#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b00 h LEU 2 N 0.00 -0.16 -1.56 0.00 5.85 -1.21 0.24 115.31 118.47 2b00 h LEU 2 Ca 0.00 0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.88 2b00 h LEU 2 Cb 0.00 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.33 2b00 h LEU 2 CO 0.00 -0.17 -0.17 4.11 -0.34 0.00 0.00 178.44 181.87 2b00 h TRP 3 N 0.16 0.07 -0.01 1.25 5.08 -2.00 -1.73 115.95 118.78 2b00 h TRP 3 Ca 0.49 -0.01 -0.20 0.00 1.08 0.00 0.00 58.89 60.26 2b00 h TRP 3 Cb 0.95 -0.02 -0.01 0.00 -3.00 0.00 0.00 29.16 27.08 2b00 h TRP 3 CO -0.34 0.24 -0.86 1.96 -1.28 0.00 0.00 178.44 178.16 2b00 h GLN 4 N 0.06 0.23 -0.55 0.12 4.20 -0.99 -2.26 115.11 115.93 2b00 h GLN 4 Ca 0.01 -0.24 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 2b00 h GLN 4 Cb 0.34 0.07 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2b00 h GLN 4 CO 0.02 0.96 0.24 0.35 -0.67 0.00 0.00 178.83 179.73 2b00 h PHE 5 N 0.14 0.82 -0.70 2.96 3.57 -0.51 0.10 116.94 123.33 2b00 h PHE 5 Ca -0.04 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 2b00 h PHE 5 Cb 1.47 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.93 2b00 h PHE 5 CO 0.03 0.66 0.36 0.00 -2.23 0.00 0.00 178.31 177.13 2b00 h ARG 6 N 0.75 0.97 -0.49 1.11 3.08 -1.22 -1.46 114.38 117.12 2b00 h ARG 6 Ca 0.19 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.06 2b00 h ARG 6 Cb 0.17 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 2b00 h ARG 6 CO -0.02 0.73 0.06 1.03 -1.07 0.00 0.00 179.97 180.70 2b00 h SER 7 N 0.98 0.79 -0.83 7.04 0.87 -0.72 -2.40 113.55 119.27 2b00 h SER 7 Ca 0.25 -0.27 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2b00 h SER 7 Cb 0.05 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 61.76 2b00 h SER 7 CO -0.04 0.86 0.54 0.24 -0.53 0.00 0.00 176.83 177.90 2b00 h MET 8 N 0.69 1.10 -0.87 2.24 2.86 -0.22 -0.91 114.93 119.81 2b00 h MET 8 Ca 0.15 -0.07 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2b00 h MET 8 Cb 0.42 -0.24 -0.04 0.00 0.06 0.00 0.00 31.60 31.80 2b00 h MET 8 CO 0.01 0.74 0.48 0.82 1.06 0.00 0.00 176.91 180.02 2b00 h ILE 9 N 1.13 1.25 -0.31 -1.22 2.04 -1.08 -0.29 117.51 119.03 2b00 h ILE 9 Ca 0.30 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 2b00 h ILE 9 Cb -0.11 0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.03 2b00 h ILE 9 CO -0.06 0.28 -0.18 0.11 0.00 0.00 0.00 178.15 178.30 2b00 h LYS 10 N 1.22 0.57 0.19 2.37 1.79 -0.93 0.57 116.57 122.35 2b00 h LYS 10 Ca 0.31 -0.20 -0.01 0.00 -2.18 0.00 0.00 60.65 58.57 2b00 h LYS 10 Cb 0.03 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 2b00 h LYS 10 CO -0.05 0.73 -0.09 0.00 -1.08 0.00 0.00 179.45 178.96 2b00 h ALA 12 N 0.44 0.81 -2.60 0.00 0.00 -0.94 -3.35 119.26 113.62 2b00 h ALA 12 Ca -0.03 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.70 2b00 h ALA 12 Cb 0.27 -0.10 -0.39 0.00 0.00 0.00 0.00 17.79 17.57 2b00 h ALA 12 CO 0.04 0.81 -0.84 0.42 0.00 0.00 0.00 179.25 179.68 2b00 s ILE 13 N -3.35 1.16 0.41 0.00 1.01 0.20 -4.92 121.20 115.71 2b00 s ILE 13 Ca -0.00 -3.16 0.15 0.00 0.00 0.00 0.00 60.65 57.63 2b00 s ILE 13 Cb 0.11 -1.79 0.35 0.00 0.01 0.00 0.00 42.46 41.15 2b00 s ILE 13 CO 0.76 -1.16 1.91 -0.65 0.00 0.00 0.00 174.94 175.80 2b00 h PRO 14 N 5.58 0.45 0.00 2.79 0.11 -1.45 -2.05 132.00 137.43 2b00 h PRO 14 Ca 0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.31 2b00 h PRO 14 Cb 0.86 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.87 2b00 h PRO 14 CO 0.48 0.30 0.00 0.41 -0.21 0.00 0.00 178.00 178.98 2b00 n GLY 15 N -1.51 -1.11 3.73 -0.55 0.00 -1.26 -4.89 105.19 99.60 2b00 n GLY 15 Ca 0.15 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 2b00 n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2b00 n SER 16 N -1.17 2.10 -4.63 1.61 3.41 -0.77 -4.99 113.62 109.19 2b00 n SER 16 Ca 0.17 0.83 -0.35 0.00 -0.26 0.00 0.00 58.87 59.26 2b00 n SER 16 Cb 0.18 -1.56 -0.10 0.00 -0.26 0.00 0.00 64.21 62.47 2b00 n SER 16 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2b00 s HIS 17 N -1.38 3.26 0.23 7.33 3.76 -1.26 -5.01 115.29 122.22 2b00 s HIS 17 Ca 0.83 0.08 -0.06 0.00 -0.15 0.00 0.00 55.06 55.76 2b00 s HIS 17 Cb -0.38 -2.17 0.41 0.00 1.11 0.00 0.00 32.58 31.56 2b00 s HIS 17 CO 0.40 0.07 1.72 -1.35 -0.85 0.00 0.00 174.74 174.74 2b00 h PRO 18 N 7.14 0.37 -0.02 8.40 0.11 -1.99 -1.71 132.00 144.30 2b00 h PRO 18 Ca -0.38 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.72 2b00 h PRO 18 Cb 1.17 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 2b00 h PRO 18 CO 0.68 0.25 0.20 -0.07 -0.21 0.00 0.00 178.00 178.84 2b00 h LEU 19 N 0.39 0.00 -2.15 2.35 3.38 -2.04 -0.79 115.31 116.45 2b00 h LEU 19 Ca 0.39 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.36 2b00 h LEU 19 Cb 0.59 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 2b00 h LEU 19 CO -0.41 0.00 -0.00 -0.03 0.09 0.00 0.00 178.44 178.09 2b00 h MET 20 N 0.00 0.00 0.00 1.13 4.05 -1.70 -1.89 114.93 116.52 2b00 h MET 20 Ca 0.01 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2b00 h MET 20 Cb 0.41 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2b00 h MET 20 CO -0.00 0.00 0.05 -0.44 0.23 0.00 0.00 176.91 176.76 2b00 h ASP 21 N 0.00 0.00 1.89 1.39 3.32 -1.33 0.32 116.42 122.01 2b00 h ASP 21 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2b00 h ASP 21 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2b00 h ASP 21 CO 0.00 0.00 -0.02 -0.26 -1.72 0.00 0.00 179.24 177.24 2b00 h PHE 22 N 0.00 0.00 -2.06 4.55 0.04 -1.56 -3.46 116.94 114.45 2b00 h PHE 22 Ca 0.00 0.00 -0.46 0.00 2.80 0.00 0.00 57.97 60.31 2b00 h PHE 22 Cb 0.11 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2b00 h PHE 22 CO 0.00 0.00 -0.41 -0.80 -0.60 0.00 0.00 178.31 176.50 2b00 s ASN 23 N -5.91 6.09 0.40 2.17 0.02 0.11 -5.14 114.94 112.68 2b00 s ASN 23 Ca 0.07 -0.07 0.08 0.00 -1.02 0.00 0.00 52.86 51.92 2b00 s ASN 23 Cb 0.06 -1.58 -0.05 0.00 0.02 0.00 0.00 41.25 39.70 2b00 s ASN 23 CO 0.66 -0.19 0.16 0.20 0.02 0.00 0.00 177.10 177.95 2b00 s ASN 24 N -4.03 4.40 -0.10 -1.22 0.01 -1.26 -4.93 114.94 107.81 2b00 s ASN 24 Ca 0.37 -1.06 -0.09 0.00 -0.71 0.00 0.00 52.86 51.37 2b00 s ASN 24 Cb -0.09 -0.50 0.03 0.00 0.41 0.00 0.00 41.25 41.10 2b00 s ASN 24 CO 0.29 -0.50 0.27 -0.47 -1.51 0.00 0.00 177.10 175.18 2b00 s TYR 25 N -2.59 -0.30 0.00 2.20 6.14 -0.45 -0.33 117.35 122.01 2b00 s TYR 25 Ca 0.40 0.74 0.00 0.00 0.64 0.00 0.00 57.07 58.85 2b00 s TYR 25 Cb 0.03 0.10 0.00 0.00 0.42 0.00 0.00 41.96 42.51 2b00 s TYR 25 CO 0.22 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 176.66 2b00 n GLY 26 N 3.15 1.43 0.02 8.97 0.00 0.61 -1.72 105.19 117.64 2b00 n GLY 26 Ca -0.15 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.44 2b00 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b00 n TYR 28 N -2.05 0.00 -2.33 0.00 4.01 -1.25 -3.40 117.16 112.14 2b00 n TYR 28 Ca -0.01 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.33 2b00 n TYR 28 Cb 0.49 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.49 2b00 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b00 n GLY 30 N 5.48 0.85 3.76 0.00 0.00 -1.26 -1.35 105.19 112.68 2b00 n GLY 30 Ca 0.11 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.83 2b00 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b00 s LEU 31 N 0.00 4.53 0.00 0.99 1.43 -1.26 -4.81 118.68 119.56 2b00 s LEU 31 Ca 0.00 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 2b00 s LEU 31 Cb 0.00 -3.63 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2b00 s LEU 31 CO 0.00 -0.21 0.00 0.61 0.23 0.00 0.00 176.35 176.98 2b00 n GLY 32 N 1.20 1.16 0.00 -3.19 0.00 -1.26 -5.01 105.19 98.09 2b00 n GLY 32 Ca -0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2b00 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b00 n GLY 33 N 0.00 2.35 3.43 -0.02 0.00 -1.26 -4.67 105.19 105.02 2b00 n GLY 33 Ca 0.00 -1.25 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 2b00 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b00 s SER 34 N 0.00 -0.46 0.88 1.61 1.04 -1.22 -5.05 113.70 110.51 2b00 s SER 34 Ca 0.00 -0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.30 2b00 s SER 34 Cb 0.00 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.70 2b00 s SER 34 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 2b00 n GLY 35 N -0.35 1.38 3.53 7.32 0.00 -1.26 -4.76 105.19 111.05 2b00 n GLY 35 Ca -0.16 -0.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 2b00 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b00 s THR 36 N 0.00 3.38 0.36 2.61 2.01 -1.26 -5.09 115.64 117.65 2b00 s THR 36 Ca 0.00 -0.65 -0.28 0.00 0.31 0.00 0.00 61.69 61.07 2b00 s THR 36 Cb 0.00 -2.37 -0.12 0.00 0.01 0.00 0.00 72.50 70.02 2b00 s THR 36 CO 0.00 0.56 1.29 -2.65 -0.69 0.00 0.00 174.62 173.13 2b00 n PRO 37 N 2.14 2.11 0.13 4.92 -0.02 -1.26 -4.81 135.00 138.21 2b00 n PRO 37 Ca -0.17 0.74 0.03 0.00 -2.02 0.00 0.00 63.50 62.08 2b00 n PRO 37 Cb 0.53 -2.35 0.02 0.00 -0.02 0.00 0.00 33.50 31.68 2b00 n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2b00 h VAL 38 N 2.47 0.70 -2.52 -1.45 -1.51 -1.93 -3.46 116.25 108.54 2b00 h VAL 38 Ca -0.47 -2.03 -0.05 0.00 -1.23 0.00 0.00 66.70 62.92 2b00 h VAL 38 Cb 1.28 2.29 -0.01 0.00 -2.13 0.00 0.00 31.29 32.72 2b00 h VAL 38 CO 0.62 0.40 0.02 -0.90 -1.23 0.00 0.00 177.57 176.48 2b00 n ASP 39 N -3.14 -0.64 -0.10 4.19 5.68 -1.26 -5.03 116.55 116.25 2b00 n ASP 39 Ca 0.00 -1.61 -0.09 0.00 -0.50 0.00 0.00 54.79 52.60 2b00 n ASP 39 Cb 0.73 1.12 -0.01 0.00 -1.14 0.00 0.00 41.12 41.82 2b00 n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2b00 h GLU 40 N 0.00 0.44 -0.50 0.11 4.81 -1.94 0.75 114.58 118.26 2b00 h GLU 40 Ca -0.11 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 2b00 h GLU 40 Cb 0.42 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2b00 h GLU 40 CO 0.14 0.29 0.33 1.25 -0.73 0.00 0.00 179.01 180.29 2b00 h LEU 41 N 0.45 0.57 -1.04 1.64 5.85 -1.91 -1.03 115.31 119.85 2b00 h LEU 41 Ca 0.13 -0.02 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2b00 h LEU 41 Cb -0.05 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.82 2b00 h LEU 41 CO -0.03 0.42 0.09 -0.78 -0.34 0.00 0.00 178.44 177.80 2b00 h ASP 42 N 0.68 0.74 -0.76 1.25 -0.00 -1.85 -1.95 116.42 114.52 2b00 h ASP 42 Ca 0.18 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.03 57.05 2b00 h ASP 42 Cb -0.08 -0.19 -0.04 0.00 -0.00 0.00 0.00 39.33 39.02 2b00 h ASP 42 CO -0.04 0.75 0.40 0.03 -0.00 0.00 0.00 179.24 180.37 2b00 h ARG 43 N 0.75 1.08 -0.65 0.28 3.08 -0.00 -1.13 114.38 117.79 2b00 h ARG 43 Ca 0.16 -0.13 0.03 0.00 0.07 0.00 0.00 59.98 60.11 2b00 h ARG 43 Cb 0.32 -0.21 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2b00 h ARG 43 CO 0.00 0.81 0.40 0.00 -1.07 0.00 0.00 179.97 180.11 2b00 h GLU 46 N 0.77 0.74 -0.54 0.00 4.81 -0.77 -0.92 114.58 118.68 2b00 h GLU 46 Ca 0.12 -0.28 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2b00 h GLU 46 Cb 0.65 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.96 2b00 h GLU 46 CO 0.05 0.87 0.22 1.15 -0.73 0.00 0.00 179.01 180.56 2b00 h THR 47 N 0.54 1.20 -0.57 0.32 2.02 -0.89 0.44 112.91 115.97 2b00 h THR 47 Ca 0.10 -0.61 -0.05 0.00 0.77 0.00 0.00 66.41 66.62 2b00 h THR 47 Cb 0.59 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 2b00 h THR 47 CO 0.04 0.24 0.16 -0.74 0.37 0.00 0.00 175.52 175.59 2b00 h HIS 48 N 0.77 0.93 -0.54 3.16 -0.00 -0.89 0.64 115.15 119.22 2b00 h HIS 48 Ca 0.19 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.45 2b00 h HIS 48 Cb 0.15 -0.27 -0.03 0.00 -0.00 0.00 0.00 27.41 27.27 2b00 h HIS 48 CO 0.01 0.79 0.34 -0.44 -0.00 0.00 0.00 177.93 178.64 2b00 h ASP 49 N 0.80 0.64 -0.50 3.26 5.19 -0.10 -1.31 116.42 124.39 2b00 h ASP 49 Ca 0.18 -0.04 -0.05 0.00 -0.62 0.00 0.00 57.03 56.50 2b00 h ASP 49 Cb 0.31 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.64 2b00 h ASP 49 CO -0.00 0.48 0.14 0.78 -3.12 0.00 0.00 179.24 177.52 2b00 h ASN 50 N 0.73 0.80 -0.61 6.45 -0.26 -0.55 -0.54 115.58 121.60 2b00 h ASN 50 Ca 0.20 -0.14 -0.04 0.00 -0.56 0.00 0.00 56.30 55.76 2b00 h ASN 50 Cb -0.05 -0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 36.97 2b00 h ASN 50 CO -0.04 0.78 0.23 0.00 -1.06 0.00 0.00 177.43 177.34 2b00 h TYR 52 N 0.85 0.77 -0.60 0.00 -1.99 -0.84 -1.71 116.97 113.45 2b00 h TYR 52 Ca 0.20 -0.18 -0.01 0.00 2.00 0.00 0.00 58.73 60.75 2b00 h TYR 52 Cb 0.23 -0.18 -0.03 0.00 2.00 0.00 0.00 36.73 38.74 2b00 h TYR 52 CO 0.01 0.86 0.35 0.00 -0.00 0.00 0.00 178.16 179.39 2b00 h ARG 53 N 0.59 0.82 -0.64 4.88 2.47 -0.59 -1.40 114.38 120.50 2b00 h ARG 53 Ca 0.08 -0.08 -0.03 0.00 -1.26 0.00 0.00 59.98 58.69 2b00 h ARG 53 Cb 0.74 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 28.86 2b00 h ARG 53 CO 0.06 0.60 0.30 -0.44 0.56 0.00 0.00 179.97 181.05 2b00 h ASP 54 N 0.81 0.85 -0.51 7.04 3.32 -0.74 -2.12 116.42 125.07 2b00 h ASP 54 Ca 0.21 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.14 2b00 h ASP 54 Cb -0.00 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 2b00 h ASP 54 CO -0.04 0.75 0.32 0.00 -1.72 0.00 0.00 179.24 178.55 2b00 h ALA 55 N 1.13 0.65 -0.14 3.45 0.00 -0.86 -1.79 119.26 121.70 2b00 h ALA 55 Ca 0.22 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2b00 h ALA 55 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2b00 h ALA 55 CO -0.03 0.04 -0.01 0.87 0.00 0.00 0.00 179.25 180.13 2b00 h LYS 56 N 0.65 0.20 0.00 0.00 1.57 -1.00 -2.02 116.57 115.97 2b00 h LYS 56 Ca 0.20 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2b00 h LYS 56 Cb -0.02 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2b00 h LYS 56 CO -0.07 0.23 0.00 0.09 -0.57 0.00 0.00 179.45 179.13 2b00 n ASN 57 N -4.41 0.00 -4.60 0.86 3.02 -0.69 -4.65 115.26 104.80 2b00 n ASN 57 Ca -0.01 0.28 -0.43 0.00 -0.03 0.00 0.00 54.58 54.40 2b00 n ASN 57 Cb 0.16 -0.41 -0.02 0.00 -0.61 0.00 0.00 39.78 38.90 2b00 n ASN 57 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2b00 s LEU 58 N -2.82 3.64 0.54 3.41 1.43 -0.76 -4.87 118.68 119.26 2b00 s LEU 58 Ca 0.14 0.77 0.31 0.00 -1.03 0.00 0.00 54.13 54.32 2b00 s LEU 58 Cb 0.14 -3.54 1.47 0.00 0.03 0.00 0.00 46.19 44.29 2b00 s LEU 58 CO 0.35 -1.33 1.89 0.44 0.23 0.00 0.00 176.35 177.94 2b00 h ASP 59 N 10.04 0.00 0.97 2.29 3.32 -1.88 0.38 116.42 131.54 2b00 h ASP 59 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2b00 h ASP 59 Cb 1.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2b00 h ASP 59 CO 1.09 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 177.07 2b00 n SER 60 N -4.21 0.28 -4.42 6.45 3.41 -1.26 -4.75 113.62 109.12 2b00 n SER 60 Ca 0.17 0.54 -0.34 0.00 -0.26 0.00 0.00 58.87 58.98 2b00 n SER 60 Cb 0.91 -0.61 -0.13 0.00 -0.26 0.00 0.00 64.21 64.12 2b00 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b00 s LYS 62 N 0.63 1.29 0.15 0.00 1.02 -1.26 -4.74 119.74 116.84 2b00 s LYS 62 Ca -0.04 -0.32 0.10 0.00 0.02 0.00 0.00 55.97 55.73 2b00 s LYS 62 Cb -0.15 -1.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.98 2b00 s LYS 62 CO 0.03 0.04 -0.18 -0.06 -0.92 0.00 0.00 175.35 174.25 2b00 s PHE 63 N 0.56 2.49 0.20 3.18 0.40 -1.26 -5.04 117.98 118.50 2b00 s PHE 63 Ca -0.10 -0.28 -0.33 0.00 -0.60 0.00 0.00 56.93 55.62 2b00 s PHE 63 Cb -0.13 -1.27 -0.14 0.00 0.51 0.00 0.00 43.02 41.99 2b00 s PHE 63 CO 0.02 0.44 1.48 -0.11 0.70 0.00 0.00 175.22 177.75 2b00 n LEU 64 N 0.48 3.02 -3.09 -0.37 7.94 -1.26 -0.40 117.00 123.32 2b00 n LEU 64 Ca -0.14 1.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.71 2b00 n LEU 64 Cb 0.54 -1.41 -0.02 0.00 0.53 0.00 0.00 43.42 43.06 2b00 n LEU 64 CO 0.30 -0.43 -0.06 1.33 -1.11 0.00 0.00 177.39 177.42 2b00 n VAL 65 N 2.62 -0.39 -2.72 1.96 0.24 -1.26 -0.88 118.33 117.90 2b00 n VAL 65 Ca 0.14 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.30 2b00 n VAL 65 Cb 0.30 -0.91 -0.00 0.00 -1.47 0.00 0.00 33.84 31.75 2b00 n VAL 65 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2b00 n ASP 66 N -1.95 -3.68 -4.07 -1.34 8.00 0.46 -4.95 116.55 109.03 2b00 n ASP 66 Ca -0.01 0.04 -0.32 0.00 0.71 0.00 0.00 54.79 55.21 2b00 n ASP 66 Cb 0.52 -3.11 -0.15 0.00 -0.02 0.00 0.00 41.12 38.36 2b00 n ASP 66 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2b00 s ASN 67 N -2.24 4.63 0.62 -2.24 2.47 -0.06 -4.92 114.94 113.20 2b00 s ASN 67 Ca 0.12 -1.62 0.33 0.00 0.42 0.00 0.00 52.86 52.10 2b00 s ASN 67 Cb -0.06 -1.60 1.86 0.00 -1.45 0.00 0.00 41.25 40.00 2b00 s ASN 67 CO 0.15 -0.27 2.16 -0.65 -3.72 0.00 0.00 177.10 174.77 2b00 h PRO 68 N 7.76 0.00 0.00 0.43 0.11 -1.92 -1.36 132.00 137.02 2b00 h PRO 68 Ca -0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.96 2b00 h PRO 68 Cb 1.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.15 2b00 h PRO 68 CO 0.50 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 180.17 2b00 h TYR 69 N 0.00 0.00 0.00 0.65 0.05 -1.94 -0.82 116.97 114.92 2b00 h TYR 69 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.82 2b00 h TYR 69 Cb 0.34 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.08 2b00 h TYR 69 CO 0.00 0.00 -0.51 0.25 -1.05 0.00 0.00 178.16 176.85 2b00 n THR 70 N -2.31 0.15 -2.44 -2.88 -2.24 -0.51 -0.68 114.28 103.37 2b00 n THR 70 Ca -0.00 -0.12 -0.42 0.00 -2.27 0.00 0.00 64.05 61.25 2b00 n THR 70 Cb 0.12 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.34 2b00 n THR 70 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2b00 s GLU 71 N -3.07 3.32 0.23 -0.78 2.56 -0.31 -4.79 118.70 115.85 2b00 s GLU 71 Ca 0.09 0.34 -0.28 0.00 0.00 0.00 0.00 54.97 55.12 2b00 s GLU 71 Cb 0.16 -4.11 -0.09 0.00 2.00 0.00 0.00 34.13 32.09 2b00 s GLU 71 CO 0.69 -1.92 0.89 -1.12 -0.56 0.00 0.00 175.26 173.24 2b00 s SER 72 N 4.11 7.55 0.05 -1.70 0.01 -1.26 0.41 113.70 122.86 2b00 s SER 72 Ca 0.49 1.85 0.01 0.00 1.31 0.00 0.00 55.95 59.60 2b00 s SER 72 Cb -0.10 -2.57 -0.00 0.00 0.21 0.00 0.00 66.02 63.56 2b00 s SER 72 CO 0.24 0.16 0.02 0.00 0.41 0.00 0.00 173.24 174.07 2b00 n TYR 73 N 1.44 -0.02 -5.17 2.43 0.18 -1.26 -4.80 117.16 109.96 2b00 n TYR 73 Ca -0.03 -0.33 -0.30 0.00 1.88 0.00 0.00 57.90 59.12 2b00 n TYR 73 Cb 0.48 0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.28 2b00 n TYR 73 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2b00 s SER 74 N -1.30 2.88 0.15 9.48 0.15 -1.26 -4.90 113.70 118.89 2b00 s SER 74 Ca 0.03 -0.48 -0.14 0.00 0.70 0.00 0.00 55.95 56.06 2b00 s SER 74 Cb 0.00 -0.86 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 2b00 s SER 74 CO 0.02 0.21 0.38 -0.72 1.20 0.00 0.00 173.24 174.34 2b00 s TYR 75 N -0.06 0.01 0.04 3.44 -0.85 -1.26 -1.62 117.35 117.04 2b00 s TYR 75 Ca -0.05 -0.36 0.02 0.00 -0.52 0.00 0.00 57.07 56.15 2b00 s TYR 75 Cb -0.14 0.18 -0.02 0.00 0.38 0.00 0.00 41.96 42.36 2b00 s TYR 75 CO 0.04 -0.75 -0.07 -1.54 -1.52 0.00 0.00 175.55 171.72 2b00 s SER 76 N -2.87 0.71 -0.08 -0.18 1.04 -0.32 -4.94 113.70 107.06 2b00 s SER 76 Ca 0.08 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 56.02 2b00 s SER 76 Cb 0.02 0.05 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 2b00 s SER 76 CO -0.06 -0.21 -0.15 0.00 0.98 0.00 0.00 173.24 173.79 2b00 s SER 78 N -0.24 0.50 -1.30 0.00 0.15 -0.34 -4.93 113.70 107.54 2b00 s SER 78 Ca 0.01 0.17 -0.04 0.00 0.70 0.00 0.00 55.95 56.79 2b00 s SER 78 Cb -0.13 0.93 -0.00 0.00 -1.71 0.00 0.00 66.02 65.10 2b00 s SER 78 CO 0.03 -0.30 0.64 0.59 1.20 0.00 0.00 173.24 175.40 2b00 n ASN 79 N 5.35 -1.78 0.00 5.45 3.02 -1.26 -0.99 115.26 125.06 2b00 n ASN 79 Ca -0.04 -0.90 0.00 0.00 -0.03 0.00 0.00 54.58 53.60 2b00 n ASN 79 Cb 0.50 -3.69 0.00 0.00 -0.61 0.00 0.00 39.78 35.98 2b00 n ASN 79 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2b00 n THR 80 N -4.26 0.00 -3.72 3.41 -2.24 -1.26 -4.98 114.28 101.24 2b00 n THR 80 Ca -0.26 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.16 2b00 n THR 80 Cb 0.66 -0.48 -0.07 0.00 -2.10 0.00 0.00 70.33 68.34 2b00 n THR 80 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2b00 s GLU 81 N -0.97 4.03 -0.15 -0.78 2.12 -0.16 -4.16 118.70 118.63 2b00 s GLU 81 Ca 0.00 -0.13 -0.08 0.00 0.36 0.00 0.00 54.97 55.12 2b00 s GLU 81 Cb 0.00 -3.37 -0.04 0.00 0.26 0.00 0.00 34.13 30.98 2b00 s GLU 81 CO 0.00 0.40 0.11 0.42 -0.54 0.00 0.00 175.26 175.65 2b00 s ILE 82 N 0.04 5.25 -0.08 -3.70 1.01 -1.26 -1.20 121.20 121.26 2b00 s ILE 82 Ca 0.11 0.12 0.01 0.00 0.00 0.00 0.00 60.65 60.89 2b00 s ILE 82 Cb -0.12 -3.33 0.02 0.00 0.01 0.00 0.00 42.46 39.05 2b00 s ILE 82 CO 0.01 0.53 -0.07 -0.89 0.00 0.00 0.00 174.94 174.52 2b00 s THR 83 N -0.33 0.86 -0.08 2.92 2.01 -0.62 -5.00 115.64 115.39 2b00 s THR 83 Ca 0.11 -0.25 -0.22 0.00 0.31 0.00 0.00 61.69 61.64 2b00 s THR 83 Cb -0.12 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 2b00 s THR 83 CO 0.01 0.32 0.62 0.00 -0.69 0.00 0.00 174.62 174.88 2b00 s ASN 85 N 0.74 6.55 0.54 0.00 2.47 -0.64 -4.88 114.94 119.73 2b00 s ASN 85 Ca 0.33 2.68 0.36 0.00 0.42 0.00 0.00 52.86 56.66 2b00 s ASN 85 Cb -0.17 -2.60 1.84 0.00 -1.45 0.00 0.00 41.25 38.87 2b00 s ASN 85 CO 0.15 -0.83 2.10 0.77 -3.72 0.00 0.00 177.10 175.57 2b00 h SER 86 N 6.38 0.00 0.73 -4.21 4.64 -1.95 -2.25 113.55 116.88 2b00 h SER 86 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 2b00 h SER 86 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 2b00 h SER 86 CO 0.89 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 177.14 2b00 n LYS 87 N -2.86 0.21 -1.89 4.77 4.76 -1.26 -4.83 118.16 117.06 2b00 n LYS 87 Ca -0.01 0.02 -0.38 0.00 -2.87 0.00 0.00 58.31 55.07 2b00 n LYS 87 Cb 0.13 -1.50 0.03 0.00 -1.84 0.00 0.00 35.03 31.85 2b00 n LYS 87 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2b00 s ASN 88 N -2.78 5.50 0.81 4.39 0.01 -0.85 -4.98 114.94 117.05 2b00 s ASN 88 Ca 0.20 2.67 -0.12 0.00 -0.71 0.00 0.00 52.86 54.91 2b00 s ASN 88 Cb 0.18 -2.63 0.08 0.00 0.41 0.00 0.00 41.25 39.29 2b00 s ASN 88 CO 0.46 -1.40 1.10 0.54 -1.51 0.00 0.00 177.10 176.29 2b00 s ASN 89 N -1.02 4.40 0.30 -1.22 6.03 -1.26 -4.59 114.94 117.58 2b00 s ASN 89 Ca 0.69 1.26 0.05 0.00 -1.03 0.00 0.00 52.86 53.83 2b00 s ASN 89 Cb -0.38 -1.98 0.78 0.00 -3.03 0.00 0.00 41.25 36.64 2b00 s ASN 89 CO 0.45 -2.03 1.66 0.00 -2.03 0.00 0.00 177.10 175.16 2b00 h ALA 90 N -1.13 1.43 -0.11 3.54 0.00 -1.96 0.39 119.26 121.43 2b00 h ALA 90 Ca -0.47 0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2b00 h ALA 90 Cb 1.28 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 19.31 2b00 h ALA 90 CO 0.60 -0.45 -0.07 0.00 0.00 0.00 0.00 179.25 179.33 2b00 h GLU 92 N -0.14 1.15 -0.70 0.00 5.08 -1.55 -2.13 114.58 116.28 2b00 h GLU 92 Ca 0.02 -0.10 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 2b00 h GLU 92 Cb 0.54 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2b00 h GLU 92 CO 0.02 0.81 0.18 0.00 -1.00 0.00 0.00 179.01 179.01 2b00 h ALA 93 N 1.39 0.92 -0.02 3.43 0.00 -0.24 0.14 119.26 124.88 2b00 h ALA 93 Ca 0.30 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2b00 h ALA 93 Cb -0.04 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.48 2b00 h ALA 93 CO -0.06 0.64 0.01 0.35 0.00 0.00 0.00 179.25 180.20 2b00 h PHE 94 N 1.05 0.03 -0.35 0.00 3.57 -0.99 -0.31 116.94 119.94 2b00 h PHE 94 Ca 0.22 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2b00 h PHE 94 Cb 0.36 -0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.08 2b00 h PHE 94 CO 0.03 0.10 0.19 0.82 -2.23 0.00 0.00 178.31 177.22 2b00 h ILE 95 N -0.04 1.14 -0.77 1.41 1.08 -1.18 -0.83 117.51 118.32 2b00 h ILE 95 Ca 0.01 -0.37 0.05 0.00 -0.39 0.00 0.00 64.86 64.16 2b00 h ILE 95 Cb 0.07 0.75 -0.06 0.00 -3.07 0.00 0.00 36.82 34.52 2b00 h ILE 95 CO -0.00 0.15 0.47 0.00 -0.69 0.00 0.00 178.15 178.07 2b00 h ASN 97 N 0.87 0.15 -0.15 0.00 2.35 -0.71 0.48 115.58 118.57 2b00 h ASN 97 Ca 0.33 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 56.00 2b00 h ASN 97 Cb 0.14 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 2b00 h ASN 97 CO -0.16 0.62 0.03 0.00 -1.65 0.00 0.00 177.43 176.27 2b00 h ASP 99 N 0.04 0.32 0.20 0.00 5.19 -0.89 -1.51 116.42 119.77 2b00 h ASP 99 Ca 0.05 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2b00 h ASP 99 Cb 0.27 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.71 2b00 h ASP 99 CO 0.00 0.23 -0.10 -0.09 -3.12 0.00 0.00 179.24 176.17 2b00 h ARG 100 N 0.39 -0.26 -0.64 3.56 2.43 -0.83 0.12 114.38 119.15 2b00 h ARG 100 Ca 0.12 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 2b00 h ARG 100 Cb -0.02 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 2b00 h ARG 100 CO -0.04 -0.17 0.35 -0.91 -1.51 0.00 0.00 179.97 177.69 2b00 h ASN 101 N -0.27 0.79 -0.31 -3.80 4.21 -1.18 -0.93 115.58 114.09 2b00 h ASN 101 Ca -0.03 -0.06 -0.06 0.00 1.21 0.00 0.00 56.30 57.37 2b00 h ASN 101 Cb 0.21 -0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 37.20 2b00 h ASN 101 CO 0.04 0.63 -0.04 0.00 -1.29 0.00 0.00 177.43 176.78 2b00 h ALA 102 N 1.50 0.42 -0.64 -0.83 0.00 -1.01 0.28 119.26 118.99 2b00 h ALA 102 Ca 0.23 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2b00 h ALA 102 Cb 0.02 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2b00 h ALA 102 CO -0.04 0.21 0.40 0.00 0.00 0.00 0.00 179.25 179.83 2b00 h ALA 103 N 0.81 0.83 -0.52 0.00 0.00 -0.49 0.25 119.26 120.14 2b00 h ALA 103 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.93 2b00 h ALA 103 Cb 0.51 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2b00 h ALA 103 CO 0.02 0.17 0.18 0.82 0.00 0.00 0.00 179.25 180.44 2b00 h ILE 104 N 0.80 1.23 -0.53 0.00 2.04 -1.05 -1.62 117.51 118.37 2b00 h ILE 104 Ca 0.25 -0.73 0.02 0.00 1.00 0.00 0.00 64.86 65.40 2b00 h ILE 104 Cb -0.01 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.78 2b00 h ILE 104 CO -0.09 0.27 0.32 0.00 0.00 0.00 0.00 178.15 178.65 2b00 h PHE 106 N 0.64 0.85 -0.02 0.00 0.04 -0.24 -2.39 116.94 115.83 2b00 h PHE 106 Ca 0.21 0.01 0.01 0.00 2.80 0.00 0.00 57.97 60.99 2b00 h PHE 106 Cb 0.00 -0.29 -0.00 0.00 2.20 0.00 0.00 35.95 37.86 2b00 h PHE 106 CO -0.06 0.56 0.02 0.66 -0.60 0.00 0.00 178.31 178.89 2b00 h SER 107 N 0.90 0.00 0.00 2.17 4.64 -0.79 -2.72 113.55 117.76 2b00 h SER 107 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2b00 h SER 107 Cb -0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.02 2b00 h SER 107 CO -0.05 0.00 -1.23 0.29 -0.87 0.00 0.00 176.83 174.97 2b00 n LYS 108 N -3.70 0.97 -2.92 4.77 5.02 -1.02 -4.99 118.16 116.29 2b00 n LYS 108 Ca -0.03 -0.07 -0.37 0.00 -2.02 0.00 0.00 58.31 55.82 2b00 n LYS 108 Cb 0.11 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 33.69 2b00 n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b00 s ALA 109 N -2.89 3.32 0.49 7.82 0.00 -0.93 -5.04 121.76 124.54 2b00 s ALA 109 Ca 0.01 0.38 -0.21 0.00 0.00 0.00 0.00 51.96 52.14 2b00 s ALA 109 Cb 0.12 -3.03 -0.07 0.00 0.00 0.00 0.00 23.12 20.15 2b00 s ALA 109 CO 0.73 0.25 1.13 -2.14 0.00 0.00 0.00 175.76 175.72 2b00 s PRO 110 N -1.83 3.65 -0.28 0.00 0.02 -1.26 -4.91 135.00 130.40 2b00 s PRO 110 Ca 0.45 1.64 -0.08 0.00 0.02 0.00 0.00 61.00 63.03 2b00 s PRO 110 Cb -0.19 -2.24 -0.02 0.00 0.02 0.00 0.00 34.50 32.07 2b00 s PRO 110 CO 0.24 -0.61 0.11 -0.47 -0.33 0.00 0.00 177.00 175.94 2b00 s TYR 111 N -1.69 3.13 -0.45 6.54 6.14 -1.26 -4.43 117.35 125.33 2b00 s TYR 111 Ca 0.67 -0.49 -0.10 0.00 0.64 0.00 0.00 57.07 57.79 2b00 s TYR 111 Cb -0.25 -2.29 0.10 0.00 0.42 0.00 0.00 41.96 39.94 2b00 s TYR 111 CO 0.29 -0.40 0.32 -0.80 0.64 0.00 0.00 175.55 175.60 2b00 s ASN 112 N 1.61 5.72 0.50 4.32 0.01 -1.26 -4.96 114.94 120.89 2b00 s ASN 112 Ca 0.05 -1.69 0.28 0.00 -0.71 0.00 0.00 52.86 50.80 2b00 s ASN 112 Cb -0.16 -2.02 1.37 0.00 0.41 0.00 0.00 41.25 40.85 2b00 s ASN 112 CO 0.05 -0.63 1.87 0.07 -1.51 0.00 0.00 177.10 176.95 2b00 h LYS 113 N 8.47 0.11 0.00 -0.60 2.10 -1.98 0.13 116.57 124.80 2b00 h LYS 113 Ca -0.23 -0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2b00 h LYS 113 Cb 1.08 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.39 2b00 h LYS 113 CO 0.82 0.07 0.00 0.93 -2.00 0.00 0.00 179.45 179.28 2b00 h GLU 114 N 0.12 0.00 -0.02 0.07 3.07 -2.03 -1.53 114.58 114.26 2b00 h GLU 114 Ca 0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2b00 h GLU 114 Cb 1.62 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.53 2b00 h GLU 114 CO -0.07 0.00 -0.08 0.72 -1.40 0.00 0.00 179.01 178.19 2b00 n HIS 115 N -2.80 0.00 -2.44 4.33 8.25 0.44 -4.78 115.22 118.23 2b00 n HIS 115 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 2b00 n HIS 115 Cb 0.12 -0.01 -0.03 0.00 1.12 0.00 0.00 29.99 31.19 2b00 n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2b00 s LYS 116 N -2.10 4.49 -1.35 -0.41 2.20 -0.58 -0.29 119.74 121.70 2b00 s LYS 116 Ca 0.30 1.78 -0.05 0.00 -0.36 0.00 0.00 55.97 57.64 2b00 s LYS 116 Cb 0.20 -3.30 -0.00 0.00 -1.51 0.00 0.00 37.83 33.22 2b00 s LYS 116 CO 0.37 -0.13 0.50 0.09 -0.36 0.00 0.00 175.35 175.82 2b00 n ASN 117 N 3.19 -1.34 -4.75 1.43 3.02 0.55 -4.91 115.26 112.45 2b00 n ASN 117 Ca 0.06 -1.01 -0.35 0.00 -0.03 0.00 0.00 54.58 53.25 2b00 n ASN 117 Cb 0.46 -3.11 0.05 0.00 -0.61 0.00 0.00 39.78 36.57 2b00 n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2b00 s LEU 118 N -6.88 3.53 -1.16 3.41 2.96 -1.21 -4.90 118.68 114.42 2b00 s LEU 118 Ca 0.10 2.30 -0.21 0.00 -0.22 0.00 0.00 54.13 56.11 2b00 s LEU 118 Cb -0.04 -4.59 0.05 0.00 0.50 0.00 0.00 46.19 42.11 2b00 s LEU 118 CO 0.88 -1.76 1.65 -0.62 -1.32 0.00 0.00 176.35 175.19 2b00 s ASP 119 N -1.89 6.51 0.43 3.68 -1.08 -1.26 -4.80 116.67 118.25 2b00 s ASP 119 Ca 0.75 -1.92 0.08 0.00 -0.52 0.00 0.00 52.55 50.94 2b00 s ASP 119 Cb -0.28 -2.58 0.92 0.00 -1.46 0.00 0.00 42.92 39.52 2b00 s ASP 119 CO 0.37 -1.51 2.07 0.71 0.52 0.00 0.00 175.17 177.34 2b00 h THR 120 N 6.18 1.09 0.00 1.71 1.35 -1.90 -1.02 112.91 120.32 2b00 h THR 120 Ca 0.32 -0.16 -0.00 0.00 -0.55 0.00 0.00 66.41 66.02 2b00 h THR 120 Cb 0.94 0.57 -0.00 0.00 -1.73 0.00 0.00 68.15 67.93 2b00 h THR 120 CO 1.42 0.09 -0.00 0.11 -0.25 0.00 0.00 175.52 176.89 2b00 h LYS 121 N 0.48 0.00 0.00 4.72 1.57 -1.97 -1.50 116.57 119.86 2b00 h LYS 121 Ca 0.13 0.00 -0.30 0.00 -1.87 0.00 0.00 60.65 58.60 2b00 h LYS 121 Cb -0.05 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.20 2b00 h LYS 121 CO -0.03 0.00 -2.15 1.17 -0.57 0.00 0.00 179.45 177.87 2b00 n LYS 122 N -3.09 0.78 -0.11 3.15 4.81 -0.72 -4.72 118.16 118.27 2b00 n LYS 122 Ca -0.01 0.08 0.06 0.00 -0.87 0.00 0.00 58.31 57.57 2b00 n LYS 122 Cb 0.22 -1.41 0.12 0.00 0.02 0.00 0.00 35.03 33.97 2b00 n LYS 122 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2b00 n TYR 123 N -2.95 0.28 0.03 5.64 4.01 -0.47 -5.12 117.16 118.58 2b00 n TYR 123 Ca -0.33 -0.27 0.00 0.00 -0.16 0.00 0.00 57.90 57.14 2b00 n TYR 123 Cb 0.93 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.95 2b00 n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40