -0.09 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.29 1jiu n SER 192 Cb 0.60 -1.95 0.00 0.00 -0.26 0.00 0.00 64.21 62.59 1jiu n SER 192 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jiu n GLY 193 N -2.27 0.55 0.00 5.00 0.00 -0.92 -4.85 105.19 102.69 1jiu n GLY 193 Ca -0.24 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.80 1jiu n GLY 193 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1jiu n GLN 194 N -2.00 0.01 -1.62 1.61 1.13 -0.47 -2.77 117.38 113.27 1jiu n GLN 194 Ca 0.00 0.40 0.03 0.00 -1.94 0.00 0.00 57.00 55.49 1jiu n GLN 194 Cb 0.00 -1.50 0.02 0.00 0.11 0.00 0.00 30.24 28.87 1jiu n GLN 194 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1jiu n ARG 195 N -1.46 0.16 -0.17 -1.09 0.63 -1.26 -4.65 116.66 108.81 1jiu n ARG 195 Ca 0.01 -2.13 -0.09 0.00 -0.92 0.00 0.00 57.85 54.72 1jiu n ARG 195 Cb 0.05 -0.14 0.01 0.00 0.45 0.00 0.00 32.46 32.82 1jiu n ARG 195 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1jiu h GLU 196 N 1.14 0.81 -0.43 -0.14 4.81 -1.83 -2.42 114.58 116.53 1jiu h GLU 196 Ca -0.23 -0.21 0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1jiu h GLU 196 Cb 1.83 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 31.07 1jiu h GLU 196 CO 0.10 0.81 0.15 1.03 -0.73 0.00 0.00 179.01 180.37 1jiu h SER 197 N 0.69 0.16 -0.36 1.04 0.87 -1.90 -0.50 113.55 113.55 1jiu h SER 197 Ca 0.15 0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.62 1jiu h SER 197 Cb 0.38 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 1jiu h SER 197 CO 0.01 0.12 -0.32 0.11 -0.53 0.00 0.00 176.83 176.22 1jiu h LYS 198 N 0.32 0.90 -0.27 2.24 1.79 -1.94 -2.06 116.57 117.55 1jiu h LYS 198 Ca 0.20 -0.43 -0.05 0.00 -2.18 0.00 0.00 60.65 58.19 1jiu h LYS 198 Cb 0.19 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.83 1jiu h LYS 198 CO -0.21 1.08 -0.01 0.52 -1.08 0.00 0.00 179.45 179.76 1jiu h MET 199 N 0.75 0.49 -0.37 3.15 2.86 -1.11 -2.07 114.93 118.63 1jiu h MET 199 Ca 0.08 -0.16 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 1jiu h MET 199 Cb 0.89 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 32.49 1jiu h MET 199 CO 0.08 0.65 0.16 0.28 1.06 0.00 0.00 176.91 179.15 1jiu h VAL 200 N 0.27 1.18 0.10 -2.22 2.07 -1.11 -0.57 116.25 115.97 1jiu h VAL 200 Ca 0.08 -0.55 0.02 0.00 0.82 0.00 0.00 66.70 67.07 1jiu h VAL 200 Cb 0.44 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 1jiu h VAL 200 CO 0.02 0.20 -0.38 -0.08 0.02 0.00 0.00 177.57 177.35 1jiu h GLU 201 N 0.46 -0.57 0.00 1.57 4.57 -1.25 -1.84 114.58 117.52 1jiu h GLU 201 Ca 0.13 0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1jiu h GLU 201 Cb 0.16 0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1jiu h GLU 201 CO -0.01 -0.38 -0.66 1.19 -1.18 0.00 0.00 179.01 177.96 1jiu n PHE 202 N -5.45 0.24 0.01 0.92 3.72 -0.79 -4.39 117.46 111.73 1jiu n PHE 202 Ca -0.07 0.07 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1jiu n PHE 202 Cb 0.36 -0.42 -0.00 0.00 -0.94 0.00 0.00 39.48 38.48 1jiu n PHE 202 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1jiu n LEU 203 N -1.79 0.01 -4.72 4.37 4.77 -0.22 -4.96 117.00 114.46 1jiu n LEU 203 Ca 0.04 -0.40 -0.31 0.00 -0.03 0.00 0.00 56.01 55.32 1jiu n LEU 203 Cb 0.39 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1jiu n LEU 203 CO 0.37 0.00 -0.31 -0.36 -1.33 0.00 0.00 177.39 175.76 1jiu s PHE 204 N -1.23 3.07 -1.15 -1.77 0.40 -0.69 -4.10 117.98 112.52 1jiu s PHE 204 Ca 0.00 0.03 -0.06 0.00 -0.60 0.00 0.00 56.93 56.30 1jiu s PHE 204 Cb 0.00 -1.59 0.05 0.00 0.51 0.00 0.00 43.02 41.99 1jiu s PHE 204 CO 0.01 0.49 0.32 -0.25 0.70 0.00 0.00 175.22 176.49 1jiu n ASP 205 N 0.68 -3.64 0.14 1.36 8.00 0.01 -4.82 116.55 118.28 1jiu n ASP 205 Ca -0.11 -0.17 0.12 0.00 0.71 0.00 0.00 54.79 55.35 1jiu n ASP 205 Cb 0.52 -3.04 0.13 0.00 -0.02 0.00 0.00 41.12 38.70 1jiu n ASP 205 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 1jiu h THR 206 N -0.63 0.00 0.00 -3.53 1.35 -1.84 -3.47 112.91 104.78 1jiu h THR 206 Ca -0.37 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 64.64 1jiu h THR 206 Cb 1.25 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1jiu h THR 206 CO 0.45 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 1jiu n GLY 207 N 1.19 1.82 3.99 5.82 0.00 -1.26 -4.95 105.19 111.80 1jiu n GLY 207 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1jiu n GLY 207 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jiu s LEU 208 N 0.00 3.30 -0.83 0.99 1.43 -1.26 -5.03 118.68 117.27 1jiu s LEU 208 Ca 0.00 -0.17 -0.19 0.00 -1.03 0.00 0.00 54.13 52.74 1jiu s LEU 208 Cb 0.00 -2.66 0.13 0.00 0.03 0.00 0.00 46.19 43.70 1jiu s LEU 208 CO 0.00 -1.17 0.99 0.21 0.23 0.00 0.00 176.35 176.61 1jiu s ASN 209 N -4.46 6.53 0.11 2.29 2.47 -1.26 -5.01 114.94 115.60 1jiu s ASN 209 Ca 0.58 -1.93 0.07 0.00 0.42 0.00 0.00 52.86 52.01 1jiu s ASN 209 Cb -0.09 -2.36 -0.04 0.00 -1.45 0.00 0.00 41.25 37.31 1jiu s ASN 209 CO 0.38 -1.04 -0.09 -0.63 -3.72 0.00 0.00 177.10 171.99 1jiu s ILE 210 N 2.48 3.40 -0.01 -5.21 1.01 -1.26 -0.91 121.20 120.70 1jiu s ILE 210 Ca 0.26 -1.28 0.03 0.00 0.00 0.00 0.00 60.65 59.67 1jiu s ILE 210 Cb -0.10 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.77 1jiu s ILE 210 CO -0.05 0.10 -0.10 -0.70 0.00 0.00 0.00 174.94 174.19 1jiu s GLU 211 N -2.26 0.89 -0.54 2.79 2.12 -0.93 -2.51 118.70 118.27 1jiu s GLU 211 Ca 0.22 -0.37 0.04 0.00 0.36 0.00 0.00 54.97 55.22 1jiu s GLU 211 Cb -0.11 -0.85 0.13 0.00 0.26 0.00 0.00 34.13 33.57 1jiu s GLU 211 CO 0.14 0.21 0.28 0.12 -0.54 0.00 0.00 175.26 175.47 1jiu s PHE 212 N -0.16 3.22 0.72 5.30 2.19 -0.60 -1.30 117.98 127.34 1jiu s PHE 212 Ca 0.03 -3.17 -0.07 0.00 0.33 0.00 0.00 56.93 54.05 1jiu s PHE 212 Cb -0.05 -2.83 0.07 0.00 -1.31 0.00 0.00 43.02 38.90 1jiu s PHE 212 CO -0.00 -0.73 1.03 -0.59 1.83 0.00 0.00 175.22 176.76 1jiu s PHE 213 N -0.37 2.83 0.00 10.12 -0.71 -0.20 -3.55 117.98 126.11 1jiu s PHE 213 Ca 0.18 0.43 0.00 0.00 -1.04 0.00 0.00 56.93 56.49 1jiu s PHE 213 Cb -0.24 -3.23 0.00 0.00 -1.21 0.00 0.00 43.02 38.33 1jiu s PHE 213 CO -0.01 -1.47 0.00 0.41 -1.34 0.00 0.00 175.22 172.80 1jiu n GLY 214 N -2.96 -0.30 0.21 1.99 0.00 -0.04 -1.80 105.19 102.30 1jiu n GLY 214 Ca 0.08 -2.23 0.10 0.00 0.00 0.00 0.00 46.02 43.97 1jiu n GLY 214 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1jiu h ASN 215 N 0.00 0.00 -4.11 1.61 2.35 -1.82 -2.89 115.58 110.72 1jiu h ASN 215 Ca 0.00 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 55.20 1jiu h ASN 215 Cb 0.00 0.00 0.15 0.00 0.05 0.00 0.00 38.32 38.52 1jiu h ASN 215 CO 0.00 0.21 0.50 0.00 -1.65 0.00 0.00 177.43 176.49 1jiu s ALA 216 N -3.45 2.39 0.06 -0.83 0.00 -1.22 -4.77 121.76 113.95 1jiu s ALA 216 Ca 0.02 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.19 1jiu s ALA 216 Cb 0.09 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.64 1jiu s ALA 216 CO 0.65 -1.54 -0.11 1.03 0.00 0.00 0.00 175.76 175.79 1jiu s ARG 217 N -3.39 0.71 0.15 0.00 0.52 -1.26 -4.79 118.95 110.89 1jiu s ARG 217 Ca 0.82 -0.90 -0.23 0.00 -0.52 0.00 0.00 55.73 54.89 1jiu s ARG 217 Cb -0.36 -0.58 0.03 0.00 0.52 0.00 0.00 34.95 34.56 1jiu s ARG 217 CO 0.39 0.12 1.63 1.49 0.02 0.00 0.00 175.30 178.94 1jiu h GLU 218 N 4.28 -0.25 0.00 3.54 4.81 -1.96 -2.44 114.58 122.56 1jiu h GLU 218 Ca -0.38 0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.86 1jiu h GLU 218 Cb 1.20 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1jiu h GLU 218 CO 0.42 -0.17 0.15 0.36 -0.73 0.00 0.00 179.01 179.04 1jiu n LYS 219 N -5.38 0.00 0.17 1.92 2.85 -1.26 -1.16 118.16 115.30 1jiu n LYS 219 Ca -0.01 0.34 0.09 0.00 -1.05 0.00 0.00 58.31 57.68 1jiu n LYS 219 Cb 0.30 -1.65 0.09 0.00 -0.65 0.00 0.00 35.03 33.12 1jiu n LYS 219 CO 0.00 0.00 0.00 1.96 -0.05 0.00 0.00 177.40 179.31 1jiu h GLN 220 N 0.00 0.00 -5.58 -1.58 4.20 -1.87 -3.41 115.11 106.87 1jiu h GLN 220 Ca 0.00 0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.08 1jiu h GLN 220 Cb 0.31 0.00 -0.14 0.00 0.30 0.00 0.00 27.48 27.95 1jiu h GLN 220 CO 0.00 0.13 0.90 -0.06 -0.67 0.00 0.00 178.83 179.13 1jiu s PHE 221 N -3.16 2.73 0.00 2.96 0.40 -0.31 -4.67 117.98 115.93 1jiu s PHE 221 Ca 0.05 -0.80 0.00 0.00 -0.60 0.00 0.00 56.93 55.57 1jiu s PHE 221 Cb 0.07 -4.42 0.00 0.00 0.51 0.00 0.00 43.02 39.18 1jiu s PHE 221 CO 0.71 -1.72 0.76 0.36 0.70 0.00 0.00 175.22 176.04 1jiu n LYS 222 N 7.82 0.00 -2.14 0.44 2.85 -1.26 -5.05 118.16 120.82 1jiu n LYS 222 Ca 0.13 -0.68 -0.43 0.00 -1.05 0.00 0.00 58.31 56.29 1jiu n LYS 222 Cb 0.48 -0.39 -0.03 0.00 -0.65 0.00 0.00 35.03 34.45 1jiu n LYS 222 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 177.40 178.56 1jiu s ASN 223 N -0.58 6.56 0.54 -5.58 3.84 -1.26 -4.88 114.94 113.57 1jiu s ASN 223 Ca 0.00 1.80 0.31 0.00 0.21 0.00 0.00 52.86 55.19 1jiu s ASN 223 Cb 0.00 -2.53 1.48 0.00 -0.55 0.00 0.00 41.25 39.65 1jiu s ASN 223 CO 0.00 -1.08 1.89 1.55 -2.79 0.00 0.00 177.10 176.67 1jiu h PRO 224 N 9.96 0.00 0.00 0.43 0.13 -2.02 -0.80 132.00 139.70 1jiu h PRO 224 Ca -0.34 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.77 1jiu h PRO 224 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jiu h PRO 224 CO 0.98 0.00 -0.09 0.87 -0.23 0.00 0.00 178.00 179.53 1jiu h LYS 225 N 0.00 0.00 -2.16 0.86 1.57 -2.05 -3.33 116.57 111.47 1jiu h LYS 225 Ca 0.42 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.61 1jiu h LYS 225 Cb 1.69 0.00 -0.41 0.00 0.08 0.00 0.00 32.23 33.58 1jiu h LYS 225 CO -0.00 0.09 -0.71 0.66 -0.57 0.00 0.00 179.45 178.91 1jiu n TYR 226 N -3.54 2.80 -1.02 -1.35 4.01 -0.30 -5.11 117.16 112.66 1jiu n TYR 226 Ca -0.02 -4.02 -0.33 0.00 -0.16 0.00 0.00 57.90 53.38 1jiu n TYR 226 Cb 0.22 -0.51 0.14 0.00 -0.31 0.00 0.00 39.34 38.88 1jiu n TYR 226 CO 0.00 0.00 0.00 -2.14 -0.46 0.00 0.00 176.86 174.26 1jiu s PRO 227 N -2.31 1.48 0.14 -0.72 0.02 -1.25 -4.80 135.00 127.55 1jiu s PRO 227 Ca 0.40 1.72 -0.24 0.00 0.02 0.00 0.00 61.00 62.89 1jiu s PRO 227 Cb 0.17 -1.76 0.07 0.00 0.02 0.00 0.00 34.50 33.00 1jiu s PRO 227 CO -0.04 -2.32 0.73 1.67 -0.33 0.00 0.00 177.00 176.71 1jiu s TRP 228 N -2.26 -0.39 0.11 6.54 1.48 -1.26 -5.01 118.94 118.14 1jiu s TRP 228 Ca 0.72 0.15 0.00 0.00 -1.06 0.00 0.00 56.10 55.91 1jiu s TRP 228 Cb -0.27 0.59 0.00 0.00 -1.16 0.00 0.00 33.47 32.62 1jiu s TRP 228 CO 0.52 -0.83 0.00 2.41 -4.06 0.00 0.00 176.95 174.99 1jiu n THR 229 N -0.37 0.93 -3.49 0.66 -1.04 -1.26 -5.00 114.28 104.71 1jiu n THR 229 Ca -0.12 0.31 -0.41 0.00 -2.04 0.00 0.00 64.05 61.79 1jiu n THR 229 Cb 0.63 -1.44 -0.10 0.00 -1.82 0.00 0.00 70.33 67.59 1jiu n THR 229 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1jiu s LYS 230 N -2.00 3.36 0.44 -2.82 3.01 -1.26 -5.02 119.74 115.44 1jiu s LYS 230 Ca 0.00 -0.72 -0.00 0.00 -1.01 0.00 0.00 55.97 54.24 1jiu s LYS 230 Cb 0.00 -3.86 -0.01 0.00 -1.01 0.00 0.00 37.83 32.95 1jiu s LYS 230 CO 0.00 -0.54 0.66 0.00 0.51 0.00 0.00 175.35 175.98 1jiu s ALA 231 N 1.75 3.72 0.79 5.17 0.00 -1.26 -0.81 121.76 131.12 1jiu s ALA 231 Ca 0.07 -1.00 -0.12 0.00 0.00 0.00 0.00 51.96 50.91 1jiu s ALA 231 Cb -0.18 -2.16 0.06 0.00 0.00 0.00 0.00 23.12 20.84 1jiu s ALA 231 CO 0.11 -0.32 1.13 -1.25 0.00 0.00 0.00 175.76 175.43 1jiu s PRO 232 N -4.53 2.18 -0.07 0.00 0.04 -1.26 -4.90 135.00 126.46 1jiu s PRO 232 Ca 0.47 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 1jiu s PRO 232 Cb -0.10 -1.96 -0.02 0.00 0.04 0.00 0.00 34.50 32.47 1jiu s PRO 232 CO 0.38 -1.49 0.98 0.08 0.04 0.00 0.00 177.00 176.99 1jiu s VAL 233 N -3.41 4.83 -0.21 -0.36 1.01 -1.04 -4.84 120.40 116.38 1jiu s VAL 233 Ca 0.61 2.01 -0.13 0.00 0.00 0.00 0.00 61.98 64.46 1jiu s VAL 233 Cb -0.12 -4.30 -0.05 0.00 0.00 0.00 0.00 36.38 31.92 1jiu s VAL 233 CO 0.51 0.07 0.26 -0.36 0.00 0.00 0.00 175.10 175.59 1jiu s PHE 234 N 1.63 3.38 -0.49 5.22 0.40 -1.26 -1.56 117.98 125.29 1jiu s PHE 234 Ca 0.49 0.45 0.05 0.00 -0.60 0.00 0.00 56.93 57.31 1jiu s PHE 234 Cb -0.19 -2.36 0.12 0.00 0.51 0.00 0.00 43.02 41.10 1jiu s PHE 234 CO 0.21 0.10 1.02 0.25 0.70 0.00 0.00 175.22 177.50 1jiu n THR 235 N 4.07 0.78 0.00 0.64 -2.24 -1.23 -5.00 114.28 111.30 1jiu n THR 235 Ca -0.12 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.77 1jiu n THR 235 Cb 0.52 0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 1jiu n THR 235 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jiu n GLY 236 N 0.05 -1.26 3.87 3.38 0.00 -1.25 -4.86 105.19 105.11 1jiu n GLY 236 Ca 0.05 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1jiu n GLY 236 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jiu s LYS 237 N -1.43 2.99 0.16 1.61 -2.85 -1.09 -0.86 119.74 118.26 1jiu s LYS 237 Ca 0.00 0.58 -0.09 0.00 -1.00 0.00 0.00 55.97 55.47 1jiu s LYS 237 Cb 0.00 -2.03 -0.01 0.00 -2.06 0.00 0.00 37.83 33.74 1jiu s LYS 237 CO 0.00 -0.97 0.27 0.96 0.10 0.00 0.00 175.35 175.71 1jiu s ILE 238 N -3.27 0.07 0.40 3.79 -4.36 -1.26 -4.86 121.20 111.71 1jiu s ILE 238 Ca 0.58 -1.38 -0.26 0.00 -0.26 0.00 0.00 60.65 59.33 1jiu s ILE 238 Cb -0.12 -1.79 -0.09 0.00 1.25 0.00 0.00 42.46 41.71 1jiu s ILE 238 CO 0.53 -0.34 1.35 -2.84 0.24 0.00 0.00 174.94 173.88 1jiu s PRO 239 N -3.96 3.96 0.30 0.37 0.02 -1.26 -4.90 135.00 129.53 1jiu s PRO 239 Ca 0.16 2.27 0.05 0.00 0.02 0.00 0.00 61.00 63.50 1jiu s PRO 239 Cb 0.04 -2.79 0.71 0.00 0.02 0.00 0.00 34.50 32.47 1jiu s PRO 239 CO -0.01 -0.53 1.79 1.98 -0.33 0.00 0.00 177.00 179.89 1jiu h MET 240 N 2.71 0.79 -0.25 5.54 1.85 -1.87 0.55 114.93 124.25 1jiu h MET 240 Ca -0.50 -0.05 0.00 0.00 -0.61 0.00 0.00 59.70 58.54 1jiu h MET 240 Cb 1.25 -0.18 0.00 0.00 0.43 0.00 0.00 31.60 33.10 1jiu h MET 240 CO 0.63 0.52 0.00 0.27 -0.40 0.00 0.00 176.91 177.93 1jiu n ASN 241 N -4.73 0.25 0.00 1.39 0.23 -1.26 -1.84 115.26 109.29 1jiu n ASN 241 Ca 0.22 -1.44 0.00 0.00 -0.53 0.00 0.00 54.58 52.83 1jiu n ASN 241 Cb 0.53 -0.12 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 1jiu n ASN 241 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 1jiu n MET 242 N -0.28 0.49 -0.28 -3.83 2.81 0.18 -4.83 117.12 111.37 1jiu n MET 242 Ca 0.00 -0.76 -0.06 0.00 -1.81 0.00 0.00 57.70 55.08 1jiu n MET 242 Cb 0.06 -0.89 0.06 0.00 -0.71 0.00 0.00 33.22 31.74 1jiu n MET 242 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 1jiu h VAL 243 N 0.38 1.25 -0.10 2.03 2.07 -1.35 -2.83 116.25 117.70 1jiu h VAL 243 Ca 0.00 -0.72 -0.13 0.00 0.82 0.00 0.00 66.70 66.67 1jiu h VAL 243 Cb 0.31 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1jiu h VAL 243 CO 0.00 0.30 -0.53 0.28 0.02 0.00 0.00 177.57 177.64 1jiu h SER 244 N 1.09 0.31 0.52 0.57 0.02 -1.82 -1.31 113.55 112.93 1jiu h SER 244 Ca 0.26 -0.16 -0.09 0.00 -0.84 0.00 0.00 61.79 60.96 1jiu h SER 244 Cb 0.14 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 1jiu h SER 244 CO -0.03 0.78 -0.44 -0.33 -1.14 0.00 0.00 176.83 175.68 1jiu h GLU 245 N 0.22 0.00 0.12 3.45 3.07 -1.90 -1.54 114.58 117.99 1jiu h GLU 245 Ca 0.01 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1jiu h GLU 245 Cb 1.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1jiu h GLU 245 CO 0.08 0.44 -0.06 -0.22 -1.40 0.00 0.00 179.01 177.86 1jiu h LYS 246 N 0.00 -0.15 -0.90 2.33 1.63 -1.24 -3.20 116.57 115.04 1jiu h LYS 246 Ca -0.00 0.01 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 1jiu h LYS 246 Cb 0.82 0.03 -0.06 0.00 -0.60 0.00 0.00 32.23 32.42 1jiu h LYS 246 CO 0.06 0.33 0.58 -0.91 -3.45 0.00 0.00 179.45 176.06 1jiu h ASN 247 N -0.78 0.84 0.01 4.20 2.35 -1.20 -0.31 115.58 120.69 1jiu h ASN 247 Ca -0.02 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1jiu h ASN 247 Cb 0.55 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.77 1jiu h ASN 247 CO 0.03 0.51 0.00 -1.20 -1.65 0.00 0.00 177.43 175.11 1jiu n SER 248 N -4.52 0.00 0.16 5.81 7.64 -0.59 -1.47 113.62 120.65 1jiu n SER 248 Ca 0.15 0.42 0.13 0.00 1.01 0.00 0.00 58.87 60.58 1jiu n SER 248 Cb 0.27 -0.42 0.36 0.00 -1.01 0.00 0.00 64.21 63.41 1jiu n SER 248 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1jiu h GLN 249 N 0.00 0.00 -6.27 1.43 5.75 -1.08 -3.43 115.11 111.51 1jiu h GLN 249 Ca 0.00 0.00 -0.59 0.00 -0.15 0.00 0.00 58.65 57.91 1jiu h GLN 249 Cb 0.00 0.00 -0.12 0.00 1.07 0.00 0.00 27.48 28.44 1jiu h GLN 249 CO 0.00 0.00 -0.69 0.00 -2.65 0.00 0.00 178.83 175.49 1jiu s ALA 250 N -3.20 3.02 0.25 3.38 0.00 -0.54 -1.81 121.76 122.86 1jiu s ALA 250 Ca 0.08 -1.65 -0.04 0.00 0.00 0.00 0.00 51.96 50.35 1jiu s ALA 250 Cb 0.09 -0.66 0.29 0.00 0.00 0.00 0.00 23.12 22.85 1jiu s ALA 250 CO 0.60 0.32 1.80 0.82 0.00 0.00 0.00 175.76 179.30 1jiu h ILE 251 N 2.19 1.24 -3.74 0.00 2.04 -0.92 -3.37 117.51 114.96 1jiu h ILE 251 Ca -0.44 -0.82 -0.15 0.00 1.00 0.00 0.00 64.86 64.45 1jiu h ILE 251 Cb 1.24 0.51 -0.20 0.00 -0.74 0.00 0.00 36.82 37.63 1jiu h ILE 251 CO 0.59 0.32 -0.58 0.00 0.00 0.00 0.00 178.15 178.47 1jiu s ALA 252 N -5.36 -0.11 -0.05 1.87 0.00 -0.07 -1.45 121.76 116.60 1jiu s ALA 252 Ca -0.11 -0.38 0.04 0.00 0.00 0.00 0.00 51.96 51.51 1jiu s ALA 252 Cb 0.16 0.14 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 1jiu s ALA 252 CO 0.82 -0.20 -0.17 0.00 0.00 0.00 0.00 175.76 176.21 1jiu s ALA 253 N -1.59 1.49 0.17 0.00 0.00 -0.11 -1.42 121.76 120.31 1jiu s ALA 253 Ca -0.14 -0.66 -0.27 0.00 0.00 0.00 0.00 51.96 50.89 1jiu s ALA 253 Cb -0.08 -0.51 -0.08 0.00 0.00 0.00 0.00 23.12 22.46 1jiu s ALA 253 CO -0.00 0.26 0.82 -1.17 0.00 0.00 0.00 175.76 175.67 1jiu s LEU 254 N 0.09 4.60 -0.24 0.00 2.96 -0.63 -1.83 118.68 123.63 1jiu s LEU 254 Ca -0.05 1.72 0.02 0.00 -0.22 0.00 0.00 54.13 55.60 1jiu s LEU 254 Cb -0.12 -3.38 0.06 0.00 0.50 0.00 0.00 46.19 43.25 1jiu s LEU 254 CO 0.02 0.17 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.50 1jiu s ILE 255 N -1.04 1.96 0.10 6.68 1.09 -0.84 -4.87 121.20 124.28 1jiu s ILE 255 Ca 0.38 -1.45 -0.01 0.00 -1.10 0.00 0.00 60.65 58.47 1jiu s ILE 255 Cb -0.24 -2.09 -0.04 0.00 -1.06 0.00 0.00 42.46 39.03 1jiu s ILE 255 CO 0.28 0.00 0.02 0.27 -0.10 0.00 0.00 174.94 175.41 1jiu s ILE 256 N 1.21 0.20 0.26 2.92 -4.36 -1.26 -1.92 121.20 118.24 1jiu s ILE 256 Ca -0.07 -1.88 -0.02 0.00 -0.26 0.00 0.00 60.65 58.43 1jiu s ILE 256 Cb -0.19 -1.85 0.01 0.00 1.25 0.00 0.00 42.46 41.68 1jiu s ILE 256 CO -0.06 -0.67 0.36 0.61 0.24 0.00 0.00 174.94 175.42 1jiu n GLY 257 N -0.03 2.36 3.76 6.27 0.00 -1.26 -5.09 105.19 111.21 1jiu n GLY 257 Ca -0.09 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 1jiu n GLY 257 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jiu s ASP 258 N -2.58 4.01 0.21 1.61 1.11 -1.26 -4.90 116.67 114.87 1jiu s ASP 258 Ca 0.21 1.38 -0.09 0.00 0.18 0.00 0.00 52.55 54.23 1jiu s ASP 258 Cb -0.01 -2.09 0.29 0.00 1.07 0.00 0.00 42.92 42.19 1jiu s ASP 258 CO 0.15 -2.29 1.75 0.50 1.18 0.00 0.00 175.17 176.47 1jiu h LYS 259 N -1.31 0.44 -0.02 8.23 1.63 -2.00 -0.91 116.57 122.64 1jiu h LYS 259 Ca -0.48 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1jiu h LYS 259 Cb 1.28 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 1jiu h LYS 259 CO 0.57 0.29 0.00 0.09 -3.45 0.00 0.00 179.45 176.96 1jiu n ASN 260 N -4.96 0.15 0.04 4.20 5.03 -1.26 -2.91 115.26 115.55 1jiu n ASN 260 Ca 0.09 -1.57 -0.18 0.00 0.87 0.00 0.00 54.58 53.79 1jiu n ASN 260 Cb 0.27 -0.01 -0.14 0.00 -1.02 0.00 0.00 39.78 38.88 1jiu n ASN 260 CO 0.00 0.00 0.00 1.88 -1.83 0.00 0.00 177.26 177.31 1jiu h TYR 261 N 0.19 0.47 -1.35 3.10 -1.99 -1.51 -3.44 116.97 112.44 1jiu h TYR 261 Ca 0.00 -0.34 -0.73 0.00 2.00 0.00 0.00 58.73 59.66 1jiu h TYR 261 Cb 0.04 -0.02 0.06 0.00 2.00 0.00 0.00 36.73 38.81 1jiu h TYR 261 CO 0.01 1.49 0.18 0.09 -0.00 0.00 0.00 178.16 179.94 1jiu n ASN 262 N -3.44 0.65 -3.02 3.88 3.02 -1.15 -0.41 115.26 114.80 1jiu n ASN 262 Ca -0.22 1.14 -0.17 0.00 -0.03 0.00 0.00 54.58 55.30 1jiu n ASN 262 Cb 1.05 -1.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.16 1jiu n ASN 262 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1jiu n ASP 263 N 1.95 -3.18 0.13 6.41 8.00 0.10 -4.64 116.55 125.32 1jiu n ASP 263 Ca 0.19 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1jiu n ASP 263 Cb 0.15 -2.69 0.00 0.00 -0.02 0.00 0.00 41.12 38.56 1jiu n ASP 263 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1jiu n ASN 264 N -2.02 -0.97 -4.76 -2.24 5.15 -0.67 -4.80 115.26 104.94 1jiu n ASN 264 Ca -0.04 0.48 -0.36 0.00 -0.60 0.00 0.00 54.58 54.05 1jiu n ASN 264 Cb 0.55 1.07 -0.07 0.00 -0.53 0.00 0.00 39.78 40.80 1jiu n ASN 264 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1jiu s PHE 265 N -2.00 3.50 -0.80 1.20 0.40 0.46 -1.38 117.98 119.36 1jiu s PHE 265 Ca 0.00 0.57 0.00 0.00 -0.60 0.00 0.00 56.93 56.91 1jiu s PHE 265 Cb 0.00 -2.25 0.20 0.00 0.51 0.00 0.00 43.02 41.48 1jiu s PHE 265 CO 0.00 0.36 0.64 0.42 0.70 0.00 0.00 175.22 177.34 1jiu s ILE 266 N 0.09 3.80 1.23 0.64 1.01 -1.26 -4.82 121.20 121.88 1jiu s ILE 266 Ca 0.15 -3.88 -0.17 0.00 0.00 0.00 0.00 60.65 56.75 1jiu s ILE 266 Cb -0.13 -3.41 0.26 0.00 0.01 0.00 0.00 42.46 39.19 1jiu s ILE 266 CO 0.04 -1.03 0.63 0.35 0.00 0.00 0.00 174.94 174.92 1jiu n THR 267 N 2.37 0.00 -0.17 2.92 -2.24 -1.26 -4.84 114.28 111.06 1jiu n THR 267 Ca 0.19 -0.27 -0.07 0.00 -2.27 0.00 0.00 64.05 61.63 1jiu n THR 267 Cb 0.36 -0.83 0.09 0.00 -2.10 0.00 0.00 70.33 67.85 1jiu n THR 267 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1jiu h LEU 268 N -2.81 0.92 -2.59 3.22 5.85 -1.97 -2.69 115.31 115.25 1jiu h LEU 268 Ca -0.51 -0.24 -0.00 0.00 0.84 0.00 0.00 57.88 57.98 1jiu h LEU 268 Cb 1.27 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 42.05 1jiu h LEU 268 CO 0.36 0.97 -0.01 0.08 -0.34 0.00 0.00 178.44 179.50 1jiu h ARG 269 N 0.89 0.00 -0.47 1.25 0.11 -1.94 -1.52 114.38 112.70 1jiu h ARG 269 Ca 0.17 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.12 1jiu h ARG 269 Cb 0.49 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.55 1jiu h ARG 269 CO 0.02 0.01 -0.20 0.28 0.10 0.00 0.00 179.97 180.18 1jiu h VAL 270 N 0.00 1.27 0.14 0.08 2.07 -1.82 -1.07 116.25 116.91 1jiu h VAL 270 Ca -0.00 -1.36 -0.28 0.00 0.82 0.00 0.00 66.70 65.88 1jiu h VAL 270 Cb 0.12 1.12 0.01 0.00 -1.52 0.00 0.00 31.29 31.01 1jiu h VAL 270 CO 0.00 0.47 -1.28 -0.50 0.02 0.00 0.00 177.57 176.28 1jiu h TRP 271 N 0.83 0.53 0.00 1.57 4.06 -1.44 -0.34 115.95 121.17 1jiu h TRP 271 Ca 0.11 -0.39 -0.08 0.00 2.06 0.00 0.00 58.89 60.59 1jiu h TRP 271 Cb 0.77 -0.02 -0.01 0.00 -1.00 0.00 0.00 29.16 28.90 1jiu h TRP 271 CO 0.05 1.31 -0.38 0.93 -3.56 0.00 0.00 178.44 176.79 1jiu h GLU 272 N 0.08 0.00 0.00 0.49 5.08 -1.27 -1.18 114.58 117.78 1jiu h GLU 272 Ca -0.15 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.09 1jiu h GLU 272 Cb 1.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1jiu h GLU 272 CO 0.21 0.38 -0.63 1.15 -1.00 0.00 0.00 179.01 179.12 1jiu h THR 273 N 0.00 1.36 -0.62 1.13 2.02 -1.23 -3.18 112.91 112.38 1jiu h THR 273 Ca -0.00 -2.26 0.10 0.00 0.77 0.00 0.00 66.41 65.01 1jiu h THR 273 Cb 0.68 2.81 -0.04 0.00 -1.74 0.00 0.00 68.15 69.86 1jiu h THR 273 CO 0.05 0.46 0.42 -0.03 0.37 0.00 0.00 175.52 176.79 1jiu h MET 274 N -1.00 0.42 0.00 6.66 1.85 -1.03 -1.20 114.93 120.63 1jiu h MET 274 Ca -0.17 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 58.89 1jiu h MET 274 Cb 1.15 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 33.09 1jiu h MET 274 CO -0.10 0.28 -0.31 0.00 -0.40 0.00 0.00 176.91 176.37 1jiu n ALA 275 N -2.51 2.95 -1.63 0.39 0.00 -0.45 -4.43 120.51 114.83 1jiu n ALA 275 Ca 0.10 -0.23 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1jiu n ALA 275 Cb 0.37 -1.27 0.11 0.00 0.00 0.00 0.00 19.45 18.66 1jiu n ALA 275 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1jiu n SER 276 N -1.65 0.14 -1.01 0.00 3.41 -0.45 -1.35 113.62 112.70 1jiu n SER 276 Ca 0.06 -1.32 0.07 0.00 -0.26 0.00 0.00 58.87 57.42 1jiu n SER 276 Cb 0.36 -0.55 0.23 0.00 -0.26 0.00 0.00 64.21 63.98 1jiu n SER 276 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1jiu n ASP 277 N -3.43 2.94 -4.70 4.04 2.03 -1.26 -4.69 116.55 111.48 1jiu n ASP 277 Ca 0.09 -2.14 -0.35 0.00 0.52 0.00 0.00 54.79 52.91 1jiu n ASP 277 Cb 0.33 -0.39 -0.09 0.00 -0.72 0.00 0.00 41.12 40.25 1jiu n ASP 277 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jiu s ALA 278 N -1.54 3.49 0.21 -1.67 0.00 -1.26 -4.87 121.76 116.13 1jiu s ALA 278 Ca 0.33 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.25 1jiu s ALA 278 Cb 0.19 -1.84 -0.10 0.00 0.00 0.00 0.00 23.12 21.38 1jiu s ALA 278 CO 0.19 0.37 1.46 0.08 0.00 0.00 0.00 175.76 177.86 1jiu s VAL 279 N -0.22 2.74 -0.32 0.00 1.01 -0.53 -4.65 120.40 118.43 1jiu s VAL 279 Ca 0.08 0.59 -0.27 0.00 0.00 0.00 0.00 61.98 62.38 1jiu s VAL 279 Cb -0.12 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1jiu s VAL 279 CO 0.01 0.08 0.97 -0.32 0.00 0.00 0.00 175.10 175.84 1jiu s MET 280 N 0.12 4.02 -0.34 2.72 1.75 -1.26 -0.93 119.30 125.38 1jiu s MET 280 Ca 0.62 0.89 -0.02 0.00 -1.25 0.00 0.00 55.69 55.93 1jiu s MET 280 Cb -0.42 -3.74 0.07 0.00 2.84 0.00 0.00 34.83 33.59 1jiu s MET 280 CO 0.39 -0.83 0.07 -0.51 -0.65 0.00 0.00 175.02 173.49 1jiu s LEU 281 N 3.41 4.40 0.25 4.11 1.43 -0.76 -4.65 118.68 126.87 1jiu s LEU 281 Ca 0.41 -1.58 -0.15 0.00 -1.03 0.00 0.00 54.13 51.78 1jiu s LEU 281 Cb -0.13 -1.75 -0.08 0.00 0.03 0.00 0.00 46.19 44.26 1jiu s LEU 281 CO 0.14 -0.36 0.67 -0.63 0.23 0.00 0.00 176.35 176.40 1jiu s ILE 282 N 1.19 4.72 -0.08 -0.59 -1.09 0.20 -1.99 121.20 123.57 1jiu s ILE 282 Ca 0.00 0.95 -0.28 0.00 -2.23 0.00 0.00 60.65 59.09 1jiu s ILE 282 Cb -0.21 -3.70 -0.02 0.00 -1.58 0.00 0.00 42.46 36.95 1jiu s ILE 282 CO -0.02 0.02 0.90 -0.62 -1.23 0.00 0.00 174.94 173.99 1jiu s ASP 283 N -2.01 7.17 0.20 3.58 2.15 -0.81 -0.31 116.67 126.64 1jiu s ASP 283 Ca 0.47 1.43 -0.18 0.00 0.43 0.00 0.00 52.55 54.70 1jiu s ASP 283 Cb -0.13 -2.51 0.18 0.00 -0.30 0.00 0.00 42.92 40.16 1jiu s ASP 283 CO 0.19 -0.32 1.59 -0.33 -0.17 0.00 0.00 175.17 176.13 1jiu h GLU 284 N 7.00 -0.10 -0.01 4.34 4.39 -1.59 -0.23 114.58 128.38 1jiu h GLU 284 Ca -0.35 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1jiu h GLU 284 Cb 1.17 0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 1jiu h GLU 284 CO 0.80 -0.07 0.09 1.49 -1.16 0.00 0.00 179.01 180.16 1jiu h GLU 285 N -0.10 0.00 -0.02 2.33 4.81 -1.91 -1.22 114.58 118.47 1jiu h GLU 285 Ca 0.27 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 59.31 1jiu h GLU 285 Cb 0.55 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1jiu h GLU 285 CO -0.72 0.00 -0.84 0.35 -0.73 0.00 0.00 179.01 177.07 1jiu h PHE 286 N 0.00 0.39 -1.02 0.92 3.57 -1.41 -3.39 116.94 116.00 1jiu h PHE 286 Ca 0.01 -0.20 -0.38 0.00 3.53 0.00 0.00 57.97 60.93 1jiu h PHE 286 Cb 0.18 -0.05 -0.27 0.00 2.79 0.00 0.00 35.95 38.60 1jiu h PHE 286 CO 0.00 0.99 -0.82 -3.47 -2.23 0.00 0.00 178.31 172.79 1jiu n ASP 287 N -3.72 -1.03 -0.19 0.41 2.03 -0.73 -0.72 116.55 112.59 1jiu n ASP 287 Ca -0.04 -3.17 0.19 0.00 0.52 0.00 0.00 54.79 52.29 1jiu n ASP 287 Cb 0.78 0.60 0.55 0.00 -0.72 0.00 0.00 41.12 42.33 1jiu n ASP 287 CO 0.00 0.00 0.00 0.71 -1.92 0.00 0.00 177.20 175.99 1jiu h THR 288 N 2.24 0.70 -0.01 5.18 1.35 -1.46 0.29 112.91 121.20 1jiu h THR 288 Ca -0.02 -0.11 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1jiu h THR 288 Cb 0.99 0.34 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 1jiu h THR 288 CO 0.36 0.06 -0.04 0.29 -0.25 0.00 0.00 175.52 175.94 1jiu n LYS 289 N -4.46 1.10 -3.31 4.72 4.76 -1.26 -4.95 118.16 114.76 1jiu n LYS 289 Ca 0.17 -0.37 -0.17 0.00 -2.87 0.00 0.00 58.31 55.06 1jiu n LYS 289 Cb 0.67 -1.49 0.07 0.00 -1.84 0.00 0.00 35.03 32.43 1jiu n LYS 289 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1jiu n HIS 290 N -0.62 -2.39 0.07 2.13 8.25 0.09 -4.95 115.22 117.79 1jiu n HIS 290 Ca 0.19 0.80 -0.12 0.00 -0.26 0.00 0.00 57.72 58.34 1jiu n HIS 290 Cb 0.24 -4.03 -0.13 0.00 1.12 0.00 0.00 29.99 27.19 1jiu n HIS 290 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1jiu h ARG 291 N -1.19 0.14 0.57 -0.41 -0.00 -1.93 -3.37 114.38 108.19 1jiu h ARG 291 Ca -0.62 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.98 58.60 1jiu h ARG 291 Cb 1.32 0.09 0.01 0.00 0.00 0.00 0.00 29.97 31.38 1jiu h ARG 291 CO 0.45 1.04 -0.27 0.82 0.00 0.00 0.00 179.97 182.01 1jiu h ILE 292 N 0.04 0.40 -2.78 2.04 1.08 -1.92 -3.44 117.51 112.92 1jiu h ILE 292 Ca -0.12 -0.18 -0.18 0.00 -0.39 0.00 0.00 64.86 63.98 1jiu h ILE 292 Cb 1.91 0.47 -0.31 0.00 -3.07 0.00 0.00 36.82 35.82 1jiu h ILE 292 CO 0.16 0.03 -0.48 -0.51 -0.69 0.00 0.00 178.15 176.65 1jiu s ILE 293 N -5.55 -0.42 -1.41 -0.67 -1.16 -1.26 -5.02 121.20 105.71 1jiu s ILE 293 Ca -0.16 0.24 -0.13 0.00 -0.51 0.00 0.00 60.65 60.09 1jiu s ILE 293 Cb 0.03 -0.50 -0.03 0.00 0.61 0.00 0.00 42.46 42.57 1jiu s ILE 293 CO 0.58 0.10 2.46 -3.20 -2.81 0.00 0.00 174.94 172.07 1jiu n ASN 294 N 5.22 5.62 -3.19 4.50 5.15 -1.26 -4.67 115.26 126.64 1jiu n ASN 294 Ca -0.09 -2.68 0.01 0.00 -0.60 0.00 0.00 54.58 51.22 1jiu n ASN 294 Cb 0.50 -1.52 -0.02 0.00 -0.53 0.00 0.00 39.78 38.21 1jiu n ASN 294 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1jiu s ASP 295 N 3.02 -1.12 0.15 1.20 -1.08 -1.26 -5.04 116.67 112.53 1jiu s ASP 295 Ca 0.56 0.14 0.06 0.00 -0.52 0.00 0.00 52.55 52.79 1jiu s ASP 295 Cb 0.15 1.83 0.30 0.00 -1.46 0.00 0.00 42.92 43.74 1jiu s ASP 295 CO -0.05 -0.31 1.00 0.00 0.52 0.00 0.00 175.17 176.33 1jiu n ALA 296 N 5.41 0.57 0.28 3.66 0.00 -1.26 -1.50 120.51 127.67 1jiu n ALA 296 Ca 0.03 0.05 0.16 0.00 0.00 0.00 0.00 53.44 53.68 1jiu n ALA 296 Cb 0.53 -0.64 0.58 0.00 0.00 0.00 0.00 19.45 19.92 1jiu n ALA 296 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jiu h ARG 297 N 0.00 0.00 -0.15 0.00 3.08 -1.96 -2.73 114.38 112.62 1jiu h ARG 297 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1jiu h ARG 297 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1jiu h ARG 297 CO 0.00 0.00 0.00 1.19 -1.07 0.00 0.00 179.97 180.09 1jiu n PHE 298 N -3.02 0.20 -5.12 3.04 3.01 -0.56 -4.87 117.46 110.15 1jiu n PHE 298 Ca 0.01 -0.10 -0.31 0.00 1.01 0.00 0.00 57.45 58.06 1jiu n PHE 298 Cb 0.34 0.00 -0.15 0.00 -0.01 0.00 0.00 39.48 39.66 1jiu n PHE 298 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 1jiu s TYR 299 N -1.80 2.44 -0.07 1.38 1.51 -1.03 0.62 117.35 120.39 1jiu s TYR 299 Ca 0.30 -0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.03 1jiu s TYR 299 Cb 0.16 -1.52 0.01 0.00 -0.11 0.00 0.00 41.96 40.51 1jiu s TYR 299 CO 0.24 0.06 -0.12 0.14 -1.11 0.00 0.00 175.55 174.76 1jiu s VAL 300 N -0.69 1.16 0.00 0.71 -7.23 0.58 -4.91 120.40 110.03 1jiu s VAL 300 Ca 0.11 -0.48 0.11 0.00 -1.81 0.00 0.00 61.98 59.91 1jiu s VAL 300 Cb -0.10 -1.07 -0.18 0.00 0.56 0.00 0.00 36.38 35.59 1jiu s VAL 300 CO 0.00 0.36 1.02 -1.13 -0.31 0.00 0.00 175.10 175.04 1jiu h ASN 301 N 7.10 0.00 -1.58 4.85 -0.00 -1.93 -1.59 115.58 122.44 1jiu h ASN 301 Ca -0.31 0.00 -0.02 0.00 -0.00 0.00 0.00 56.30 55.97 1jiu h ASN 301 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 38.32 39.50 1jiu h ASN 301 CO 0.47 0.90 0.02 -0.46 -0.00 0.00 0.00 177.43 178.36 1jiu n ASN 302 N -3.17 -0.34 0.01 1.15 6.94 -1.26 -4.78 115.26 113.80 1jiu n ASN 302 Ca -0.07 -1.30 -0.11 0.00 -0.02 0.00 0.00 54.58 53.08 1jiu n ASN 302 Cb 0.95 0.59 -0.06 0.00 -2.36 0.00 0.00 39.78 38.90 1jiu n ASN 302 CO 0.00 0.00 0.00 -0.09 -1.03 0.00 0.00 177.26 176.14 1jiu h ARG 303 N 0.00 0.10 -0.97 -3.83 2.43 -1.96 -2.24 114.38 107.91 1jiu h ARG 303 Ca -0.05 -0.01 0.08 0.00 -0.81 0.00 0.00 59.98 59.19 1jiu h ARG 303 Cb 0.21 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.67 1jiu h ARG 303 CO 0.07 0.10 0.62 0.00 -1.51 0.00 0.00 179.97 179.25 1jiu h ALA 304 N 0.99 1.38 -0.12 2.80 0.00 -1.97 -0.98 119.26 121.35 1jiu h ALA 304 Ca 0.03 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 1jiu h ALA 304 Cb 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jiu h ALA 304 CO -0.00 0.35 -0.50 1.49 0.00 0.00 0.00 179.25 180.58 1jiu h GLU 305 N 1.08 0.32 0.09 0.00 4.81 -1.92 -1.04 114.58 117.92 1jiu h GLU 305 Ca 0.44 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1jiu h GLU 305 Cb 0.26 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.65 1jiu h GLU 305 CO -0.20 0.75 -0.04 1.25 -0.73 0.00 0.00 179.01 180.03 1jiu h LEU 306 N 0.25 -0.10 -0.87 1.64 5.85 -0.72 0.27 115.31 121.63 1jiu h LEU 306 Ca 0.01 -0.20 0.11 0.00 0.84 0.00 0.00 57.88 58.64 1jiu h LEU 306 Cb 0.97 0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.95 1jiu h LEU 306 CO 0.08 0.14 0.50 0.40 -0.34 0.00 0.00 178.44 179.22 1jiu h ILE 307 N -0.35 0.87 0.01 4.05 1.08 -1.10 0.10 117.51 122.17 1jiu h ILE 307 Ca -0.01 -0.27 -0.00 0.00 -0.39 0.00 0.00 64.86 64.19 1jiu h ILE 307 Cb 0.29 0.01 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 1jiu h ILE 307 CO 0.02 0.14 -0.00 -0.78 -0.69 0.00 0.00 178.15 176.84 1jiu h ASP 308 N 0.79 -0.01 -0.82 1.72 3.58 -0.85 -1.16 116.42 119.67 1jiu h ASP 308 Ca 0.43 -0.34 0.06 0.00 0.42 0.00 0.00 57.03 57.60 1jiu h ASP 308 Cb 0.46 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 1jiu h ASP 308 CO -0.28 0.34 0.50 -0.09 -2.88 0.00 0.00 179.24 176.83 1jiu h ARG 309 N -0.36 0.89 -0.41 0.28 9.65 0.14 -2.18 114.38 122.39 1jiu h ARG 309 Ca -0.00 -0.05 -0.11 0.00 -1.10 0.00 0.00 59.98 58.72 1jiu h ARG 309 Cb 0.35 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1jiu h ARG 309 CO 0.00 0.59 -0.16 0.28 2.80 0.00 0.00 179.97 183.48 1jiu h VAL 310 N 0.92 1.28 -0.02 0.20 2.07 -0.93 -2.21 116.25 117.55 1jiu h VAL 310 Ca 0.36 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.60 1jiu h VAL 310 Cb 0.17 1.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.18 1jiu h VAL 310 CO -0.17 0.43 0.02 0.78 0.02 0.00 0.00 177.57 178.65 1jiu h ASN 311 N 0.66 0.00 -0.06 0.57 2.35 -0.74 -0.44 115.58 117.91 1jiu h ASN 311 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.82 1jiu h ASN 311 Cb 0.71 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.08 1jiu h ASN 311 CO 0.05 0.00 -0.06 -0.33 -1.65 0.00 0.00 177.43 175.44 1jiu h GLU 312 N 0.00 0.15 0.00 0.81 5.08 -0.97 -2.33 114.58 117.32 1jiu h GLU 312 Ca 0.01 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 1jiu h GLU 312 Cb 0.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1jiu h GLU 312 CO -0.00 0.60 -0.23 -0.07 -1.00 0.00 0.00 179.01 178.32 1jiu h LEU 313 N -0.31 0.00 -0.35 1.33 3.38 -0.79 -1.19 115.31 117.39 1jiu h LEU 313 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1jiu h LEU 313 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1jiu h LEU 313 CO 0.02 0.23 -0.83 0.11 0.09 0.00 0.00 178.44 178.06 1jiu h LYS 314 N 0.00 0.01 0.00 1.13 1.79 -1.06 -3.29 116.57 115.15 1jiu h LYS 314 Ca -0.00 -0.01 -0.15 0.00 -2.18 0.00 0.00 60.65 58.31 1jiu h LYS 314 Cb 0.43 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.06 1jiu h LYS 314 CO 0.03 0.83 -1.10 1.25 -1.08 0.00 0.00 179.45 179.38 1jiu h HIS 315 N 0.00 0.00 -3.32 -1.35 2.76 -0.95 -3.44 115.15 108.86 1jiu h HIS 315 Ca -0.01 0.00 -0.58 0.00 -2.20 0.00 0.00 60.37 57.58 1jiu h HIS 315 Cb 1.46 0.00 -0.40 0.00 1.55 0.00 0.00 27.41 30.03 1jiu h HIS 315 CO 0.00 0.58 -0.76 0.45 -1.30 0.00 0.00 177.93 176.91 1jiu s SER 316 N -6.06 3.88 0.43 3.26 0.15 -0.49 -4.95 113.70 109.92 1jiu s SER 316 Ca -0.00 -1.46 0.23 0.00 0.70 0.00 0.00 55.95 55.41 1jiu s SER 316 Cb 0.08 -0.95 0.88 0.00 -1.71 0.00 0.00 66.02 64.32 1jiu s SER 316 CO 0.79 -0.36 1.81 -0.78 1.20 0.00 0.00 173.24 175.90 1jiu h ASP 317 N 8.04 0.00 -0.66 5.45 3.58 -1.86 -1.72 116.42 129.25 1jiu h ASP 317 Ca -0.14 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.23 1jiu h ASP 317 Cb 1.04 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 42.07 1jiu h ASP 317 CO 0.44 0.25 0.12 0.58 -2.88 0.00 0.00 179.24 177.75 1jiu h VAL 318 N 0.00 1.26 -0.22 2.25 2.07 -1.92 -1.62 116.25 118.07 1jiu h VAL 318 Ca -0.00 -1.02 -0.19 0.00 0.82 0.00 0.00 66.70 66.31 1jiu h VAL 318 Cb 0.77 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1jiu h VAL 318 CO 0.03 0.39 -0.60 0.25 0.02 0.00 0.00 177.57 177.66 1jiu h LEU 319 N 1.03 0.90 -0.56 2.57 5.85 -1.77 -2.04 115.31 121.29 1jiu h LEU 319 Ca 0.20 -0.58 0.01 0.00 0.84 0.00 0.00 57.88 58.35 1jiu h LEU 319 Cb 0.43 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 1jiu h LEU 319 CO 0.01 1.32 0.37 -0.09 -0.34 0.00 0.00 178.44 179.72 1jiu h ARG 320 N 0.53 0.74 -0.07 1.25 2.43 -1.15 -1.66 114.38 116.46 1jiu h ARG 320 Ca -0.01 -0.05 -0.15 0.00 -0.81 0.00 0.00 59.98 58.96 1jiu h ARG 320 Cb 1.22 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.59 1jiu h ARG 320 CO 0.13 0.49 -0.62 0.87 -1.51 0.00 0.00 179.97 179.33 1jiu h LYS 321 N 0.77 0.24 -0.47 0.20 1.57 -1.31 -1.61 116.57 115.96 1jiu h LYS 321 Ca 0.21 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 1jiu h LYS 321 Cb -0.09 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1jiu h LYS 321 CO -0.04 0.78 0.16 1.49 -0.57 0.00 0.00 179.45 181.27 1jiu h GLU 322 N 0.17 0.71 -0.40 3.15 4.81 -1.00 -0.65 114.58 121.38 1jiu h GLU 322 Ca -0.01 -0.14 -0.14 0.00 -0.13 0.00 0.00 59.36 58.94 1jiu h GLU 322 Cb 1.13 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.39 1jiu h GLU 322 CO 0.10 0.66 -0.29 0.52 -0.73 0.00 0.00 179.01 179.27 1jiu h MET 323 N 0.61 0.91 -0.06 1.92 2.86 -1.24 -1.98 114.93 117.96 1jiu h MET 323 Ca 0.15 -0.44 0.02 0.00 -2.06 0.00 0.00 59.70 57.38 1jiu h MET 323 Cb 0.24 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.87 1jiu h MET 323 CO -0.01 1.09 -0.07 -0.07 1.06 0.00 0.00 176.91 178.91 1jiu h LEU 324 N 0.73 -0.22 -1.00 1.22 3.38 -1.11 -1.01 115.31 117.31 1jiu h LEU 324 Ca 0.08 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.22 1jiu h LEU 324 Cb 0.87 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.64 1jiu h LEU 324 CO 0.08 -0.10 0.62 -1.28 0.09 0.00 0.00 178.44 177.85 1jiu h SER 325 N -0.10 0.89 0.36 -0.43 0.87 -1.03 -0.25 113.55 113.87 1jiu h SER 325 Ca 0.05 0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 1jiu h SER 325 Cb 0.17 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1jiu h SER 325 CO -0.12 0.44 -0.17 0.40 -0.53 0.00 0.00 176.83 176.85 1jiu h ILE 326 N 0.94 0.60 -0.90 2.23 1.08 -0.62 -2.01 117.51 118.82 1jiu h ILE 326 Ca 0.51 -0.54 0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1jiu h ILE 326 Cb 0.57 0.84 -0.05 0.00 -3.07 0.00 0.00 36.82 35.11 1jiu h ILE 326 CO -0.29 0.09 0.60 0.06 -0.69 0.00 0.00 178.15 177.92 1jiu h GLN 327 N -0.82 1.18 -0.74 2.37 3.07 -0.94 -0.95 115.11 118.29 1jiu h GLN 327 Ca -0.05 -0.07 -0.02 0.00 0.09 0.00 0.00 58.65 58.60 1jiu h GLN 327 Cb 0.53 -0.27 -0.03 0.00 0.08 0.00 0.00 27.48 27.79 1jiu h GLN 327 CO 0.08 0.78 0.39 0.45 0.09 0.00 0.00 178.83 180.62 1jiu h HIS 328 N 1.22 1.03 -0.58 0.06 3.86 -1.06 0.31 115.15 119.98 1jiu h HIS 328 Ca 0.33 -0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.46 1jiu h HIS 328 Cb -0.13 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 27.99 1jiu h HIS 328 CO -0.00 0.73 0.15 0.22 0.86 0.00 0.00 177.93 179.89 1jiu h ASP 329 N 1.02 0.83 -0.35 2.45 3.58 -0.53 -1.18 116.42 122.24 1jiu h ASP 329 Ca 0.26 -0.15 -0.17 0.00 0.42 0.00 0.00 57.03 57.39 1jiu h ASP 329 Cb 0.06 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 1jiu h ASP 329 CO -0.04 0.81 -0.43 0.40 -2.88 0.00 0.00 179.24 177.10 1jiu h ILE 330 N 0.86 1.27 -0.76 2.25 1.08 -0.65 -2.66 117.51 118.90 1jiu h ILE 330 Ca 0.19 -1.60 0.01 0.00 -0.39 0.00 0.00 64.86 63.06 1jiu h ILE 330 Cb 0.29 1.48 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 1jiu h ILE 330 CO -0.00 0.53 0.50 0.25 -0.69 0.00 0.00 178.15 178.74 1jiu h LEU 331 N 0.71 0.86 -2.07 1.44 6.46 -0.56 -1.19 115.31 120.96 1jiu h LEU 331 Ca 0.05 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.77 1jiu h LEU 331 Cb 1.03 -0.21 -0.00 0.00 -0.73 0.00 0.00 40.66 40.74 1jiu h LEU 331 CO 0.10 0.62 -0.07 0.78 -0.62 0.00 0.00 178.44 179.26 1jiu h ASN 332 N 1.02 0.00 0.33 1.25 -0.26 -1.08 -1.60 115.58 115.25 1jiu h ASN 332 Ca 0.28 0.00 -0.13 0.00 -0.56 0.00 0.00 56.30 55.90 1jiu h ASN 332 Cb -0.10 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.14 1jiu h ASN 332 CO -0.07 0.07 -0.52 0.11 -1.06 0.00 0.00 177.43 175.97 1jiu h LYS 333 N 0.00 0.21 0.07 0.81 1.57 -0.87 -1.85 116.57 116.51 1jiu h LYS 333 Ca -0.00 -0.12 -0.25 0.00 -1.87 0.00 0.00 60.65 58.41 1jiu h LYS 333 Cb 0.15 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1jiu h LYS 333 CO 0.01 0.68 -1.10 1.15 -0.57 0.00 0.00 179.45 179.61 1jiu h THR 334 N 0.16 1.47 -0.48 -0.16 2.02 -1.13 -3.21 112.91 111.59 1jiu h THR 334 Ca 0.00 -2.82 -0.03 0.00 0.77 0.00 0.00 66.41 64.33 1jiu h THR 334 Cb 0.97 2.73 -0.02 0.00 -1.74 0.00 0.00 68.15 70.08 1jiu h THR 334 CO 0.08 0.83 0.17 0.03 0.37 0.00 0.00 175.52 176.99 1jiu h ARG 335 N 0.13 0.69 0.00 6.66 3.08 -1.16 -1.70 114.38 122.08 1jiu h ARG 335 Ca -0.11 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.84 1jiu h ARG 335 Cb 1.79 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.72 1jiu h ARG 335 CO 0.18 0.59 0.00 0.00 -1.07 0.00 0.00 179.97 179.68 1jiu n ALA 336 N -2.46 1.90 -1.06 0.04 0.00 -0.71 -1.35 120.51 116.86 1jiu n ALA 336 Ca 0.04 -0.05 0.09 0.00 0.00 0.00 0.00 53.44 53.51 1jiu n ALA 336 Cb 0.17 -1.14 0.21 0.00 0.00 0.00 0.00 19.45 18.69 1jiu n ALA 336 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jiu n LYS 337 N -0.88 2.15 -0.18 0.00 5.02 -0.64 -4.74 118.16 118.89 1jiu n LYS 337 Ca 0.06 -2.75 -0.01 0.00 -2.02 0.00 0.00 58.31 53.59 1jiu n LYS 337 Cb 0.03 -1.69 0.06 0.00 -0.02 0.00 0.00 35.03 33.41 1jiu n LYS 337 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 1jiu h LYS 338 N 0.98 0.04 -0.52 1.97 3.64 -1.35 0.11 116.57 121.45 1jiu h LYS 338 Ca 0.01 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 1jiu h LYS 338 Cb 1.26 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 1jiu h LYS 338 CO 0.13 0.03 0.31 0.00 -2.27 0.00 0.00 179.45 177.64 1jiu h ALA 339 N 1.54 0.66 -0.35 5.00 0.00 -1.85 0.30 119.26 124.57 1jiu h ALA 339 Ca 0.28 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1jiu h ALA 339 Cb 0.44 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1jiu h ALA 339 CO -0.54 0.01 -0.05 1.49 0.00 0.00 0.00 179.25 180.16 1jiu h GLU 340 N 0.61 0.57 -0.09 0.00 4.81 -1.53 -2.38 114.58 116.57 1jiu h GLU 340 Ca 0.21 -0.14 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1jiu h GLU 340 Cb 0.03 -0.07 -0.00 0.00 0.63 0.00 0.00 28.75 29.33 1jiu h GLU 340 CO -0.10 0.63 -0.07 2.35 -0.73 0.00 0.00 179.01 181.09 1jiu h TRP 341 N 0.53 0.24 -0.80 0.92 7.01 -0.13 -2.14 115.95 121.58 1jiu h TRP 341 Ca 0.11 -0.07 0.03 0.00 2.11 0.00 0.00 58.89 61.07 1jiu h TRP 341 Cb 0.42 -0.05 -0.05 0.00 -2.10 0.00 0.00 29.16 27.38 1jiu h TRP 341 CO 0.02 0.61 0.51 1.96 -2.79 0.00 0.00 178.44 178.75 1jiu h GLN 342 N -0.21 0.97 -0.59 2.65 4.20 -0.87 -1.57 115.11 119.70 1jiu h GLN 342 Ca 0.02 -0.06 -0.05 0.00 0.06 0.00 0.00 58.65 58.61 1jiu h GLN 342 Cb 0.56 -0.22 -0.02 0.00 0.30 0.00 0.00 27.48 28.10 1jiu h GLN 342 CO 0.02 0.64 0.16 -0.44 -0.67 0.00 0.00 178.83 178.54 1jiu h ASP 343 N 1.00 0.87 -0.24 1.46 3.32 -1.44 -0.97 116.42 120.43 1jiu h ASP 343 Ca 0.32 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.12 1jiu h ASP 343 Cb 0.01 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1jiu h ASP 343 CO -0.11 0.87 0.07 0.00 -1.72 0.00 0.00 179.24 178.34 1jiu h ALA 344 N 1.04 1.51 -0.23 3.45 0.00 -0.91 -1.07 119.26 123.04 1jiu h ALA 344 Ca 0.19 -0.14 -0.19 0.00 0.00 0.00 0.00 54.91 54.76 1jiu h ALA 344 Cb 0.32 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1jiu h ALA 344 CO -0.00 0.36 -0.61 0.35 0.00 0.00 0.00 179.25 179.35 1jiu h PHE 345 N 0.47 1.01 -0.21 0.00 3.57 -0.80 -1.32 116.94 119.66 1jiu h PHE 345 Ca 0.11 -0.39 -0.07 0.00 3.53 0.00 0.00 57.97 61.16 1jiu h PHE 345 Cb 0.21 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 1jiu h PHE 345 CO 0.01 1.20 -0.16 0.87 -2.23 0.00 0.00 178.31 178.00 1jiu h LYS 346 N 0.59 0.35 -0.19 1.11 1.57 -0.61 -2.44 116.57 116.95 1jiu h LYS 346 Ca -0.01 -0.10 -0.19 0.00 -1.87 0.00 0.00 60.65 58.48 1jiu h LYS 346 Cb 1.22 -0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.49 1jiu h LYS 346 CO 0.13 0.52 -0.63 -0.22 -0.57 0.00 0.00 179.45 178.67 1jiu h LYS 347 N 0.33 0.77 -0.53 3.15 3.64 -1.09 0.50 116.57 123.34 1jiu h LYS 347 Ca 0.06 -0.57 0.10 0.00 -1.27 0.00 0.00 60.65 58.97 1jiu h LYS 347 Cb 0.48 0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 32.32 1jiu h LYS 347 CO 0.03 1.19 0.05 0.00 -2.27 0.00 0.00 179.45 178.45 1jiu h ALA 348 N 0.58 0.55 -0.54 5.00 0.00 -0.78 0.01 119.26 124.08 1jiu h ALA 348 Ca -0.02 0.14 -0.34 0.00 0.00 0.00 0.00 54.91 54.68 1jiu h ALA 348 Cb 1.26 0.22 -0.16 0.00 0.00 0.00 0.00 17.79 19.10 1jiu h ALA 348 CO 0.13 -0.35 0.44 0.44 0.00 0.00 0.00 179.25 179.92 1jiu n ILE 349 N -5.19 2.70 -3.30 0.00 -5.35 -0.99 -4.86 119.36 102.38 1jiu n ILE 349 Ca 0.06 -1.61 -0.21 0.00 -0.27 0.00 0.00 62.75 60.73 1jiu n ILE 349 Cb 0.28 -1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 37.02 1jiu n ILE 349 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 1jiu n ASP 350 N 0.03 -3.15 -0.90 7.28 8.00 -0.01 -5.03 116.55 122.77 1jiu n ASP 350 Ca 0.34 -0.31 0.11 0.00 0.71 0.00 0.00 54.79 55.64 1jiu n ASP 350 Cb 0.74 -2.65 0.09 0.00 -0.02 0.00 0.00 41.12 39.29 1jiu n ASP 350 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99