#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ja8 s HIS 2 N 0.00 3.31 0.18 2.13 3.76 -1.26 -5.04 115.29 118.36 1ja8 s HIS 2 Ca 0.00 1.64 0.10 0.00 -0.15 0.00 0.00 55.06 56.64 1ja8 s HIS 2 Cb 0.00 -3.24 -0.04 0.00 1.11 0.00 0.00 32.58 30.40 1ja8 s HIS 2 CO 0.00 -0.79 -0.20 -1.12 -0.85 0.00 0.00 174.74 171.78 1ja8 s SER 3 N -1.25 2.97 -0.35 1.40 0.01 -1.26 -4.90 113.70 110.31 1ja8 s SER 3 Ca 0.54 -0.88 -0.29 0.00 1.31 0.00 0.00 55.95 56.63 1ja8 s SER 3 Cb -0.27 -0.20 0.01 0.00 0.21 0.00 0.00 66.02 65.78 1ja8 s SER 3 CO 0.34 0.01 1.18 -0.22 0.41 0.00 0.00 173.24 174.97 1ja8 s LEU 4 N -2.74 3.83 0.49 2.44 2.96 -1.26 -5.01 118.68 119.40 1ja8 s LEU 4 Ca 0.18 0.96 -0.21 0.00 -0.22 0.00 0.00 54.13 54.84 1ja8 s LEU 4 Cb -0.06 -3.54 -0.07 0.00 0.50 0.00 0.00 46.19 43.01 1ja8 s LEU 4 CO 0.08 -1.05 1.11 -2.16 -1.32 0.00 0.00 176.35 173.00 1ja8 s PRO 5 N 4.06 3.66 0.58 0.98 0.04 -1.26 -5.01 135.00 138.05 1ja8 s PRO 5 Ca 0.50 1.58 -0.16 0.00 0.04 0.00 0.00 61.00 62.96 1ja8 s PRO 5 Cb -0.13 -2.19 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1ja8 s PRO 5 CO 0.22 -0.59 1.05 -0.51 0.04 0.00 0.00 177.00 177.21 1ja8 s ASP 6 N -1.70 5.89 0.54 6.66 -0.00 -1.26 -5.02 116.67 121.79 1ja8 s ASP 6 Ca 0.67 1.80 -0.18 0.00 -0.00 0.00 0.00 52.55 54.84 1ja8 s ASP 6 Cb -0.23 -2.53 -0.06 0.00 -0.00 0.00 0.00 42.92 40.10 1ja8 s ASP 6 CO 0.27 -1.09 1.06 -0.76 -0.00 0.00 0.00 175.17 174.65 1ja8 s LEU 7 N -4.41 3.67 0.00 1.23 1.02 -1.26 -4.91 118.68 114.02 1ja8 s LEU 7 Ca 0.63 1.90 0.23 0.00 0.02 0.00 0.00 54.13 56.91 1ja8 s LEU 7 Cb -0.15 -4.55 1.32 0.00 0.02 0.00 0.00 46.19 42.82 1ja8 s LEU 7 CO 0.36 -1.01 1.85 -2.65 0.02 0.00 0.00 176.35 174.92 1ja8 n PRO 8 N -1.51 1.06 -3.90 1.29 -0.02 -1.26 -4.86 135.00 125.80 1ja8 n PRO 8 Ca 0.09 -0.08 -0.09 0.00 -2.02 0.00 0.00 63.50 61.40 1ja8 n PRO 8 Cb 0.52 -1.36 -0.01 0.00 -0.02 0.00 0.00 33.50 32.63 1ja8 n PRO 8 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1ja8 s TYR 9 N -1.99 0.19 1.12 6.00 1.13 -1.26 -5.08 117.35 117.45 1ja8 s TYR 9 Ca 0.34 -0.68 -0.15 0.00 -1.41 0.00 0.00 57.07 55.17 1ja8 s TYR 9 Cb 0.16 0.56 0.25 0.00 -1.10 0.00 0.00 41.96 41.83 1ja8 s TYR 9 CO 0.26 -1.30 1.08 -0.51 -2.51 0.00 0.00 175.55 172.57 1ja8 s ASP 10 N -3.03 1.56 0.14 -0.18 1.01 -1.26 -4.94 116.67 109.97 1ja8 s ASP 10 Ca 0.17 1.03 -0.07 0.00 0.71 0.00 0.00 52.55 54.39 1ja8 s ASP 10 Cb -0.04 -1.58 -0.05 0.00 1.01 0.00 0.00 42.92 42.26 1ja8 s ASP 10 CO 0.11 -3.77 1.37 1.88 0.21 0.00 0.00 175.17 174.97 1ja8 h TYR 11 N -2.33 0.84 -0.37 4.23 0.05 -1.96 -3.03 116.97 114.39 1ja8 h TYR 11 Ca -0.53 -0.37 0.00 0.00 0.05 0.00 0.00 58.73 57.89 1ja8 h TYR 11 Cb 1.32 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.93 1ja8 h TYR 11 CO -0.64 1.16 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 1ja8 n GLY 12 N 0.62 0.86 0.26 3.88 0.00 -1.26 -4.21 105.19 105.34 1ja8 n GLY 12 Ca -0.06 -0.41 0.17 0.00 0.00 0.00 0.00 46.02 45.72 1ja8 n GLY 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ja8 h ALA 13 N 3.64 1.00 -0.43 4.61 0.00 -1.88 -2.68 119.26 123.52 1ja8 h ALA 13 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ja8 h ALA 13 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1ja8 h ALA 13 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 1ja8 n LEU 14 N -2.79 4.12 -4.78 0.00 4.77 -1.26 -4.31 117.00 112.75 1ja8 n LEU 14 Ca -0.01 -2.60 -0.35 0.00 -0.03 0.00 0.00 56.01 53.02 1ja8 n LEU 14 Cb 0.15 -0.50 -0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1ja8 n LEU 14 CO 0.20 0.73 0.78 -1.61 -1.33 0.00 0.00 177.39 176.15 1ja8 s GLU 15 N -2.10 3.50 -0.02 3.23 0.41 -1.01 -1.84 118.70 120.86 1ja8 s GLU 15 Ca 0.42 1.60 0.17 0.00 -0.41 0.00 0.00 54.97 56.74 1ja8 s GLU 15 Cb 0.29 -2.09 0.51 0.00 -1.78 0.00 0.00 34.13 31.07 1ja8 s GLU 15 CO 0.16 -0.73 1.42 -0.35 -0.49 0.00 0.00 175.26 175.27 1ja8 n PRO 16 N -1.11 2.49 -0.24 0.39 -0.04 -1.26 -4.88 135.00 130.36 1ja8 n PRO 16 Ca 0.11 -2.07 -0.08 0.00 -0.04 0.00 0.00 63.50 61.42 1ja8 n PRO 16 Cb 0.51 -1.51 0.04 0.00 -0.04 0.00 0.00 33.50 32.50 1ja8 n PRO 16 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ja8 h HIS 17 N 3.26 1.19 -2.80 0.54 3.86 -1.72 -3.39 115.15 116.09 1ja8 h HIS 17 Ca 0.00 -0.17 -0.43 0.00 -1.16 0.00 0.00 60.37 58.61 1ja8 h HIS 17 Cb 0.85 -0.33 -0.39 0.00 1.06 0.00 0.00 27.41 28.61 1ja8 h HIS 17 CO 0.43 1.00 -0.72 0.42 0.86 0.00 0.00 177.93 179.92 1ja8 s ILE 18 N -5.20 -0.17 0.96 2.45 1.01 -0.79 -4.71 121.20 114.75 1ja8 s ILE 18 Ca -0.12 -0.28 -0.11 0.00 0.00 0.00 0.00 60.65 60.14 1ja8 s ILE 18 Cb 0.14 -0.70 0.17 0.00 0.01 0.00 0.00 42.46 42.08 1ja8 s ILE 18 CO 0.85 -0.36 1.11 0.54 0.00 0.00 0.00 174.94 177.09 1ja8 s ASN 19 N 2.20 2.57 0.36 3.58 2.20 -1.26 -3.71 114.94 120.88 1ja8 s ASN 19 Ca 0.05 1.99 0.05 0.00 -0.94 0.00 0.00 52.86 54.02 1ja8 s ASN 19 Cb -0.16 -2.49 0.70 0.00 -2.00 0.00 0.00 41.25 37.30 1ja8 s ASN 19 CO -0.17 -3.29 1.95 0.00 -2.94 0.00 0.00 177.10 172.65 1ja8 h ALA 20 N -2.00 1.50 -0.80 3.54 0.00 -1.89 -2.70 119.26 116.92 1ja8 h ALA 20 Ca -0.48 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.30 1ja8 h ALA 20 Cb 1.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ja8 h ALA 20 CO 0.45 0.38 0.46 0.37 0.00 0.00 0.00 179.25 180.91 1ja8 h GLN 21 N 0.54 1.09 0.00 0.00 4.15 -1.91 -1.06 115.11 117.92 1ja8 h GLN 21 Ca 0.13 -0.10 -0.00 0.00 0.77 0.00 0.00 58.65 59.45 1ja8 h GLN 21 Cb 0.16 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 27.63 1ja8 h GLN 21 CO -0.01 0.77 -0.00 0.82 -1.93 0.00 0.00 178.83 178.48 1ja8 h ILE 22 N 1.10 1.47 -0.34 2.39 2.04 -1.86 -2.36 117.51 119.95 1ja8 h ILE 22 Ca 0.28 -1.41 0.07 0.00 1.00 0.00 0.00 64.86 64.81 1ja8 h ILE 22 Cb -0.02 2.43 -0.07 0.00 -0.74 0.00 0.00 36.82 38.42 1ja8 h ILE 22 CO -0.05 0.36 -0.10 0.24 0.00 0.00 0.00 178.15 178.60 1ja8 h MET 23 N -0.61 -0.02 0.25 2.37 2.86 -1.35 0.23 114.93 118.67 1ja8 h MET 23 Ca -0.00 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1ja8 h MET 23 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 1ja8 h MET 23 CO 0.00 -0.01 -0.22 0.37 1.06 0.00 0.00 176.91 178.11 1ja8 h GLN 24 N -0.02 -0.47 -0.32 1.72 4.15 -1.24 0.01 115.11 118.94 1ja8 h GLN 24 Ca 0.17 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.61 1ja8 h GLN 24 Cb 0.28 0.11 -0.01 0.00 0.21 0.00 0.00 27.48 28.06 1ja8 h GLN 24 CO -0.37 -0.31 0.16 -0.07 -1.93 0.00 0.00 178.83 176.31 1ja8 h LEU 25 N -0.49 0.41 -0.62 -2.39 3.38 -1.14 0.18 115.31 114.64 1ja8 h LEU 25 Ca -0.01 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 57.93 1ja8 h LEU 25 Cb 0.44 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.02 1ja8 h LEU 25 CO -0.03 0.40 0.29 -0.74 0.09 0.00 0.00 178.44 178.45 1ja8 h HIS 26 N 0.39 0.51 0.00 1.13 2.76 -0.43 0.12 115.15 119.63 1ja8 h HIS 26 Ca 0.11 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1ja8 h HIS 26 Cb 0.09 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 28.92 1ja8 h HIS 26 CO -0.02 0.19 -0.00 1.25 -1.30 0.00 0.00 177.93 178.04 1ja8 h HIS 27 N 0.51 -0.00 -0.10 5.26 -0.00 -0.81 -1.51 115.15 118.50 1ja8 h HIS 27 Ca 0.30 -0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.70 1ja8 h HIS 27 Cb 0.30 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.71 1ja8 h HIS 27 CO -0.13 -0.00 0.08 0.66 -0.00 0.00 0.00 177.93 178.54 1ja8 h SER 28 N -0.24 0.00 0.00 3.26 4.64 -0.73 -2.64 113.55 117.84 1ja8 h SER 28 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1ja8 h SER 28 Cb 0.00 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1ja8 h SER 28 CO 0.00 0.00 -0.67 0.29 -0.87 0.00 0.00 176.83 175.58 1ja8 n LYS 29 N -4.19 0.32 0.14 4.77 4.76 0.34 -4.33 118.16 119.97 1ja8 n LYS 29 Ca -0.01 0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.42 1ja8 n LYS 29 Cb 0.19 -1.05 -0.08 0.00 -1.84 0.00 0.00 35.03 32.25 1ja8 n LYS 29 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ja8 h HIS 30 N -0.59 -0.34 -0.25 2.13 3.86 -1.38 -1.81 115.15 116.77 1ja8 h HIS 30 Ca -0.02 -0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.16 1ja8 h HIS 30 Cb 0.64 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 29.21 1ja8 h HIS 30 CO -0.24 -0.03 0.10 1.25 0.86 0.00 0.00 177.93 179.87 1ja8 h HIS 31 N -0.66 0.38 -0.45 2.45 -0.00 -1.19 -1.80 115.15 113.89 1ja8 h HIS 31 Ca -0.04 -0.03 0.09 0.00 -0.00 0.00 0.00 60.37 60.40 1ja8 h HIS 31 Cb 0.46 -0.12 -0.09 0.00 -0.00 0.00 0.00 27.41 27.67 1ja8 h HIS 31 CO 0.02 0.40 -0.15 0.00 -0.00 0.00 0.00 177.93 178.19 1ja8 h ALA 32 N 0.95 0.23 -0.86 5.26 0.00 -1.52 -1.12 119.26 122.20 1ja8 h ALA 32 Ca 0.08 0.17 0.02 0.00 0.00 0.00 0.00 54.91 55.19 1ja8 h ALA 32 Cb 0.17 0.40 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 1ja8 h ALA 32 CO -0.01 -0.49 0.56 0.00 0.00 0.00 0.00 179.25 179.32 1ja8 h ALA 33 N 1.35 1.11 -0.27 0.00 0.00 -1.03 -1.71 119.26 118.70 1ja8 h ALA 33 Ca 0.22 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1ja8 h ALA 33 Cb 0.38 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 1ja8 h ALA 33 CO -0.48 0.44 0.01 1.88 0.00 0.00 0.00 179.25 181.10 1ja8 h TYR 34 N 1.12 0.01 0.25 0.00 0.99 -0.35 0.67 116.97 119.66 1ja8 h TYR 34 Ca 0.33 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 61.07 1ja8 h TYR 34 Cb -0.06 0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.71 1ja8 h TYR 34 CO -0.02 -0.03 -0.13 0.28 -0.00 0.00 0.00 178.16 178.27 1ja8 h VAL 35 N 0.10 0.74 -0.50 -2.88 2.07 -0.92 0.49 116.25 115.35 1ja8 h VAL 35 Ca 0.13 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.64 1ja8 h VAL 35 Cb 0.16 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.65 1ja8 h VAL 35 CO -0.21 0.00 0.28 0.78 0.02 0.00 0.00 177.57 178.44 1ja8 h ASN 36 N -0.35 0.61 -0.13 0.57 2.35 -1.18 -0.87 115.58 116.59 1ja8 h ASN 36 Ca -0.03 -0.08 -0.07 0.00 -0.55 0.00 0.00 56.30 55.57 1ja8 h ASN 36 Cb 0.27 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1ja8 h ASN 36 CO 0.05 0.51 -0.11 0.78 -1.65 0.00 0.00 177.43 177.02 1ja8 h ASN 37 N 0.66 0.44 -0.25 5.81 -0.26 -0.67 -2.12 115.58 119.20 1ja8 h ASN 37 Ca 0.18 -0.11 -0.03 0.00 -0.56 0.00 0.00 56.30 55.78 1ja8 h ASN 37 Cb 0.03 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.16 1ja8 h ASN 37 CO -0.03 0.59 0.04 0.25 -1.06 0.00 0.00 177.43 177.22 1ja8 h LEU 38 N 0.43 0.40 -1.08 1.61 5.85 0.52 -0.74 115.31 122.29 1ja8 h LEU 38 Ca 0.08 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.53 1ja8 h LEU 38 Cb 0.45 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 1ja8 h LEU 38 CO 0.03 0.56 0.46 0.78 -0.34 0.00 0.00 178.44 179.93 1ja8 h ASN 39 N 0.22 0.97 -0.43 1.25 2.35 -0.91 -0.62 115.58 118.41 1ja8 h ASN 39 Ca 0.08 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.66 1ja8 h ASN 39 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 1ja8 h ASN 39 CO 0.01 0.76 -0.10 0.58 -1.65 0.00 0.00 177.43 177.03 1ja8 h VAL 40 N 1.11 1.27 -0.39 2.81 2.07 -1.23 -2.45 116.25 119.44 1ja8 h VAL 40 Ca 0.29 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1ja8 h VAL 40 Cb -0.01 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1ja8 h VAL 40 CO -0.05 0.41 -0.01 0.74 0.02 0.00 0.00 177.57 178.68 1ja8 h THR 41 N 0.65 1.26 -0.91 2.57 2.02 -0.68 -2.61 112.91 115.20 1ja8 h THR 41 Ca 0.11 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1ja8 h THR 41 Cb 0.63 1.15 -0.04 0.00 -1.74 0.00 0.00 68.15 68.15 1ja8 h THR 41 CO 0.04 0.34 0.58 -0.33 0.37 0.00 0.00 175.52 176.53 1ja8 h GLU 42 N 0.52 1.21 -0.46 6.66 5.08 -1.11 0.40 114.58 126.87 1ja8 h GLU 42 Ca 0.11 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 1ja8 h GLU 42 Cb 0.48 -0.27 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 1ja8 h GLU 42 CO 0.02 0.82 0.23 1.49 -1.00 0.00 0.00 179.01 180.57 1ja8 h GLU 43 N 1.24 0.44 0.00 2.33 4.57 -1.32 0.25 114.58 122.08 1ja8 h GLU 43 Ca 0.33 -0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.42 1ja8 h GLU 43 Cb -0.11 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 1ja8 h GLU 43 CO -0.07 0.29 -0.28 0.87 -1.18 0.00 0.00 179.01 178.64 1ja8 h LYS 44 N 0.45 0.00 0.06 1.92 1.57 -1.00 -2.67 116.57 116.90 1ja8 h LYS 44 Ca 0.20 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.71 1ja8 h LYS 44 Cb 0.12 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.45 1ja8 h LYS 44 CO -0.15 0.28 -1.12 -0.92 -0.57 0.00 0.00 179.45 176.97 1ja8 h TYR 45 N 0.00 0.90 -0.23 -1.35 5.03 0.90 -1.90 116.97 120.32 1ja8 h TYR 45 Ca -0.00 -0.53 -0.05 0.00 2.58 0.00 0.00 58.73 60.72 1ja8 h TYR 45 Cb 0.64 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 1ja8 h TYR 45 CO 0.00 1.37 -0.10 0.37 -1.32 0.00 0.00 178.16 178.48 1ja8 h GLN 46 N 0.29 0.37 -0.13 1.82 5.75 -0.40 0.54 115.11 123.34 1ja8 h GLN 46 Ca -0.14 -0.09 -0.09 0.00 -0.15 0.00 0.00 58.65 58.18 1ja8 h GLN 46 Cb 1.78 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 30.28 1ja8 h GLN 46 CO 0.21 0.48 -0.28 0.93 -2.65 0.00 0.00 178.83 177.52 1ja8 h GLU 47 N 0.35 0.41 -0.71 1.69 5.08 -1.45 -1.19 114.58 118.77 1ja8 h GLU 47 Ca 0.07 -0.27 -0.03 0.00 -1.00 0.00 0.00 59.36 58.12 1ja8 h GLU 47 Cb 0.39 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.65 1ja8 h GLU 47 CO 0.02 0.88 0.32 0.00 -1.00 0.00 0.00 179.01 179.23 1ja8 h ALA 48 N 0.53 0.92 -0.05 3.43 0.00 -0.99 -1.77 119.26 121.34 1ja8 h ALA 48 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1ja8 h ALA 48 Cb 0.88 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ja8 h ALA 48 CO 0.06 0.51 0.02 1.25 0.00 0.00 0.00 179.25 181.09 1ja8 h LEU 49 N 1.01 0.06 -0.50 0.00 5.85 -0.89 0.48 115.31 121.33 1ja8 h LEU 49 Ca 0.24 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.91 1ja8 h LEU 49 Cb 0.15 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.09 1ja8 h LEU 49 CO -0.03 0.19 0.07 0.00 -0.34 0.00 0.00 178.44 178.33 1ja8 h ALA 50 N 0.87 0.53 0.00 1.25 0.00 -0.96 0.28 119.26 121.24 1ja8 h ALA 50 Ca 0.02 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.04 1ja8 h ALA 50 Cb 0.15 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1ja8 h ALA 50 CO -0.00 -0.34 0.00 1.63 0.00 0.00 0.00 179.25 180.54 1ja8 n LYS 51 N -5.15 0.25 -2.33 0.00 5.02 -0.69 -4.87 118.16 110.39 1ja8 n LYS 51 Ca 0.05 0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.28 1ja8 n LYS 51 Cb 0.25 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.76 1ja8 n LYS 51 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ja8 n GLY 52 N 0.91 -0.11 3.47 0.72 0.00 0.99 -4.93 105.19 106.24 1ja8 n GLY 52 Ca 0.10 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.34 1ja8 n GLY 52 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1ja8 s ASP 53 N -2.53 6.42 0.12 1.61 3.68 0.15 -4.86 116.67 121.26 1ja8 s ASP 53 Ca 0.04 -1.49 -0.15 0.00 2.13 0.00 0.00 52.55 53.08 1ja8 s ASP 53 Cb -0.02 -2.44 -0.02 0.00 -1.45 0.00 0.00 42.92 38.99 1ja8 s ASP 53 CO 0.05 -1.31 1.59 0.58 0.13 0.00 0.00 175.17 176.21 1ja8 h VAL 54 N 6.03 1.25 -0.48 1.11 2.07 -1.92 -2.36 116.25 121.95 1ja8 h VAL 54 Ca -0.03 -0.91 0.09 0.00 0.82 0.00 0.00 66.70 66.67 1ja8 h VAL 54 Cb 1.04 1.08 -0.07 0.00 -1.52 0.00 0.00 31.29 31.82 1ja8 h VAL 54 CO 1.19 0.31 0.07 0.74 0.02 0.00 0.00 177.57 179.89 1ja8 h THR 55 N 0.50 0.69 -0.64 2.57 2.02 -1.97 0.37 112.91 116.45 1ja8 h THR 55 Ca 0.12 -0.07 -0.06 0.00 0.77 0.00 0.00 66.41 67.17 1ja8 h THR 55 Cb 0.40 0.49 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1ja8 h THR 55 CO 0.01 0.03 0.16 0.00 0.37 0.00 0.00 175.52 176.10 1ja8 h ALA 56 N 1.39 1.09 -0.58 6.16 0.00 -1.92 -1.00 119.26 124.41 1ja8 h ALA 56 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1ja8 h ALA 56 Cb 0.34 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1ja8 h ALA 56 CO -0.34 0.61 0.18 1.96 0.00 0.00 0.00 179.25 181.66 1ja8 h GLN 57 N 0.95 0.89 -0.27 0.00 4.20 -0.74 -1.98 115.11 118.16 1ja8 h GLN 57 Ca 0.20 -0.19 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1ja8 h GLN 57 Cb 0.32 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 1ja8 h GLN 57 CO -0.00 0.80 0.02 0.82 -0.67 0.00 0.00 178.83 179.80 1ja8 h ILE 58 N 0.81 1.24 -0.01 2.54 2.04 -0.61 -2.80 117.51 120.72 1ja8 h ILE 58 Ca 0.19 -0.85 0.00 0.00 1.00 0.00 0.00 64.86 65.20 1ja8 h ILE 58 Cb 0.28 1.28 -0.00 0.00 -0.74 0.00 0.00 36.82 37.64 1ja8 h ILE 58 CO -0.01 0.27 0.01 0.00 0.00 0.00 0.00 178.15 178.43 1ja8 h ALA 59 N 0.84 1.75 -0.00 1.87 0.00 -1.02 -1.49 119.26 121.20 1ja8 h ALA 59 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1ja8 h ALA 59 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1ja8 h ALA 59 CO 0.01 -0.02 -0.11 1.28 0.00 0.00 0.00 179.25 180.42 1ja8 n LEU 60 N -4.15 0.44 -0.11 0.00 4.77 -0.76 -4.25 117.00 112.94 1ja8 n LEU 60 Ca -0.03 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 1ja8 n LEU 60 Cb 0.10 -0.19 -0.01 0.00 -2.33 0.00 0.00 43.42 40.98 1ja8 n LEU 60 CO 0.30 0.08 0.93 1.56 -1.33 0.00 0.00 177.39 178.94 1ja8 h GLN 61 N 0.52 0.50 -0.23 3.23 4.20 -1.18 -1.56 115.11 120.59 1ja8 h GLN 61 Ca 0.00 -0.08 0.05 0.00 0.06 0.00 0.00 58.65 58.68 1ja8 h GLN 61 Cb 0.35 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 28.00 1ja8 h GLN 61 CO 0.00 0.46 -0.07 -1.35 -0.67 0.00 0.00 178.83 177.20 1ja8 h PRO 62 N 0.43 -0.02 -0.82 1.46 0.11 -1.78 0.22 132.00 131.60 1ja8 h PRO 62 Ca 0.12 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.21 1ja8 h PRO 62 Cb 0.12 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.20 1ja8 h PRO 62 CO -0.01 -0.01 0.42 0.00 -0.21 0.00 0.00 178.00 178.19 1ja8 h ALA 63 N 1.21 1.19 -0.20 -0.75 0.00 -1.81 -0.84 119.26 118.07 1ja8 h ALA 63 Ca 0.12 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1ja8 h ALA 63 Cb 0.19 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1ja8 h ALA 63 CO -0.25 0.63 -0.09 1.25 0.00 0.00 0.00 179.25 180.79 1ja8 h LEU 64 N 1.16 0.42 -0.30 0.00 7.12 -0.48 -1.04 115.31 122.19 1ja8 h LEU 64 Ca 0.29 -0.41 -0.08 0.00 0.13 0.00 0.00 57.88 57.81 1ja8 h LEU 64 Cb 0.07 -0.12 -0.01 0.00 -0.53 0.00 0.00 40.66 40.08 1ja8 h LEU 64 CO -0.04 0.74 -0.12 0.50 -0.13 0.00 0.00 178.44 179.39 1ja8 h LYS 65 N 0.11 0.62 0.57 1.25 3.64 -0.48 0.25 116.57 122.53 1ja8 h LYS 65 Ca 0.04 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 1ja8 h LYS 65 Cb 0.57 -0.02 0.01 0.00 -0.41 0.00 0.00 32.23 32.38 1ja8 h LYS 65 CO 0.03 0.83 -0.27 0.35 -2.27 0.00 0.00 179.45 178.12 1ja8 h PHE 66 N 0.38 -0.71 -0.23 1.91 3.04 -1.15 0.48 116.94 120.65 1ja8 h PHE 66 Ca 0.07 -0.02 -0.19 0.00 3.98 0.00 0.00 57.97 61.81 1ja8 h PHE 66 Cb 0.63 0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.38 1ja8 h PHE 66 CO 0.06 -0.40 -0.61 -0.91 -2.02 0.00 0.00 178.31 174.43 1ja8 h ASN 67 N -0.88 0.90 -0.10 0.41 4.21 -1.27 0.25 115.58 119.09 1ja8 h ASN 67 Ca -0.08 -0.51 -0.01 0.00 1.21 0.00 0.00 56.30 56.91 1ja8 h ASN 67 Cb 0.63 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.56 1ja8 h ASN 67 CO 0.13 1.30 0.03 1.23 -1.29 0.00 0.00 177.43 178.83 1ja8 h GLY 68 N 0.74 0.17 1.00 2.83 0.00 -0.52 -1.25 103.07 106.04 1ja8 h GLY 68 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1ja8 h GLY 68 CO 0.13 0.10 0.33 -1.33 0.00 0.00 0.00 176.54 175.77 1ja8 h GLY 69 N -0.02 1.01 0.59 4.60 0.00 -0.05 -1.06 103.07 108.14 1ja8 h GLY 69 Ca 0.03 -0.49 0.08 0.00 0.00 0.00 0.00 47.33 46.96 1ja8 h GLY 69 CO -0.00 0.46 0.49 -1.33 0.00 0.00 0.00 176.54 176.16 1ja8 h GLY 70 N 0.91 1.27 1.09 4.60 0.00 -0.76 0.31 103.07 110.50 1ja8 h GLY 70 Ca 0.23 -0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.11 1ja8 h GLY 70 CO -0.03 0.17 -0.09 0.84 0.00 0.00 0.00 176.54 177.43 1ja8 h HIS 71 N 0.84 1.16 0.22 5.60 6.17 -0.66 -1.89 115.15 126.60 1ja8 h HIS 71 Ca 0.39 -0.23 -0.01 0.00 0.71 0.00 0.00 60.37 61.22 1ja8 h HIS 71 Cb 0.30 -0.29 0.00 0.00 2.52 0.00 0.00 27.41 29.94 1ja8 h HIS 71 CO -0.05 1.06 -0.10 0.82 0.71 0.00 0.00 177.93 180.37 1ja8 h ILE 72 N 0.93 0.86 0.21 6.26 2.04 -0.37 -2.64 117.51 124.81 1ja8 h ILE 72 Ca 0.15 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1ja8 h ILE 72 Cb 0.66 1.22 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1ja8 h ILE 72 CO 0.05 0.14 -0.15 0.78 0.00 0.00 0.00 178.15 178.96 1ja8 h ASN 73 N -0.62 -0.39 -0.17 1.72 2.35 -0.39 -2.57 115.58 115.52 1ja8 h ASN 73 Ca -0.03 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.68 1ja8 h ASN 73 Cb 0.45 0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 1ja8 h ASN 73 CO 0.05 -0.24 -0.09 0.45 -1.65 0.00 0.00 177.43 175.95 1ja8 h HIS 74 N -0.37 0.54 -0.48 1.19 3.86 -1.46 0.36 115.15 118.79 1ja8 h HIS 74 Ca -0.01 -0.07 -0.02 0.00 -1.16 0.00 0.00 60.37 59.10 1ja8 h HIS 74 Cb 0.32 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 1ja8 h HIS 74 CO -0.10 0.58 0.19 0.77 0.86 0.00 0.00 177.93 180.24 1ja8 h SER 75 N 0.47 0.61 0.13 2.45 0.02 -1.33 -0.85 113.55 115.05 1ja8 h SER 75 Ca 0.09 -0.07 -0.23 0.00 -0.84 0.00 0.00 61.79 60.74 1ja8 h SER 75 Cb 0.44 -0.16 0.03 0.00 0.14 0.00 0.00 62.40 62.85 1ja8 h SER 75 CO 0.02 0.55 -0.99 0.40 -1.14 0.00 0.00 176.83 175.68 1ja8 h ILE 76 N 0.67 1.40 -0.56 3.27 2.04 -0.97 -3.33 117.51 120.04 1ja8 h ILE 76 Ca 0.16 -2.46 0.09 0.00 1.00 0.00 0.00 64.86 63.65 1ja8 h ILE 76 Cb 0.13 2.95 -0.07 0.00 -0.74 0.00 0.00 36.82 39.09 1ja8 h ILE 76 CO -0.02 0.72 0.17 0.15 0.00 0.00 0.00 178.15 179.17 1ja8 h PHE 77 N -0.08 0.29 -0.87 1.37 3.57 0.17 -1.58 116.94 119.81 1ja8 h PHE 77 Ca -0.16 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.44 1ja8 h PHE 77 Cb 1.74 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 40.37 1ja8 h PHE 77 CO 0.16 0.05 0.54 -1.49 -2.23 0.00 0.00 178.31 175.33 1ja8 h TRP 78 N 0.33 0.99 0.00 0.41 -0.00 -1.29 -1.31 115.95 115.08 1ja8 h TRP 78 Ca 0.28 0.03 0.00 0.00 -0.00 0.00 0.00 58.89 59.20 1ja8 h TRP 78 Cb 0.36 -0.32 0.00 0.00 -0.00 0.00 0.00 29.16 29.21 1ja8 h TRP 78 CO -0.19 0.49 0.00 1.79 -0.00 0.00 0.00 178.44 180.52 1ja8 h THR 79 N 0.96 0.00 0.00 1.49 1.35 -1.51 -2.99 112.91 112.22 1ja8 h THR 79 Ca 0.38 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1ja8 h THR 79 Cb 0.20 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 1ja8 h THR 79 CO -0.18 0.00 0.00 0.59 -0.25 0.00 0.00 175.52 175.68 1ja8 n ASN 80 N -2.47 0.00 -4.54 5.36 5.03 -0.50 -4.70 115.26 113.44 1ja8 n ASN 80 Ca 0.05 -0.11 -0.24 0.00 0.87 0.00 0.00 54.58 55.15 1ja8 n ASN 80 Cb 0.42 -0.29 -0.09 0.00 -1.02 0.00 0.00 39.78 38.81 1ja8 n ASN 80 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ja8 s LEU 81 N -2.57 2.84 -0.28 3.41 1.43 -1.13 0.41 118.68 122.78 1ja8 s LEU 81 Ca 0.27 -0.88 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 1ja8 s LEU 81 Cb 0.19 -1.35 0.12 0.00 0.03 0.00 0.00 46.19 45.18 1ja8 s LEU 81 CO 0.43 0.02 0.92 -0.55 0.23 0.00 0.00 176.35 177.40 1ja8 s SER 82 N -3.58 -0.59 0.57 2.29 0.15 0.88 -4.53 113.70 108.89 1ja8 s SER 82 Ca 0.31 1.02 0.27 0.00 0.70 0.00 0.00 55.95 58.25 1ja8 s SER 82 Cb -0.05 1.15 1.52 0.00 -1.71 0.00 0.00 66.02 66.92 1ja8 s SER 82 CO 0.17 -0.17 2.02 1.55 1.20 0.00 0.00 173.24 178.01 1ja8 h PRO 83 N 5.44 0.00 -0.63 5.44 0.13 -1.84 0.51 132.00 141.05 1ja8 h PRO 83 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1ja8 h PRO 83 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1ja8 h PRO 83 CO 0.14 0.00 0.00 0.27 -0.23 0.00 0.00 178.00 178.18 1ja8 n ASN 84 N -3.98 4.96 -3.40 1.44 6.94 -1.26 -4.96 115.26 114.99 1ja8 n ASN 84 Ca 0.06 -2.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.07 1ja8 n ASN 84 Cb 0.49 -0.60 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 1ja8 n ASN 84 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ja8 n GLY 85 N 1.02 -1.11 2.56 4.83 0.00 0.18 -4.98 105.19 107.68 1ja8 n GLY 85 Ca 0.26 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1ja8 n GLY 85 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja8 n GLY 86 N 2.99 -2.40 7.00 -0.02 0.00 0.81 -4.67 105.19 108.89 1ja8 n GLY 86 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1ja8 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ja8 n GLY 87 N -0.23 0.35 3.26 -0.02 0.00 -1.26 -4.77 105.19 102.53 1ja8 n GLY 87 Ca 0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 45.00 1ja8 n GLY 87 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ja8 s GLU 88 N 0.00 1.09 0.93 1.61 2.02 -1.26 -5.05 118.70 118.03 1ja8 s GLU 88 Ca 0.00 -1.33 -0.15 0.00 0.02 0.00 0.00 54.97 53.51 1ja8 s GLU 88 Cb 0.00 -0.92 0.16 0.00 0.10 0.00 0.00 34.13 33.48 1ja8 s GLU 88 CO 0.00 0.16 1.25 -1.25 0.02 0.00 0.00 175.26 175.44 1ja8 s PRO 89 N -2.99 0.98 0.38 0.39 0.04 -1.26 -5.02 135.00 127.52 1ja8 s PRO 89 Ca 0.13 -0.17 0.05 0.00 0.04 0.00 0.00 61.00 61.05 1ja8 s PRO 89 Cb -0.03 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 1ja8 s PRO 89 CO 0.03 -2.22 0.18 0.15 0.04 0.00 0.00 177.00 175.18 1ja8 s LYS 90 N -5.71 1.86 4.52 4.56 1.02 -1.26 -4.64 119.74 120.08 1ja8 s LYS 90 Ca 0.69 -2.11 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1ja8 s LYS 90 Cb -0.07 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.97 1ja8 s LYS 90 CO 0.52 -0.54 0.00 0.41 -0.92 0.00 0.00 175.35 174.82 1ja8 n GLY 91 N -0.80 2.78 0.34 -3.33 0.00 -1.26 -3.30 105.19 99.62 1ja8 n GLY 91 Ca -0.01 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 1ja8 n GLY 91 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ja8 h GLU 92 N 0.00 -0.29 -0.39 1.61 5.08 -1.99 -1.10 114.58 117.51 1ja8 h GLU 92 Ca 0.00 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1ja8 h GLU 92 Cb 0.00 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1ja8 h GLU 92 CO 0.00 -0.19 0.12 1.25 -1.00 0.00 0.00 179.01 179.19 1ja8 h LEU 93 N -0.30 0.11 -1.04 1.33 6.46 -1.94 0.64 115.31 120.58 1ja8 h LEU 93 Ca 0.15 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.97 1ja8 h LEU 93 Cb 0.54 0.04 -0.05 0.00 -0.73 0.00 0.00 40.66 40.47 1ja8 h LEU 93 CO -0.49 0.10 0.65 0.25 -0.62 0.00 0.00 178.44 178.33 1ja8 h LEU 94 N 0.27 1.12 0.17 2.25 5.85 -1.46 -1.07 115.31 122.44 1ja8 h LEU 94 Ca 0.18 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1ja8 h LEU 94 Cb 0.18 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1ja8 h LEU 94 CO -0.20 0.81 -0.08 -0.08 -0.34 0.00 0.00 178.44 178.55 1ja8 h GLU 95 N 1.32 -0.22 -0.94 1.25 4.81 -0.29 -1.68 114.58 118.83 1ja8 h GLU 95 Ca 0.36 0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.68 1ja8 h GLU 95 Cb -0.14 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.22 1ja8 h GLU 95 CO -0.08 -0.04 0.59 0.00 -0.73 0.00 0.00 179.01 178.75 1ja8 h ALA 96 N 0.44 1.32 -0.51 2.92 0.00 -0.62 0.12 119.26 122.93 1ja8 h ALA 96 Ca -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1ja8 h ALA 96 Cb 0.29 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1ja8 h ALA 96 CO 0.04 0.32 0.18 0.82 0.00 0.00 0.00 179.25 180.61 1ja8 h ILE 97 N 1.04 1.20 -0.09 0.00 2.04 -0.91 0.25 117.51 121.04 1ja8 h ILE 97 Ca 0.42 -0.64 -0.11 0.00 1.00 0.00 0.00 64.86 65.53 1ja8 h ILE 97 Cb 0.24 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 36.93 1ja8 h ILE 97 CO -0.19 0.25 -0.37 0.11 0.00 0.00 0.00 178.15 177.95 1ja8 h LYS 98 N 0.74 0.41 -0.23 2.37 1.57 -0.28 -0.49 116.57 120.66 1ja8 h LYS 98 Ca 0.17 -0.32 0.04 0.00 -1.87 0.00 0.00 60.65 58.68 1ja8 h LYS 98 Cb 0.18 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 1ja8 h LYS 98 CO -0.01 0.95 -0.02 -0.09 -0.57 0.00 0.00 179.45 179.70 1ja8 h ARG 99 N -0.04 0.04 0.00 3.15 2.43 -0.36 0.63 114.38 120.23 1ja8 h ARG 99 Ca -0.02 -0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 1ja8 h ARG 99 Cb 1.01 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1ja8 h ARG 99 CO 0.08 0.03 -0.94 -0.44 -1.51 0.00 0.00 179.97 177.19 1ja8 h ASP 100 N 0.04 0.00 0.00 -3.80 3.32 -0.57 -3.39 116.42 112.02 1ja8 h ASP 100 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 1ja8 h ASP 100 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 1ja8 h ASP 100 CO -0.20 0.45 0.00 0.49 -1.72 0.00 0.00 179.24 178.26 1ja8 n PHE 101 N -3.01 0.00 0.00 4.55 3.01 -0.19 -5.02 117.46 116.79 1ja8 n PHE 101 Ca -0.03 -0.32 0.00 0.00 1.01 0.00 0.00 57.45 58.11 1ja8 n PHE 101 Cb 0.75 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 40.19 1ja8 n PHE 101 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1ja8 n GLY 102 N -0.32 2.47 3.84 1.37 0.00 0.21 -4.32 105.19 108.44 1ja8 n GLY 102 Ca 0.00 -0.51 -0.06 0.00 0.00 0.00 0.00 46.02 45.44 1ja8 n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ja8 s SER 103 N 0.00 -0.24 0.14 1.61 1.04 -1.26 -4.71 113.70 110.28 1ja8 s SER 103 Ca 0.00 -0.59 -0.16 0.00 0.48 0.00 0.00 55.95 55.69 1ja8 s SER 103 Cb 0.00 0.69 0.01 0.00 0.10 0.00 0.00 66.02 66.82 1ja8 s SER 103 CO 0.00 -1.29 1.70 0.15 0.98 0.00 0.00 173.24 174.79 1ja8 h PHE 104 N 2.00 0.62 -0.44 5.02 3.57 -1.90 -1.49 116.94 124.32 1ja8 h PHE 104 Ca -0.20 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.28 1ja8 h PHE 104 Cb 1.25 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 1ja8 h PHE 104 CO 0.44 0.52 0.27 0.22 -2.23 0.00 0.00 178.31 177.53 1ja8 h ASP 105 N 0.54 0.44 -0.83 0.41 3.58 -1.97 -0.61 116.42 117.99 1ja8 h ASP 105 Ca 0.14 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.62 1ja8 h ASP 105 Cb 0.15 -0.09 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 1ja8 h ASP 105 CO -0.02 0.31 0.53 0.11 -2.88 0.00 0.00 179.24 177.30 1ja8 h LYS 106 N 0.54 1.02 -0.07 0.28 1.57 -1.78 -2.02 116.57 116.10 1ja8 h LYS 106 Ca 0.17 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.92 1ja8 h LYS 106 Cb -0.00 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.05 1ja8 h LYS 106 CO -0.07 0.67 -0.09 0.35 -0.57 0.00 0.00 179.45 179.74 1ja8 h PHE 107 N 1.05 -0.22 -0.53 -1.35 3.57 -0.38 0.43 116.94 119.50 1ja8 h PHE 107 Ca 0.32 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.94 1ja8 h PHE 107 Cb -0.02 0.11 -0.09 0.00 2.79 0.00 0.00 35.95 38.74 1ja8 h PHE 107 CO -0.02 -0.14 0.01 0.87 -2.23 0.00 0.00 178.31 176.80 1ja8 h LYS 108 N -0.12 0.12 -0.84 1.11 1.57 -0.67 0.13 116.57 117.87 1ja8 h LYS 108 Ca 0.06 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.80 1ja8 h LYS 108 Cb 0.21 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 1ja8 h LYS 108 CO -0.14 0.08 0.39 1.49 -0.57 0.00 0.00 179.45 180.70 1ja8 h GLU 109 N 0.13 1.21 -0.07 3.15 4.81 -0.85 0.44 114.58 123.40 1ja8 h GLU 109 Ca 0.27 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1ja8 h GLU 109 Cb 0.41 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.57 1ja8 h GLU 109 CO -0.44 0.93 0.01 0.87 -0.73 0.00 0.00 179.01 179.65 1ja8 h LYS 110 N 1.19 0.11 -0.24 1.92 1.79 0.55 0.33 116.57 122.23 1ja8 h LYS 110 Ca 0.29 -0.03 -0.11 0.00 -2.18 0.00 0.00 60.65 58.62 1ja8 h LYS 110 Cb 0.13 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.75 1ja8 h LYS 110 CO -0.04 0.33 -0.30 1.25 -1.08 0.00 0.00 179.45 179.62 1ja8 h LEU 111 N -0.13 0.50 0.11 2.94 5.85 -0.62 -2.04 115.31 121.93 1ja8 h LEU 111 Ca 0.02 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.55 1ja8 h LEU 111 Cb 0.27 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1ja8 h LEU 111 CO 0.00 0.78 -0.05 0.74 -0.34 0.00 0.00 178.44 179.57 1ja8 h THR 112 N 0.43 0.99 -0.68 1.05 2.02 0.03 -1.80 112.91 114.95 1ja8 h THR 112 Ca 0.06 -0.40 0.10 0.00 0.77 0.00 0.00 66.41 66.94 1ja8 h THR 112 Cb 0.74 1.25 -0.08 0.00 -1.74 0.00 0.00 68.15 68.32 1ja8 h THR 112 CO 0.06 0.10 0.30 0.00 0.37 0.00 0.00 175.52 176.34 1ja8 h ALA 113 N 0.54 0.93 -0.58 6.16 0.00 -0.79 0.14 119.26 125.65 1ja8 h ALA 113 Ca -0.02 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1ja8 h ALA 113 Cb 0.27 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1ja8 h ALA 113 CO 0.03 -0.13 0.11 0.00 0.00 0.00 0.00 179.25 179.26 1ja8 h ALA 114 N 1.45 1.10 -0.07 0.00 0.00 -1.25 0.38 119.26 120.87 1ja8 h ALA 114 Ca 0.35 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1ja8 h ALA 114 Cb 0.42 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ja8 h ALA 114 CO -0.31 0.59 -0.11 0.77 0.00 0.00 0.00 179.25 180.20 1ja8 h SER 115 N 0.88 0.21 0.33 0.00 0.02 -0.40 -3.05 113.55 111.54 1ja8 h SER 115 Ca 0.18 -0.55 -0.07 0.00 -0.84 0.00 0.00 61.79 60.52 1ja8 h SER 115 Cb 0.36 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1ja8 h SER 115 CO 0.01 0.71 -0.34 0.58 -1.14 0.00 0.00 176.83 176.65 1ja8 h VAL 116 N -0.29 1.25 0.00 2.27 2.07 -0.69 -2.78 116.25 118.08 1ja8 h VAL 116 Ca 0.00 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.35 1ja8 h VAL 116 Cb 0.67 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1ja8 h VAL 116 CO 0.02 0.34 0.00 1.23 0.02 0.00 0.00 177.57 179.18 1ja8 h GLY 117 N 1.03 0.00 -5.41 2.17 0.00 -0.14 -3.44 103.07 97.29 1ja8 h GLY 117 Ca -0.00 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.78 1ja8 h GLY 117 CO 0.04 0.00 1.13 0.14 0.00 0.00 0.00 176.54 177.86 1ja8 s VAL 118 N -3.57 3.47 -0.33 4.60 1.01 -1.05 -4.96 120.40 119.57 1ja8 s VAL 118 Ca 0.01 0.56 -0.18 0.00 0.00 0.00 0.00 61.98 62.37 1ja8 s VAL 118 Cb 0.09 -3.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1ja8 s VAL 118 CO 0.41 -0.07 0.54 -1.10 0.00 0.00 0.00 175.10 174.88 1ja8 s GLN 119 N 4.25 3.72 0.24 2.72 -0.21 -1.26 -4.85 119.66 124.27 1ja8 s GLN 119 Ca 0.77 -0.03 0.00 0.00 0.02 0.00 0.00 55.36 56.12 1ja8 s GLN 119 Cb -0.34 -3.78 0.00 0.00 1.00 0.00 0.00 33.01 29.89 1ja8 s GLN 119 CO 0.32 -0.61 0.00 0.41 -2.12 0.00 0.00 175.29 173.29 1ja8 n GLY 120 N 4.70 -1.81 3.85 3.09 0.00 -1.26 -4.94 105.19 108.82 1ja8 n GLY 120 Ca -0.04 -1.92 -0.32 0.00 0.00 0.00 0.00 46.02 43.75 1ja8 n GLY 120 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ja8 s SER 121 N -4.00 6.63 0.00 1.61 0.01 -1.26 -4.83 113.70 111.86 1ja8 s SER 121 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1ja8 s SER 121 Cb 0.00 -2.43 0.00 0.00 0.21 0.00 0.00 66.02 63.80 1ja8 s SER 121 CO 0.00 -0.46 0.00 0.61 0.41 0.00 0.00 173.24 173.80 1ja8 n GLY 122 N -1.29 -1.24 2.95 3.44 0.00 -1.25 -1.04 105.19 106.77 1ja8 n GLY 122 Ca 0.05 -0.98 -0.11 0.00 0.00 0.00 0.00 46.02 44.99 1ja8 n GLY 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ja8 s TRP 123 N -3.00 0.23 -0.13 1.61 0.52 0.60 -1.12 118.94 117.65 1ja8 s TRP 123 Ca 0.00 -0.35 -0.02 0.00 0.02 0.00 0.00 56.10 55.75 1ja8 s TRP 123 Cb 0.00 -0.16 -0.03 0.00 -1.15 0.00 0.00 33.47 32.14 1ja8 s TRP 123 CO 0.00 -0.11 -0.05 0.20 0.02 0.00 0.00 176.95 177.00 1ja8 s GLY 124 N -0.96 1.70 0.05 0.98 0.00 -0.38 -0.58 107.32 108.13 1ja8 s GLY 124 Ca -0.10 -0.84 0.05 0.00 0.00 0.00 0.00 44.72 43.83 1ja8 s GLY 124 CO -0.01 -0.26 -0.14 -0.98 0.00 0.00 0.00 173.10 171.71 1ja8 s TRP 125 N -0.00 1.21 -0.29 1.90 0.52 0.16 -0.62 118.94 121.81 1ja8 s TRP 125 Ca 0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 56.10 55.66 1ja8 s TRP 125 Cb -0.13 -0.70 0.01 0.00 -1.15 0.00 0.00 33.47 31.50 1ja8 s TRP 125 CO 0.03 0.04 0.06 -1.17 0.02 0.00 0.00 176.95 175.94 1ja8 s LEU 126 N -1.41 3.80 0.46 2.99 2.96 0.11 -1.61 118.68 125.99 1ja8 s LEU 126 Ca -0.00 -0.76 0.02 0.00 -0.22 0.00 0.00 54.13 53.17 1ja8 s LEU 126 Cb -0.09 -1.85 -0.02 0.00 0.50 0.00 0.00 46.19 44.73 1ja8 s LEU 126 CO 0.02 -0.19 0.06 -0.83 -1.32 0.00 0.00 176.35 174.09 1ja8 s GLY 127 N 1.47 2.83 -0.13 7.98 0.00 0.64 -0.89 107.32 119.22 1ja8 s GLY 127 Ca 0.02 -0.80 0.02 0.00 0.00 0.00 0.00 44.72 43.96 1ja8 s GLY 127 CO 0.02 -2.02 -0.20 -0.12 0.00 0.00 0.00 173.10 170.77 1ja8 s PHE 128 N -3.03 2.48 -0.50 1.90 5.36 0.52 -1.21 117.98 123.49 1ja8 s PHE 128 Ca 0.15 -1.23 -0.23 0.00 -0.96 0.00 0.00 56.93 54.65 1ja8 s PHE 128 Cb 0.02 -1.71 0.04 0.00 -0.34 0.00 0.00 43.02 41.03 1ja8 s PHE 128 CO 0.09 -0.58 0.82 1.21 -1.46 0.00 0.00 175.22 175.30 1ja8 s ASN 129 N 0.87 6.34 0.19 6.13 3.84 0.47 -1.43 114.94 131.35 1ja8 s ASN 129 Ca -0.07 -0.37 -0.10 0.00 0.21 0.00 0.00 52.86 52.53 1ja8 s ASN 129 Cb -0.15 -2.39 0.11 0.00 -0.55 0.00 0.00 41.25 38.27 1ja8 s ASN 129 CO -0.02 -1.04 1.74 0.11 -2.79 0.00 0.00 177.10 175.10 1ja8 h LYS 130 N 9.12 1.03 0.30 0.43 1.57 -1.86 0.27 116.57 127.43 1ja8 h LYS 130 Ca -0.26 -0.20 -0.01 0.00 -1.87 0.00 0.00 60.65 58.31 1ja8 h LYS 130 Cb 1.08 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1ja8 h LYS 130 CO 1.01 0.87 -0.14 1.49 -0.57 0.00 0.00 179.45 182.11 1ja8 h GLU 131 N 0.97 -0.39 0.00 3.15 4.81 -1.96 -3.12 114.58 118.04 1ja8 h GLU 131 Ca 0.22 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 1ja8 h GLU 131 Cb 0.24 0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.71 1ja8 h GLU 131 CO -0.01 -0.10 0.00 0.54 -0.73 0.00 0.00 179.01 178.71 1ja8 n ARG 132 N -5.15 0.20 -3.19 1.92 5.12 -1.23 -4.94 116.66 109.39 1ja8 n ARG 132 Ca -0.10 0.27 -0.19 0.00 -1.93 0.00 0.00 57.85 55.90 1ja8 n ARG 132 Cb 0.25 -1.78 0.05 0.00 -1.16 0.00 0.00 32.46 29.82 1ja8 n ARG 132 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ja8 n GLY 133 N 0.82 -0.24 3.44 -0.13 0.00 0.92 -5.01 105.19 104.99 1ja8 n GLY 133 Ca 0.04 0.02 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 1ja8 n GLY 133 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 1ja8 s HIS 134 N -3.18 0.56 0.64 1.61 -3.43 -1.01 -4.98 115.29 105.51 1ja8 s HIS 134 Ca 0.39 -0.89 -0.13 0.00 -0.80 0.00 0.00 55.06 53.63 1ja8 s HIS 134 Cb -0.17 -0.04 -0.01 0.00 -1.43 0.00 0.00 32.58 30.92 1ja8 s HIS 134 CO 0.48 -0.85 1.06 -0.51 -2.00 0.00 0.00 174.74 172.91 1ja8 s LEU 135 N -3.04 3.31 -0.20 5.38 1.43 -1.26 -0.39 118.68 123.91 1ja8 s LEU 135 Ca 0.25 1.71 -0.25 0.00 -1.03 0.00 0.00 54.13 54.81 1ja8 s LEU 135 Cb 0.02 -4.51 0.07 0.00 0.03 0.00 0.00 46.19 41.79 1ja8 s LEU 135 CO 0.08 -1.29 0.66 -1.58 0.23 0.00 0.00 176.35 174.45 1ja8 s GLN 136 N -4.57 0.85 -0.06 1.70 0.74 -0.35 -4.78 119.66 113.19 1ja8 s GLN 136 Ca 0.61 0.75 -0.03 0.00 0.05 0.00 0.00 55.36 56.74 1ja8 s GLN 136 Cb -0.15 0.41 -0.04 0.00 1.10 0.00 0.00 33.01 34.33 1ja8 s GLN 136 CO 0.46 -0.15 0.09 0.42 -0.55 0.00 0.00 175.29 175.56 1ja8 s ILE 137 N -0.05 4.92 -0.02 -2.34 1.01 -1.26 -0.26 121.20 123.20 1ja8 s ILE 137 Ca -0.03 -0.18 -0.23 0.00 0.00 0.00 0.00 60.65 60.21 1ja8 s ILE 137 Cb -0.04 -3.18 0.05 0.00 0.01 0.00 0.00 42.46 39.30 1ja8 s ILE 137 CO 0.03 0.48 0.51 0.00 0.00 0.00 0.00 174.94 175.96 1ja8 s ALA 138 N -1.09 -1.31 -0.07 9.38 0.00 -0.63 -4.98 121.76 123.07 1ja8 s ALA 138 Ca 0.19 0.81 0.04 0.00 0.00 0.00 0.00 51.96 53.00 1ja8 s ALA 138 Cb -0.12 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 1ja8 s ALA 138 CO 0.09 -0.35 -0.18 0.00 0.00 0.00 0.00 175.76 175.33 1ja8 s ALA 139 N -1.45 2.49 -0.03 0.00 0.00 -1.26 0.36 121.76 121.87 1ja8 s ALA 139 Ca -0.11 -0.99 0.07 0.00 0.00 0.00 0.00 51.96 50.93 1ja8 s ALA 139 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 1ja8 s ALA 139 CO 0.06 0.45 -0.25 0.00 0.00 0.00 0.00 175.76 176.02 1ja8 s PRO 141 N -0.47 3.86 2.70 0.00 0.04 -1.26 -0.29 135.00 139.58 1ja8 s PRO 141 Ca 0.06 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.18 1ja8 s PRO 141 Cb -0.11 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1ja8 s PRO 141 CO 0.00 -0.35 0.00 0.09 0.04 0.00 0.00 177.00 176.79 1ja8 n ASN 142 N -1.41 0.00 -0.60 6.66 3.02 -0.21 -1.42 115.26 121.30 1ja8 n ASN 142 Ca 0.07 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.68 1ja8 n ASN 142 Cb 0.54 0.00 0.15 0.00 -0.61 0.00 0.00 39.78 39.86 1ja8 n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1ja8 n GLN 143 N 14.00 2.88 -1.69 3.52 1.13 -1.26 -3.97 117.38 131.99 1ja8 n GLN 143 Ca 0.00 -2.09 -0.53 0.00 -1.94 0.00 0.00 57.00 52.45 1ja8 n GLN 143 Cb 0.00 -1.31 -0.06 0.00 0.11 0.00 0.00 30.24 28.99 1ja8 n GLN 143 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1ja8 n ASP 144 N 0.30 2.83 -4.77 1.08 10.43 -0.51 -3.65 116.55 122.25 1ja8 n ASP 144 Ca 0.12 1.04 -0.37 0.00 2.57 0.00 0.00 54.79 58.14 1ja8 n ASP 144 Cb 0.46 -1.26 -0.02 0.00 1.84 0.00 0.00 41.12 42.14 1ja8 n ASP 144 CO 0.00 0.00 0.00 -2.16 -1.07 0.00 0.00 177.20 173.97 1ja8 s PRO 145 N 3.37 3.98 0.03 -0.24 0.04 -1.26 -4.70 135.00 136.22 1ja8 s PRO 145 Ca 0.94 1.68 -0.19 0.00 0.04 0.00 0.00 61.00 63.47 1ja8 s PRO 145 Cb -0.88 -2.51 -0.10 0.00 0.04 0.00 0.00 34.50 31.04 1ja8 s PRO 145 CO 0.57 -0.34 1.27 1.25 0.04 0.00 0.00 177.00 179.79 1ja8 h LEU 146 N 2.35 -0.58 -0.68 -3.56 5.85 -1.90 -2.55 115.31 114.24 1ja8 h LEU 146 Ca -0.49 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1ja8 h LEU 146 Cb 1.23 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.36 1ja8 h LEU 146 CO 0.61 -0.41 0.40 -0.61 -0.34 0.00 0.00 178.44 178.10 1ja8 h GLN 147 N -0.69 0.74 -0.50 1.25 4.15 -1.84 0.16 115.11 118.40 1ja8 h GLN 147 Ca -0.07 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.29 1ja8 h GLN 147 Cb 0.52 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 1ja8 h GLN 147 CO 0.11 0.49 0.25 0.78 -1.93 0.00 0.00 178.83 178.54 1ja8 h GLY 148 N 0.77 0.73 0.00 2.39 0.00 -1.86 -1.36 103.07 103.73 1ja8 h GLY 148 Ca 0.29 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.30 1ja8 h GLY 148 CO -0.14 0.31 -0.76 -1.30 0.00 0.00 0.00 176.54 174.64 1ja8 n THR 149 N -4.39 0.00 0.00 4.70 -2.24 -0.96 -4.70 114.28 106.68 1ja8 n THR 149 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1ja8 n THR 149 Cb 0.11 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 1ja8 n THR 149 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ja8 n THR 150 N -1.39 0.00 0.00 4.28 -2.24 0.53 -5.02 114.28 110.44 1ja8 n THR 150 Ca 0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1ja8 n THR 150 Cb 0.24 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1ja8 n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ja8 n GLY 151 N 1.99 2.18 3.77 3.38 0.00 -0.52 -5.00 105.19 110.99 1ja8 n GLY 151 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ja8 n GLY 151 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ja8 s LEU 152 N 0.00 4.25 -0.26 0.99 1.43 -1.26 -4.78 118.68 119.06 1ja8 s LEU 152 Ca 0.00 2.38 -0.24 0.00 -1.03 0.00 0.00 54.13 55.24 1ja8 s LEU 152 Cb 0.00 -3.95 -0.00 0.00 0.03 0.00 0.00 46.19 42.27 1ja8 s LEU 152 CO 0.00 -0.62 0.81 -0.63 0.23 0.00 0.00 176.35 176.14 1ja8 s ILE 153 N -1.36 4.83 0.21 -0.59 -1.09 -0.51 -2.64 121.20 120.05 1ja8 s ILE 153 Ca 0.55 1.47 -0.31 0.00 -2.23 0.00 0.00 60.65 60.14 1ja8 s ILE 153 Cb -0.32 -4.11 -0.10 0.00 -1.58 0.00 0.00 42.46 36.35 1ja8 s ILE 153 CO 0.41 -0.10 1.51 -2.16 -1.23 0.00 0.00 174.94 173.37 1ja8 s PRO 154 N 2.85 4.23 -0.05 2.79 0.04 -1.26 -0.36 135.00 143.24 1ja8 s PRO 154 Ca 0.34 2.35 -0.04 0.00 0.04 0.00 0.00 61.00 63.69 1ja8 s PRO 154 Cb -0.15 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.23 1ja8 s PRO 154 CO 0.08 -0.53 -0.09 1.28 0.04 0.00 0.00 177.00 177.78 1ja8 n LEU 155 N 3.16 0.69 -3.76 -3.56 4.77 -0.07 -4.90 117.00 113.33 1ja8 n LEU 155 Ca 0.10 0.11 -0.17 0.00 -0.03 0.00 0.00 56.01 56.02 1ja8 n LEU 155 Cb 0.39 -0.26 -0.17 0.00 -2.33 0.00 0.00 43.42 41.05 1ja8 n LEU 155 CO 0.61 -0.02 -0.36 -0.22 -1.33 0.00 0.00 177.39 176.07 1ja8 s LEU 156 N -6.58 0.84 0.05 2.23 2.96 -0.79 -4.58 118.68 112.81 1ja8 s LEU 156 Ca -0.10 0.02 0.09 0.00 -0.22 0.00 0.00 54.13 53.93 1ja8 s LEU 156 Cb 0.03 -0.16 -0.03 0.00 0.50 0.00 0.00 46.19 46.53 1ja8 s LEU 156 CO 0.12 -0.16 -0.25 -0.83 -1.32 0.00 0.00 176.35 173.92 1ja8 s GLY 157 N 1.39 1.45 -0.17 7.98 0.00 -1.26 -0.71 107.32 115.99 1ja8 s GLY 157 Ca -0.05 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.39 1ja8 s GLY 157 CO -0.03 -1.17 -0.09 -0.42 0.00 0.00 0.00 173.10 171.39 1ja8 s ILE 158 N -0.85 1.38 -0.10 0.90 1.01 0.21 -4.87 121.20 118.88 1ja8 s ILE 158 Ca 0.12 -0.76 -0.30 0.00 0.00 0.00 0.00 60.65 59.72 1ja8 s ILE 158 Cb -0.10 -1.47 -0.02 0.00 0.01 0.00 0.00 42.46 40.88 1ja8 s ILE 158 CO 0.03 0.20 1.08 -0.62 0.00 0.00 0.00 174.94 175.63 1ja8 s ASP 159 N 1.52 7.16 -0.09 3.58 3.68 -1.26 -1.25 116.67 130.02 1ja8 s ASP 159 Ca 0.01 1.61 0.12 0.00 2.13 0.00 0.00 52.55 56.42 1ja8 s ASP 159 Cb -0.15 -2.55 0.28 0.00 -1.45 0.00 0.00 42.92 39.04 1ja8 s ASP 159 CO -0.08 -0.52 1.20 1.33 0.13 0.00 0.00 175.17 177.22 1ja8 n VAL 160 N 4.67 1.61 -2.07 1.11 0.24 -0.28 -4.86 118.33 118.75 1ja8 n VAL 160 Ca 0.10 -1.64 -0.36 0.00 -2.04 0.00 0.00 64.34 60.40 1ja8 n VAL 160 Cb 0.48 0.07 0.02 0.00 -1.47 0.00 0.00 33.84 32.94 1ja8 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ja8 s ALA 161 N -2.08 2.63 0.46 2.33 0.00 -1.22 -4.44 121.76 119.45 1ja8 s ALA 161 Ca 0.25 0.99 0.25 0.00 0.00 0.00 0.00 51.96 53.45 1ja8 s ALA 161 Cb 0.20 -3.43 1.44 0.00 0.00 0.00 0.00 23.12 21.32 1ja8 s ALA 161 CO 0.06 -1.05 2.10 0.93 0.00 0.00 0.00 175.76 177.79 1ja8 h GLU 162 N 1.10 0.00 0.00 0.00 5.08 -1.94 -1.72 114.58 117.10 1ja8 h GLU 162 Ca -0.50 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ja8 h GLU 162 Cb 1.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.54 1ja8 h GLU 162 CO 0.56 0.11 0.00 -2.39 -1.00 0.00 0.00 179.01 176.29 1ja8 n HIS 163 N -3.82 0.52 1.16 4.33 1.44 -1.26 0.07 115.22 117.66 1ja8 n HIS 163 Ca -0.02 0.22 0.13 0.00 -2.01 0.00 0.00 57.72 56.04 1ja8 n HIS 163 Cb 0.20 -0.85 0.48 0.00 0.12 0.00 0.00 29.99 29.95 1ja8 n HIS 163 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ja8 n ALA 164 N -1.68 2.93 -0.51 1.59 0.00 -0.64 -4.61 120.51 117.59 1ja8 n ALA 164 Ca 0.02 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.20 1ja8 n ALA 164 Cb 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.34 1ja8 n ALA 164 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ja8 n TYR 165 N -1.23 0.00 -0.28 0.00 4.11 -0.84 -4.99 117.16 113.92 1ja8 n TYR 165 Ca 0.10 0.00 0.07 0.00 -0.00 0.00 0.00 57.90 58.07 1ja8 n TYR 165 Cb 0.32 0.00 0.30 0.00 -0.00 0.00 0.00 39.34 39.96 1ja8 n TYR 165 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.86 175.94 1ja8 h TYR 166 N 0.00 0.95 -0.16 -3.48 3.20 -0.58 0.18 116.97 117.08 1ja8 h TYR 166 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.86 1ja8 h TYR 166 Cb 0.00 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.95 1ja8 h TYR 166 CO 0.00 0.44 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.81 1ja8 h LEU 167 N 0.88 0.23 0.00 2.82 3.38 -1.89 -0.69 115.31 120.03 1ja8 h LEU 167 Ca 0.41 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 58.14 1ja8 h LEU 167 Cb 0.42 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1ja8 h LEU 167 CO -0.18 0.33 -1.50 1.67 0.09 0.00 0.00 178.44 178.86 1ja8 n GLN 168 N -4.33 0.54 -0.09 1.13 7.27 -0.85 -4.64 117.38 116.42 1ja8 n GLN 168 Ca -0.01 0.36 0.12 0.00 0.07 0.00 0.00 57.00 57.54 1ja8 n GLN 168 Cb 0.23 -1.56 0.24 0.00 2.41 0.00 0.00 30.24 31.56 1ja8 n GLN 168 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ja8 n TYR 169 N -4.41 0.24 -2.58 3.69 4.02 0.57 -5.05 117.16 113.64 1ja8 n TYR 169 Ca -0.30 -0.12 0.00 0.00 -0.01 0.00 0.00 57.90 57.47 1ja8 n TYR 169 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 1ja8 n TYR 169 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ja8 n LYS 170 N 1.10 0.00 0.29 -0.72 4.01 -0.27 -1.72 118.16 120.86 1ja8 n LYS 170 Ca 0.17 0.00 0.19 0.00 -0.51 0.00 0.00 58.31 58.16 1ja8 n LYS 170 Cb 0.53 0.00 0.81 0.00 -0.51 0.00 0.00 35.03 35.86 1ja8 n LYS 170 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 1ja8 h ASN 171 N 5.02 0.00 -0.26 4.39 -1.07 -1.93 -3.40 115.58 118.33 1ja8 h ASN 171 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 56.30 55.77 1ja8 h ASN 171 Cb 0.00 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.24 1ja8 h ASN 171 CO 0.00 0.00 2.20 0.52 0.07 0.00 0.00 177.43 180.22 1ja8 n VAL 172 N -3.09 2.61 -0.20 6.14 0.31 -0.70 -4.74 118.33 118.67 1ja8 n VAL 172 Ca -0.00 -2.47 0.08 0.00 -0.01 0.00 0.00 64.34 61.94 1ja8 n VAL 172 Cb 0.25 -2.36 0.37 0.00 -0.91 0.00 0.00 33.84 31.19 1ja8 n VAL 172 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1ja8 h ARG 173 N 7.80 0.69 -0.55 5.55 2.43 -1.81 -1.92 114.38 126.56 1ja8 h ARG 173 Ca 0.42 -0.04 0.08 0.00 -0.81 0.00 0.00 59.98 59.62 1ja8 h ARG 173 Cb 0.76 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 30.12 1ja8 h ARG 173 CO 1.69 0.45 0.37 -1.35 -1.51 0.00 0.00 179.97 179.62 1ja8 h PRO 174 N 0.71 0.42 -0.43 0.20 0.11 -1.96 -0.47 132.00 130.58 1ja8 h PRO 174 Ca 0.34 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.36 1ja8 h PRO 174 Cb 0.41 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 1ja8 h PRO 174 CO -0.12 0.28 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.49 1ja8 h ASP 175 N 0.43 0.67 -0.37 -2.05 3.32 -1.72 -1.28 116.42 115.43 1ja8 h ASP 175 Ca 0.25 -0.15 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1ja8 h ASP 175 Cb 0.42 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 1ja8 h ASP 175 CO -0.07 0.75 0.03 0.22 -1.72 0.00 0.00 179.24 178.45 1ja8 h TYR 176 N 0.66 0.68 -0.38 4.55 -0.00 -1.13 -2.47 116.97 118.89 1ja8 h TYR 176 Ca 0.13 -0.11 -0.04 0.00 -0.00 0.00 0.00 58.73 58.72 1ja8 h TYR 176 Cb 0.42 -0.18 -0.02 0.00 -0.00 0.00 0.00 36.73 36.96 1ja8 h TYR 176 CO 0.02 0.70 0.09 -0.07 -0.00 0.00 0.00 178.16 178.91 1ja8 h LEU 177 N 0.46 0.57 -0.75 2.82 -0.00 -1.09 -0.92 115.31 116.40 1ja8 h LEU 177 Ca 0.11 -0.23 0.08 0.00 -0.00 0.00 0.00 57.88 57.84 1ja8 h LEU 177 Cb 0.41 -0.15 -0.07 0.00 -0.00 0.00 0.00 40.66 40.86 1ja8 h LEU 177 CO 0.01 0.65 0.41 0.50 -0.00 0.00 0.00 178.44 180.02 1ja8 h LYS 178 N 0.46 0.70 -0.09 1.13 3.64 -1.20 -2.92 116.57 118.30 1ja8 h LYS 178 Ca 0.12 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 1ja8 h LYS 178 Cb 0.30 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1ja8 h LYS 178 CO 0.00 0.46 -0.05 0.00 -2.27 0.00 0.00 179.45 177.60 1ja8 h ALA 179 N 1.41 0.13 -0.40 5.00 0.00 -1.17 -3.25 119.26 120.98 1ja8 h ALA 179 Ca 0.35 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1ja8 h ALA 179 Cb 0.30 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1ja8 h ALA 179 CO -0.23 -0.10 0.35 0.97 0.00 0.00 0.00 179.25 180.24 1ja8 h ILE 180 N -0.18 0.58 0.00 0.00 2.10 -0.97 0.11 117.51 119.14 1ja8 h ILE 180 Ca 0.02 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.96 1ja8 h ILE 180 Cb 0.50 0.74 0.00 0.00 -1.09 0.00 0.00 36.82 36.97 1ja8 h ILE 180 CO 0.01 0.00 0.00 -0.50 -1.08 0.00 0.00 178.15 176.58 1ja8 h TRP 181 N 0.00 0.00 0.00 2.19 4.06 -1.58 -1.17 115.95 119.45 1ja8 h TRP 181 Ca 0.19 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.14 1ja8 h TRP 181 Cb 0.88 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.04 1ja8 h TRP 181 CO 0.00 0.00 0.00 -0.91 -3.56 0.00 0.00 178.44 173.97 1ja8 h ASN 182 N 0.00 0.00 0.00 -3.49 2.35 -0.98 -3.29 115.58 110.17 1ja8 h ASN 182 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ja8 h ASN 182 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 1ja8 h ASN 182 CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 1ja8 n VAL 183 N -2.55 0.92 -1.81 2.81 0.24 -0.46 -2.69 118.33 114.78 1ja8 n VAL 183 Ca 0.04 -0.93 -0.42 0.00 -2.04 0.00 0.00 64.34 60.99 1ja8 n VAL 183 Cb 0.38 0.54 -0.02 0.00 -1.47 0.00 0.00 33.84 33.27 1ja8 n VAL 183 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 1ja8 s ILE 184 N -0.92 2.18 -1.08 1.34 -1.09 -1.12 -0.08 121.20 120.44 1ja8 s ILE 184 Ca 0.00 0.15 -0.14 0.00 -2.23 0.00 0.00 60.65 58.43 1ja8 s ILE 184 Cb 0.00 -3.09 0.20 0.00 -1.58 0.00 0.00 42.46 37.98 1ja8 s ILE 184 CO 0.00 0.02 1.21 0.21 -1.23 0.00 0.00 174.94 175.15 1ja8 s ASN 185 N 0.67 7.01 0.38 3.58 3.84 0.17 -0.13 114.94 130.45 1ja8 s ASN 185 Ca 0.66 -2.91 0.27 0.00 0.21 0.00 0.00 52.86 51.08 1ja8 s ASN 185 Cb -0.47 -2.33 1.36 0.00 -0.55 0.00 0.00 41.25 39.26 1ja8 s ASN 185 CO 0.43 -0.68 1.82 -0.50 -2.79 0.00 0.00 177.10 175.38 1ja8 h TRP 186 N 7.46 0.00 -0.26 0.43 4.06 -1.86 -1.30 115.95 124.49 1ja8 h TRP 186 Ca 0.22 0.00 -0.09 0.00 2.06 0.00 0.00 58.89 61.08 1ja8 h TRP 186 Cb 0.93 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 29.08 1ja8 h TRP 186 CO 1.02 0.00 -0.21 1.49 -3.56 0.00 0.00 178.44 177.19 1ja8 h GLU 187 N 0.00 0.60 -0.31 0.49 4.81 -1.96 -0.78 114.58 117.44 1ja8 h GLU 187 Ca 0.00 -0.30 -0.14 0.00 -0.13 0.00 0.00 59.36 58.79 1ja8 h GLU 187 Cb 0.12 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1ja8 h GLU 187 CO 0.00 0.89 -0.38 -0.97 -0.73 0.00 0.00 179.01 177.81 1ja8 h ASN 188 N 0.32 0.76 -0.42 1.04 -0.73 -1.54 -1.90 115.58 113.12 1ja8 h ASN 188 Ca 0.05 -0.34 -0.05 0.00 1.87 0.00 0.00 56.30 57.83 1ja8 h ASN 188 Cb 0.75 -0.21 -0.02 0.00 0.27 0.00 0.00 38.32 39.11 1ja8 h ASN 188 CO 0.05 1.06 0.06 0.58 -0.37 0.00 0.00 177.43 178.82 1ja8 h VAL 189 N 0.59 1.24 -0.85 2.57 2.07 -1.34 -1.04 116.25 119.50 1ja8 h VAL 189 Ca 0.05 -0.89 0.01 0.00 0.82 0.00 0.00 66.70 66.69 1ja8 h VAL 189 Cb 0.92 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 1ja8 h VAL 189 CO 0.08 0.31 0.56 0.74 0.02 0.00 0.00 177.57 179.28 1ja8 h THR 190 N 0.56 1.22 -0.42 2.57 2.02 -1.06 0.02 112.91 117.82 1ja8 h THR 190 Ca 0.13 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1ja8 h THR 190 Cb 0.38 -0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 1ja8 h THR 190 CO 0.01 0.21 0.21 -0.33 0.37 0.00 0.00 175.52 175.99 1ja8 h GLU 191 N 1.15 0.60 -0.71 6.66 5.08 -1.03 0.18 114.58 126.51 1ja8 h GLU 191 Ca 0.31 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1ja8 h GLU 191 Cb -0.13 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 28.98 1ja8 h GLU 191 CO -0.07 0.51 0.24 0.00 -1.00 0.00 0.00 179.01 178.69 1ja8 h ARG 192 N 0.53 1.08 0.31 2.33 3.08 -0.70 -1.13 114.38 119.88 1ja8 h ARG 192 Ca 0.14 -0.21 -0.02 0.00 0.07 0.00 0.00 59.98 59.97 1ja8 h ARG 192 Cb 0.10 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 29.99 1ja8 h ARG 192 CO -0.02 0.90 -0.15 -0.92 -1.07 0.00 0.00 179.97 178.71 1ja8 h TYR 193 N 1.04 -0.39 -0.05 3.04 5.03 -0.58 -2.69 116.97 122.37 1ja8 h TYR 193 Ca 0.23 -0.01 0.01 0.00 2.58 0.00 0.00 58.73 61.54 1ja8 h TYR 193 Cb 0.26 0.13 -0.00 0.00 1.55 0.00 0.00 36.73 38.66 1ja8 h TYR 193 CO 0.02 -0.14 0.04 0.52 -1.32 0.00 0.00 178.16 177.27 1ja8 h MET 194 N -0.56 0.03 -0.66 1.82 2.86 -0.85 -1.61 114.93 115.95 1ja8 h MET 194 Ca -0.04 -0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.51 1ja8 h MET 194 Cb 0.41 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1ja8 h MET 194 CO 0.07 0.02 0.08 0.00 1.06 0.00 0.00 176.91 178.14 1ja8 h ALA 195 N 1.97 0.90 -0.81 6.32 0.00 -0.95 -2.85 119.26 123.84 1ja8 h ALA 195 Ca 0.02 -0.28 -0.66 0.00 0.00 0.00 0.00 54.91 53.99 1ja8 h ALA 195 Cb 0.06 -0.25 -0.23 0.00 0.00 0.00 0.00 17.79 17.37 1ja8 h ALA 195 CO -0.00 0.67 0.81 0.00 0.00 0.00 0.00 179.25 180.73 1ja8 s LYS 197 N -3.08 2.69 0.00 0.00 -0.14 -1.08 -5.00 119.74 113.13 1ja8 s LYS 197 Ca 0.55 -3.15 0.00 0.00 -1.36 0.00 0.00 55.97 52.00 1ja8 s LYS 197 Cb 0.41 -3.62 0.00 0.00 -1.68 0.00 0.00 37.83 32.93 1ja8 s LYS 197 CO -0.33 -1.25 0.00 1.63 -0.76 0.00 0.00 175.35 174.64