#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b03 h LEU 2 N 0.00 -0.72 -1.41 0.00 5.85 -1.38 0.14 115.31 117.79 2b03 h LEU 2 Ca 0.00 0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.90 2b03 h LEU 2 Cb 0.00 0.49 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2b03 h LEU 2 CO 0.00 -0.26 -0.23 4.11 -0.34 0.00 0.00 178.44 181.72 2b03 h TRP 3 N 0.01 0.10 -0.06 1.25 5.08 -2.00 -1.47 115.95 118.85 2b03 h TRP 3 Ca 0.39 -0.01 -0.15 0.00 1.08 0.00 0.00 58.89 60.19 2b03 h TRP 3 Cb 0.61 -0.03 -0.01 0.00 -3.00 0.00 0.00 29.16 26.73 2b03 h TRP 3 CO -0.62 0.32 -0.64 1.96 -1.28 0.00 0.00 178.44 178.18 2b03 h GLN 4 N 0.09 0.25 -0.46 0.12 4.20 -1.21 -2.25 115.11 115.85 2b03 h GLN 4 Ca 0.01 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.49 2b03 h GLN 4 Cb 0.46 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.25 2b03 h GLN 4 CO 0.03 0.81 0.07 0.35 -0.67 0.00 0.00 178.83 179.42 2b03 h PHE 5 N 0.18 0.82 -0.19 2.96 3.57 -0.14 0.11 116.94 124.24 2b03 h PHE 5 Ca -0.01 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.39 2b03 h PHE 5 Cb 1.17 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.67 2b03 h PHE 5 CO 0.02 0.76 0.08 0.00 -2.23 0.00 0.00 178.31 176.95 2b03 h ARG 6 N 0.63 0.18 -0.85 1.11 3.08 -1.16 -1.51 114.38 115.86 2b03 h ARG 6 Ca 0.14 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.19 2b03 h ARG 6 Cb 0.39 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.35 2b03 h ARG 6 CO 0.01 0.12 0.56 1.03 -1.07 0.00 0.00 179.97 180.62 2b03 h SER 7 N 0.19 0.96 0.27 7.04 0.87 -1.13 -1.91 113.55 119.83 2b03 h SER 7 Ca 0.08 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.58 2b03 h SER 7 Cb 0.03 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.75 2b03 h SER 7 CO -0.06 0.69 -0.16 -0.03 -0.53 0.00 0.00 176.83 176.74 2b03 h MET 8 N 1.13 0.00 0.13 2.24 1.85 -0.26 -2.54 114.93 117.47 2b03 h MET 8 Ca 0.32 0.00 -0.28 0.00 -0.61 0.00 0.00 59.70 59.13 2b03 h MET 8 Cb -0.10 0.00 0.03 0.00 0.43 0.00 0.00 31.60 31.96 2b03 h MET 8 CO -0.08 0.16 -1.15 0.82 -0.40 0.00 0.00 176.91 176.25 2b03 h ILE 9 N 0.00 1.33 -0.45 1.77 2.04 -0.52 -3.10 117.51 118.57 2b03 h ILE 9 Ca -0.00 -2.46 -0.01 0.00 1.00 0.00 0.00 64.86 63.40 2b03 h ILE 9 Cb 0.34 2.79 -0.02 0.00 -0.74 0.00 0.00 36.82 39.19 2b03 h ILE 9 CO 0.02 0.74 0.25 0.11 0.00 0.00 0.00 178.15 179.27 2b03 h LYS 10 N 0.14 0.62 0.32 2.37 1.57 -1.14 0.49 116.57 120.94 2b03 h LYS 10 Ca -0.18 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.53 2b03 h LYS 10 Cb 1.85 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 34.03 2b03 h LYS 10 CO 0.22 0.45 -0.17 0.00 -0.57 0.00 0.00 179.45 179.38 2b03 h ALA 12 N 0.21 1.00 -2.08 0.00 0.00 -1.41 -3.34 119.26 113.64 2b03 h ALA 12 Ca -0.04 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.38 2b03 h ALA 12 Cb 0.37 0.00 -0.33 0.00 0.00 0.00 0.00 17.79 17.82 2b03 h ALA 12 CO 0.06 0.00 -0.87 0.42 0.00 0.00 0.00 179.25 178.86 2b03 s ILE 13 N -3.26 0.04 0.06 0.00 1.01 0.14 -4.89 121.20 114.29 2b03 s ILE 13 Ca 0.07 -2.26 -0.12 0.00 0.00 0.00 0.00 60.65 58.35 2b03 s ILE 13 Cb 0.09 -0.98 -0.03 0.00 0.01 0.00 0.00 42.46 41.56 2b03 s ILE 13 CO 0.57 -0.97 1.17 -2.65 0.00 0.00 0.00 174.94 173.06 2b03 n PRO 14 N 2.91 -0.17 -0.61 2.79 -0.02 -0.24 -2.07 135.00 137.60 2b03 n PRO 14 Ca 0.27 1.16 -0.07 0.00 -2.02 0.00 0.00 63.50 62.83 2b03 n PRO 14 Cb 0.49 -1.72 -0.10 0.00 -0.02 0.00 0.00 33.50 32.15 2b03 n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2b03 n GLY 15 N -1.10 2.23 0.00 -1.23 0.00 -1.26 -3.64 105.19 100.19 2b03 n GLY 15 Ca 0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.29 2b03 n GLY 15 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2b03 n SER 16 N 2.68 2.27 -0.35 1.61 2.88 -0.88 -4.80 113.62 117.02 2b03 n SER 16 Ca 0.26 -0.28 0.01 0.00 -1.33 0.00 0.00 58.87 57.53 2b03 n SER 16 Cb 0.56 1.01 0.07 0.00 -0.75 0.00 0.00 64.21 65.10 2b03 n SER 16 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 2b03 h HIS 17 N 0.00 -0.87 0.00 0.66 2.76 -1.80 0.14 115.15 116.04 2b03 h HIS 17 Ca 0.00 0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 2b03 h HIS 17 Cb 0.02 0.52 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2b03 h HIS 17 CO 0.00 -0.40 0.00 -0.35 -1.30 0.00 0.00 177.93 175.88 2b03 n PRO 18 N -5.52 0.02 0.00 5.26 -0.04 -1.26 -2.59 135.00 130.87 2b03 n PRO 18 Ca 0.11 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.04 2b03 n PRO 18 Cb 0.42 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 32.37 2b03 n PRO 18 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2b03 n LEU 19 N -1.40 1.30 -0.30 1.53 4.32 0.48 -3.95 117.00 118.99 2b03 n LEU 19 Ca 0.01 -0.52 0.10 0.00 -0.02 0.00 0.00 56.01 55.58 2b03 n LEU 19 Cb 0.03 -0.03 0.45 0.00 -1.62 0.00 0.00 43.42 42.25 2b03 n LEU 19 CO 0.02 0.28 0.81 0.23 -1.22 0.00 0.00 177.39 177.51 2b03 n MET 20 N -0.94 1.40 -0.73 3.23 2.81 -1.07 -4.87 117.12 116.94 2b03 n MET 20 Ca 0.06 -0.60 -0.18 0.00 -1.81 0.00 0.00 57.70 55.17 2b03 n MET 20 Cb 0.38 -1.35 0.07 0.00 -0.71 0.00 0.00 33.22 31.61 2b03 n MET 20 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2b03 n ASP 21 N -0.18 -2.60 0.30 7.83 2.03 -1.25 -4.68 116.55 118.00 2b03 n ASP 21 Ca 0.15 -0.14 0.08 0.00 0.52 0.00 0.00 54.79 55.40 2b03 n ASP 21 Cb 0.21 -0.63 0.42 0.00 -0.72 0.00 0.00 41.12 40.40 2b03 n ASP 21 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2b03 h PHE 22 N -1.98 0.00 -2.62 -0.67 0.04 -1.93 -3.42 116.94 106.35 2b03 h PHE 22 Ca -0.23 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.26 2b03 h PHE 22 Cb 0.72 0.00 0.16 0.00 2.20 0.00 0.00 35.95 39.03 2b03 h PHE 22 CO -1.94 0.00 -0.06 0.27 -0.60 0.00 0.00 178.31 175.98 2b03 n ASN 23 N -2.58 -3.05 -3.73 2.17 0.23 -1.26 -5.10 115.26 101.93 2b03 n ASN 23 Ca -0.01 -0.79 -0.11 0.00 -0.53 0.00 0.00 54.58 53.14 2b03 n ASN 23 Cb 0.62 -0.76 -0.07 0.00 -2.08 0.00 0.00 39.78 37.49 2b03 n ASN 23 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 2b03 s ASN 24 N -3.15 -0.14 -0.04 0.53 0.01 -1.26 -4.98 114.94 105.91 2b03 s ASN 24 Ca 0.52 -0.22 0.02 0.00 -0.71 0.00 0.00 52.86 52.47 2b03 s ASN 24 Cb -0.08 0.38 0.01 0.00 0.41 0.00 0.00 41.25 41.97 2b03 s ASN 24 CO 0.42 -0.66 -0.09 -0.47 -1.51 0.00 0.00 177.10 174.79 2b03 s TYR 25 N -2.81 1.02 0.00 2.20 6.14 0.34 0.19 117.35 124.43 2b03 s TYR 25 Ca -0.03 -0.30 0.00 0.00 0.64 0.00 0.00 57.07 57.38 2b03 s TYR 25 Cb 0.00 -0.77 0.00 0.00 0.42 0.00 0.00 41.96 41.61 2b03 s TYR 25 CO -0.05 -0.16 0.00 0.41 0.64 0.00 0.00 175.55 176.39 2b03 n GLY 26 N 3.59 1.95 0.00 8.97 0.00 -0.72 -1.31 105.19 117.67 2b03 n GLY 26 Ca -0.21 -0.54 0.07 0.00 0.00 0.00 0.00 46.02 45.34 2b03 n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2b03 n TYR 28 N -1.58 0.00 -2.40 0.00 4.01 -1.25 -2.99 117.16 112.95 2b03 n TYR 28 Ca 0.01 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 2b03 n TYR 28 Cb 0.29 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.29 2b03 n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2b03 n GLY 30 N 6.21 0.07 3.78 0.00 0.00 -1.26 -0.50 105.19 113.49 2b03 n GLY 30 Ca 0.22 -1.06 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 2b03 n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2b03 s LEU 31 N 0.00 3.46 0.00 0.99 1.43 -1.26 -4.87 118.68 118.43 2b03 s LEU 31 Ca 0.00 -0.57 0.00 0.00 -1.03 0.00 0.00 54.13 52.53 2b03 s LEU 31 Cb 0.00 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.22 2b03 s LEU 31 CO 0.00 -0.23 0.00 0.61 0.23 0.00 0.00 176.35 176.96 2b03 n GLY 32 N -1.20 2.05 0.00 -3.19 0.00 -1.26 -4.96 105.19 96.64 2b03 n GLY 32 Ca -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.85 2b03 n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b03 n GLY 33 N 0.00 -0.91 3.48 -0.02 0.00 -1.26 -5.03 105.19 101.44 2b03 n GLY 33 Ca 0.00 -1.36 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 2b03 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2b03 s SER 34 N -1.30 -0.51 0.67 1.61 1.04 -1.16 -5.03 113.70 109.01 2b03 s SER 34 Ca 0.00 0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.60 2b03 s SER 34 Cb 0.00 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.62 2b03 s SER 34 CO 0.00 -0.75 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2b03 n GLY 35 N -0.00 0.98 3.55 7.32 0.00 -1.26 -4.79 105.19 110.99 2b03 n GLY 35 Ca -0.15 -0.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.83 2b03 n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2b03 s THR 36 N 0.00 3.50 0.35 2.61 2.01 -1.26 -5.08 115.64 117.77 2b03 s THR 36 Ca 0.00 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.14 2b03 s THR 36 Cb 0.00 -2.43 -0.12 0.00 0.01 0.00 0.00 72.50 69.96 2b03 s THR 36 CO 0.00 0.57 1.12 -2.65 -0.69 0.00 0.00 174.62 172.96 2b03 n PRO 37 N 2.15 1.64 0.12 4.92 -0.02 -1.26 -4.78 135.00 137.77 2b03 n PRO 37 Ca -0.17 0.58 0.12 0.00 -2.02 0.00 0.00 63.50 62.00 2b03 n PRO 37 Cb 0.53 -2.08 0.08 0.00 -0.02 0.00 0.00 33.50 32.00 2b03 n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2b03 h VAL 38 N 2.06 0.00 -2.02 -1.45 -1.51 -1.96 -3.47 116.25 107.90 2b03 h VAL 38 Ca -0.43 -0.87 0.01 0.00 -1.23 0.00 0.00 66.70 64.17 2b03 h VAL 38 Cb 1.32 1.51 -0.00 0.00 -2.13 0.00 0.00 31.29 31.98 2b03 h VAL 38 CO 0.60 0.00 0.10 -0.90 -1.23 0.00 0.00 177.57 176.14 2b03 n ASP 39 N -2.63 -0.46 -0.02 4.19 5.68 -1.26 -5.01 116.55 117.05 2b03 n ASP 39 Ca 0.02 -1.28 -0.10 0.00 -0.50 0.00 0.00 54.79 52.93 2b03 n ASP 39 Cb 0.52 0.75 -0.04 0.00 -1.14 0.00 0.00 41.12 41.21 2b03 n ASP 39 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2b03 h GLU 40 N 0.00 0.03 -0.29 0.11 4.81 -1.94 0.11 114.58 117.42 2b03 h GLU 40 Ca -0.07 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2b03 h GLU 40 Cb 0.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2b03 h GLU 40 CO 0.09 0.02 0.17 1.25 -0.73 0.00 0.00 179.01 179.81 2b03 h LEU 41 N 0.03 0.29 -1.31 1.64 6.46 -1.92 -1.23 115.31 119.27 2b03 h LEU 41 Ca 0.07 -0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 57.77 2b03 h LEU 41 Cb 0.09 -0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 39.94 2b03 h LEU 41 CO -0.12 0.21 -0.10 -0.78 -0.62 0.00 0.00 178.44 177.02 2b03 h ASP 42 N 0.35 0.32 -0.05 1.25 3.58 -1.86 -1.67 116.42 118.35 2b03 h ASP 42 Ca 0.11 -0.07 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 2b03 h ASP 42 Cb -0.01 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 2b03 h ASP 42 CO -0.04 0.46 -0.21 -0.09 -2.88 0.00 0.00 179.24 176.48 2b03 h ARG 43 N 0.32 0.44 -0.27 0.28 2.43 0.04 -1.32 114.38 116.30 2b03 h ARG 43 Ca 0.07 -0.15 0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2b03 h ARG 43 Cb 0.38 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 2b03 h ARG 43 CO 0.02 0.63 0.10 0.00 -1.51 0.00 0.00 179.97 179.21 2b03 h GLU 46 N 1.09 0.91 -0.69 0.00 4.81 -0.49 0.13 114.58 120.33 2b03 h GLU 46 Ca 0.27 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 2b03 h GLU 46 Cb 0.11 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.34 2b03 h GLU 46 CO -0.03 0.84 0.40 1.15 -0.73 0.00 0.00 179.01 180.64 2b03 h THR 47 N 0.81 1.21 -0.48 0.32 2.02 -0.07 -1.00 112.91 115.72 2b03 h THR 47 Ca 0.18 -0.49 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2b03 h THR 47 Cb 0.34 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 2b03 h THR 47 CO 0.00 0.22 0.11 -0.74 0.37 0.00 0.00 175.52 175.49 2b03 h HIS 48 N 0.95 0.74 -0.50 3.16 -0.00 -0.61 0.00 115.15 118.90 2b03 h HIS 48 Ca 0.25 -0.06 -0.11 0.00 -0.00 0.00 0.00 60.37 60.45 2b03 h HIS 48 Cb 0.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 27.18 2b03 h HIS 48 CO -0.01 0.63 -0.10 0.22 -0.00 0.00 0.00 177.93 178.67 2b03 h ASP 49 N 0.70 0.95 0.07 3.26 3.58 -0.31 -1.52 116.42 123.15 2b03 h ASP 49 Ca 0.16 -0.35 -0.09 0.00 0.42 0.00 0.00 57.03 57.16 2b03 h ASP 49 Cb 0.27 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.04 2b03 h ASP 49 CO -0.00 1.08 -0.30 0.78 -2.88 0.00 0.00 179.24 177.93 2b03 h ASN 50 N 0.81 0.35 -0.22 2.28 -0.26 -0.67 -0.88 115.58 116.98 2b03 h ASN 50 Ca 0.13 -0.12 -0.02 0.00 -0.56 0.00 0.00 56.30 55.73 2b03 h ASN 50 Cb 0.66 -0.09 -0.01 0.00 -1.06 0.00 0.00 38.32 37.81 2b03 h ASN 50 CO 0.05 0.64 0.07 0.00 -1.06 0.00 0.00 177.43 177.12 2b03 h TYR 52 N 0.18 1.15 -0.77 0.00 -1.99 -1.06 -1.16 116.97 113.33 2b03 h TYR 52 Ca 0.07 -0.03 0.03 0.00 2.00 0.00 0.00 58.73 60.80 2b03 h TYR 52 Cb 0.24 -0.37 -0.05 0.00 2.00 0.00 0.00 36.73 38.56 2b03 h TYR 52 CO 0.00 0.81 0.49 -0.09 -0.00 0.00 0.00 178.16 179.37 2b03 h ARG 53 N 1.17 0.94 -0.46 4.88 2.43 -0.64 0.47 114.38 123.17 2b03 h ARG 53 Ca 0.29 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.35 2b03 h ARG 53 Cb 0.04 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.36 2b03 h ARG 53 CO -0.05 0.62 0.05 -0.44 -1.51 0.00 0.00 179.97 178.65 2b03 h ASP 54 N 0.97 0.68 -0.36 -3.80 3.32 0.07 -2.58 116.42 114.71 2b03 h ASP 54 Ca 0.30 -0.13 -0.03 0.00 0.02 0.00 0.00 57.03 57.19 2b03 h ASP 54 Cb -0.01 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 2b03 h ASP 54 CO -0.10 0.71 0.12 0.00 -1.72 0.00 0.00 179.24 178.25 2b03 h ALA 55 N 1.37 0.47 0.00 3.45 0.00 0.05 -2.14 119.26 122.47 2b03 h ALA 55 Ca 0.15 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2b03 h ALA 55 Cb 0.35 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2b03 h ALA 55 CO 0.01 0.10 -0.02 0.87 0.00 0.00 0.00 179.25 180.21 2b03 h LYS 56 N 0.43 0.00 0.00 0.00 1.57 -0.71 -1.82 116.57 116.05 2b03 h LYS 56 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2b03 h LYS 56 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2b03 h LYS 56 CO -0.01 0.02 -0.41 -0.91 -0.57 0.00 0.00 179.45 177.58 2b03 h ASN 57 N 0.00 0.00 -2.50 0.86 -0.26 -1.00 -3.45 115.58 109.23 2b03 h ASN 57 Ca -0.00 -0.10 -0.54 0.00 -0.56 0.00 0.00 56.30 55.10 2b03 h ASN 57 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.41 2b03 h ASN 57 CO 0.00 0.05 1.16 -0.76 -1.06 0.00 0.00 177.43 176.82 2b03 s LEU 58 N -4.65 4.37 0.58 1.61 1.43 -0.69 -4.83 118.68 116.50 2b03 s LEU 58 Ca 0.07 2.44 0.38 0.00 -1.03 0.00 0.00 54.13 55.98 2b03 s LEU 58 Cb 0.12 -3.53 1.84 0.00 0.03 0.00 0.00 46.19 44.65 2b03 s LEU 58 CO 0.69 -0.98 2.13 -2.24 0.23 0.00 0.00 176.35 176.17 2b03 h ASP 59 N 10.02 0.00 0.14 2.29 2.03 -1.88 -1.70 116.42 127.32 2b03 h ASP 59 Ca -0.44 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.86 2b03 h ASP 59 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 2b03 h ASP 59 CO 0.95 0.00 -0.12 -1.54 -1.03 0.00 0.00 179.24 177.50 2b03 n SER 60 N -2.98 1.10 -4.33 4.15 3.41 -1.26 -4.88 113.62 108.83 2b03 n SER 60 Ca -0.01 -1.10 -0.30 0.00 -0.26 0.00 0.00 58.87 57.19 2b03 n SER 60 Cb 0.17 0.05 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 2b03 n SER 60 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2b03 s LYS 62 N -1.09 0.01 0.11 0.00 2.36 -1.26 -4.77 119.74 115.11 2b03 s LYS 62 Ca 0.11 0.47 0.04 0.00 -2.55 0.00 0.00 55.97 54.04 2b03 s LYS 62 Cb -0.10 -0.31 -0.04 0.00 -1.05 0.00 0.00 37.83 36.33 2b03 s LYS 62 CO 0.01 -0.28 0.09 -0.06 1.55 0.00 0.00 175.35 176.66 2b03 s PHE 63 N 2.01 3.13 -0.00 4.03 0.40 -1.26 -5.02 117.98 121.27 2b03 s PHE 63 Ca 0.01 0.02 -0.36 0.00 -0.60 0.00 0.00 56.93 56.00 2b03 s PHE 63 Cb -0.12 -1.56 -0.15 0.00 0.51 0.00 0.00 43.02 41.70 2b03 s PHE 63 CO -0.05 0.52 1.59 -0.11 0.70 0.00 0.00 175.22 177.87 2b03 n LEU 64 N 0.16 2.53 -3.34 -0.37 7.94 -1.26 -0.14 117.00 122.51 2b03 n LEU 64 Ca -0.09 1.07 -0.21 0.00 -1.11 0.00 0.00 56.01 55.67 2b03 n LEU 64 Cb 0.53 -1.28 -0.02 0.00 0.53 0.00 0.00 43.42 43.18 2b03 n LEU 64 CO 0.43 -0.53 -0.06 1.33 -1.11 0.00 0.00 177.39 177.45 2b03 n VAL 65 N 3.69 -0.54 -3.36 1.96 0.24 -1.26 -1.13 118.33 117.93 2b03 n VAL 65 Ca 0.20 0.00 -0.23 0.00 -2.04 0.00 0.00 64.34 62.27 2b03 n VAL 65 Cb 0.22 -1.13 -0.01 0.00 -1.47 0.00 0.00 33.84 31.46 2b03 n VAL 65 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2b03 n ASP 66 N -2.11 -3.64 -4.02 -1.34 8.00 0.80 -4.94 116.55 109.30 2b03 n ASP 66 Ca 0.01 -0.39 -0.31 0.00 0.71 0.00 0.00 54.79 54.81 2b03 n ASP 66 Cb 0.52 -3.02 -0.15 0.00 -0.02 0.00 0.00 41.12 38.45 2b03 n ASP 66 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 2b03 s ASN 67 N -2.71 4.73 0.60 -2.24 2.47 -0.28 -4.95 114.94 112.56 2b03 s ASN 67 Ca 0.40 -2.11 0.29 0.00 0.42 0.00 0.00 52.86 51.86 2b03 s ASN 67 Cb -0.21 -1.61 1.50 0.00 -1.45 0.00 0.00 41.25 39.49 2b03 s ASN 67 CO 0.49 -0.37 1.91 -0.65 -3.72 0.00 0.00 177.10 174.76 2b03 h PRO 68 N 7.63 0.00 0.00 0.43 0.11 -1.92 -0.10 132.00 138.14 2b03 h PRO 68 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2b03 h PRO 68 Cb 1.02 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2b03 h PRO 68 CO 0.52 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.97 2b03 n TYR 69 N -3.63 0.78 0.74 0.65 4.01 -1.26 -1.42 117.16 117.03 2b03 n TYR 69 Ca 0.07 0.37 0.12 0.00 -0.16 0.00 0.00 57.90 58.30 2b03 n TYR 69 Cb 0.61 -1.10 0.26 0.00 -0.31 0.00 0.00 39.34 38.80 2b03 n TYR 69 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2b03 n THR 70 N -2.28 0.24 -2.43 -0.72 -2.24 -0.05 -0.97 114.28 105.83 2b03 n THR 70 Ca -0.00 -0.17 -0.42 0.00 -2.27 0.00 0.00 64.05 61.19 2b03 n THR 70 Cb 0.10 -0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 2b03 n THR 70 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2b03 s GLU 71 N -3.10 3.46 0.24 -0.78 2.56 -0.50 -4.78 118.70 115.80 2b03 s GLU 71 Ca 0.09 0.59 -0.30 0.00 0.00 0.00 0.00 54.97 55.35 2b03 s GLU 71 Cb 0.15 -4.05 -0.09 0.00 2.00 0.00 0.00 34.13 32.14 2b03 s GLU 71 CO 0.68 -1.72 0.93 -1.12 -0.56 0.00 0.00 175.26 173.48 2b03 s SER 72 N 3.85 7.62 0.38 -1.70 0.01 -1.26 0.26 113.70 122.85 2b03 s SER 72 Ca 0.53 1.93 0.05 0.00 1.31 0.00 0.00 55.95 59.77 2b03 s SER 72 Cb -0.11 -2.60 -0.02 0.00 0.21 0.00 0.00 66.02 63.50 2b03 s SER 72 CO 0.28 0.15 0.18 0.00 0.41 0.00 0.00 173.24 174.27 2b03 n TYR 73 N 1.44 -0.15 -4.87 2.43 0.18 -1.26 -4.82 117.16 110.11 2b03 n TYR 73 Ca -0.02 -2.61 -0.33 0.00 1.88 0.00 0.00 57.90 56.82 2b03 n TYR 73 Cb 0.47 0.08 -0.14 0.00 -0.38 0.00 0.00 39.34 39.37 2b03 n TYR 73 CO 0.00 0.00 0.00 0.45 -2.08 0.00 0.00 176.86 175.23 2b03 s SER 74 N -3.39 3.87 0.11 9.48 0.15 -1.26 -4.92 113.70 117.74 2b03 s SER 74 Ca 0.26 -0.33 -0.16 0.00 0.70 0.00 0.00 55.95 56.42 2b03 s SER 74 Cb 0.01 -1.38 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 2b03 s SER 74 CO 0.18 0.21 0.39 -0.72 1.20 0.00 0.00 173.24 174.51 2b03 s TYR 75 N 0.08 -0.20 0.06 3.44 -0.85 -1.26 -1.81 117.35 116.81 2b03 s TYR 75 Ca -0.06 -0.07 0.03 0.00 -0.52 0.00 0.00 57.07 56.45 2b03 s TYR 75 Cb -0.15 0.24 -0.03 0.00 0.38 0.00 0.00 41.96 42.40 2b03 s TYR 75 CO 0.05 -0.67 -0.10 -1.54 -1.52 0.00 0.00 175.55 171.77 2b03 s SER 76 N -2.66 1.16 -0.11 -0.18 1.04 -0.52 -4.94 113.70 107.50 2b03 s SER 76 Ca 0.01 -0.61 0.02 0.00 0.48 0.00 0.00 55.95 55.85 2b03 s SER 76 Cb 0.01 0.01 -0.01 0.00 0.10 0.00 0.00 66.02 66.13 2b03 s SER 76 CO -0.10 -0.18 -0.17 0.00 0.98 0.00 0.00 173.24 173.77 2b03 n SER 78 N 3.35 0.00 -3.95 0.00 2.88 0.00 -4.92 113.62 110.98 2b03 n SER 78 Ca -0.18 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.01 2b03 n SER 78 Cb 0.53 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.93 2b03 n SER 78 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2b03 n ASN 79 N 0.00 4.45 0.00 -3.46 3.02 -1.26 -4.58 115.26 113.43 2b03 n ASN 79 Ca 0.00 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.31 2b03 n ASN 79 Cb 0.00 -1.01 0.00 0.00 -0.61 0.00 0.00 39.78 38.16 2b03 n ASN 79 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2b03 n THR 80 N 1.85 0.00 -3.56 3.41 -2.24 -1.25 -4.96 114.28 107.52 2b03 n THR 80 Ca 0.24 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.63 2b03 n THR 80 Cb 0.37 -0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.01 2b03 n THR 80 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2b03 s GLU 81 N -0.96 3.87 -0.06 -0.78 2.56 -1.26 -4.17 118.70 117.90 2b03 s GLU 81 Ca 0.00 -0.35 -0.17 0.00 0.00 0.00 0.00 54.97 54.45 2b03 s GLU 81 Cb 0.00 -3.69 -0.05 0.00 2.00 0.00 0.00 34.13 32.39 2b03 s GLU 81 CO 0.00 -0.24 0.46 0.42 -0.56 0.00 0.00 175.26 175.34 2b03 s ILE 82 N 1.78 5.09 -0.08 -3.70 1.01 -1.26 -0.82 121.20 123.23 2b03 s ILE 82 Ca 0.07 0.93 0.01 0.00 0.00 0.00 0.00 60.65 61.66 2b03 s ILE 82 Cb -0.16 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.54 2b03 s ILE 82 CO 0.11 0.44 -0.08 -0.89 0.00 0.00 0.00 174.94 174.51 2b03 s THR 83 N -0.12 0.91 -0.07 2.92 2.01 -0.35 -5.02 115.64 115.93 2b03 s THR 83 Ca 0.25 -0.29 -0.23 0.00 0.31 0.00 0.00 61.69 61.73 2b03 s THR 83 Cb -0.16 -0.90 -0.04 0.00 0.01 0.00 0.00 72.50 71.41 2b03 s THR 83 CO 0.12 0.32 0.68 0.00 -0.69 0.00 0.00 174.62 175.05 2b03 s ASN 85 N 0.75 6.50 0.23 0.00 3.84 -0.75 -4.86 114.94 120.63 2b03 s ASN 85 Ca 0.36 2.73 0.22 0.00 0.21 0.00 0.00 52.86 56.38 2b03 s ASN 85 Cb -0.17 -2.60 0.93 0.00 -0.55 0.00 0.00 41.25 38.86 2b03 s ASN 85 CO 0.17 -0.89 1.66 -1.54 -2.79 0.00 0.00 177.10 173.72 2b03 n SER 86 N 3.88 0.56 0.03 -4.21 3.41 -1.26 -2.29 113.62 113.74 2b03 n SER 86 Ca 0.14 0.65 0.13 0.00 -0.26 0.00 0.00 58.87 59.53 2b03 n SER 86 Cb 0.37 -0.76 0.53 0.00 -0.26 0.00 0.00 64.21 64.08 2b03 n SER 86 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2b03 n LYS 87 N -2.13 0.08 -1.83 4.33 4.76 -1.26 -4.83 118.16 117.26 2b03 n LYS 87 Ca 0.02 0.10 -0.39 0.00 -2.87 0.00 0.00 58.31 55.18 2b03 n LYS 87 Cb 0.20 -1.60 0.03 0.00 -1.84 0.00 0.00 35.03 31.82 2b03 n LYS 87 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 2b03 s ASN 88 N -3.46 5.52 0.90 4.39 0.01 -0.97 -4.98 114.94 116.35 2b03 s ASN 88 Ca 0.12 2.76 -0.12 0.00 -0.71 0.00 0.00 52.86 54.91 2b03 s ASN 88 Cb 0.16 -2.64 0.13 0.00 0.41 0.00 0.00 41.25 39.31 2b03 s ASN 88 CO 0.51 -1.40 1.11 0.54 -1.51 0.00 0.00 177.10 176.35 2b03 s ASN 89 N -0.87 3.56 0.23 -1.22 6.03 -1.26 -4.61 114.94 116.80 2b03 s ASN 89 Ca 0.68 1.18 -0.07 0.00 -1.03 0.00 0.00 52.86 53.62 2b03 s ASN 89 Cb -0.40 -1.83 0.40 0.00 -3.03 0.00 0.00 41.25 36.39 2b03 s ASN 89 CO 0.49 -2.54 1.69 0.00 -2.03 0.00 0.00 177.10 174.71 2b03 h ALA 90 N -1.49 0.87 -0.41 3.54 0.00 -1.96 0.30 119.26 120.11 2b03 h ALA 90 Ca -0.50 0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.51 2b03 h ALA 90 Cb 1.31 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2b03 h ALA 90 CO 0.59 -0.32 0.05 0.00 0.00 0.00 0.00 179.25 179.57 2b03 h GLU 92 N 0.55 0.67 -0.46 0.00 5.08 -1.66 -2.54 114.58 116.21 2b03 h GLU 92 Ca 0.12 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 2b03 h GLU 92 Cb 0.41 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2b03 h GLU 92 CO 0.01 0.75 -0.06 0.00 -1.00 0.00 0.00 179.01 178.72 2b03 h ALA 93 N 1.28 1.04 -0.40 3.43 0.00 -0.23 0.18 119.26 124.57 2b03 h ALA 93 Ca 0.11 -0.29 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2b03 h ALA 93 Cb 0.53 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2b03 h ALA 93 CO 0.03 0.59 0.03 0.35 0.00 0.00 0.00 179.25 180.25 2b03 h PHE 94 N 0.73 0.73 -0.14 0.00 3.04 -1.07 -1.23 116.94 119.01 2b03 h PHE 94 Ca 0.13 -0.12 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 2b03 h PHE 94 Cb 0.52 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 38.83 2b03 h PHE 94 CO 0.03 0.74 -0.01 0.82 -2.02 0.00 0.00 178.31 177.87 2b03 h ILE 95 N 0.51 1.26 -0.46 1.41 1.08 -1.14 -1.00 117.51 119.17 2b03 h ILE 95 Ca 0.12 -0.86 0.09 0.00 -0.39 0.00 0.00 64.86 63.81 2b03 h ILE 95 Cb 0.43 1.56 -0.08 0.00 -3.07 0.00 0.00 36.82 35.66 2b03 h ILE 95 CO 0.01 0.25 -0.01 0.00 -0.69 0.00 0.00 178.15 177.72 2b03 h ASN 97 N 0.10 0.92 -0.20 0.00 4.21 -1.08 0.21 115.58 119.74 2b03 h ASN 97 Ca 0.23 -0.15 -0.00 0.00 1.21 0.00 0.00 56.30 57.59 2b03 h ASN 97 Cb 0.34 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.29 2b03 h ASN 97 CO -0.39 0.85 0.12 0.00 -1.29 0.00 0.00 177.43 176.72 2b03 h ASP 99 N 0.25 0.83 -0.18 0.00 3.45 -0.40 -1.79 116.42 118.59 2b03 h ASP 99 Ca 0.07 -0.09 -0.01 0.00 0.43 0.00 0.00 57.03 57.44 2b03 h ASP 99 Cb 0.01 -0.21 -0.01 0.00 -0.56 0.00 0.00 39.33 38.56 2b03 h ASP 99 CO -0.01 0.68 0.09 -0.09 -1.57 0.00 0.00 179.24 178.34 2b03 h ARG 100 N 0.92 0.26 -0.69 3.56 2.43 -0.18 -0.42 114.38 120.26 2b03 h ARG 100 Ca 0.24 -0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2b03 h ARG 100 Cb 0.03 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.49 2b03 h ARG 100 CO -0.04 0.28 0.43 -0.91 -1.51 0.00 0.00 179.97 178.22 2b03 h ASN 101 N 0.17 0.70 -0.50 -3.80 -0.26 -0.71 -1.30 115.58 109.88 2b03 h ASN 101 Ca 0.06 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.79 2b03 h ASN 101 Cb 0.11 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.20 2b03 h ASN 101 CO -0.01 0.48 0.25 0.00 -1.06 0.00 0.00 177.43 177.09 2b03 h ALA 102 N 1.30 0.64 -0.85 -0.83 0.00 -1.10 0.56 119.26 118.98 2b03 h ALA 102 Ca 0.28 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.11 2b03 h ALA 102 Cb 0.03 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2b03 h ALA 102 CO -0.11 0.20 0.54 0.00 0.00 0.00 0.00 179.25 179.88 2b03 h ALA 103 N 1.09 1.12 -0.40 0.00 0.00 -0.37 0.20 119.26 120.90 2b03 h ALA 103 Ca 0.17 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 2b03 h ALA 103 Cb 0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2b03 h ALA 103 CO -0.02 0.36 -0.20 0.82 0.00 0.00 0.00 179.25 180.21 2b03 h ILE 104 N 1.04 1.28 -0.52 0.00 2.04 -0.85 -2.36 117.51 118.13 2b03 h ILE 104 Ca 0.34 -1.34 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2b03 h ILE 104 Cb 0.03 1.28 -0.02 0.00 -0.74 0.00 0.00 36.82 37.37 2b03 h ILE 104 CO -0.12 0.45 0.30 0.00 0.00 0.00 0.00 178.15 178.77 2b03 h PHE 106 N 0.70 0.34 0.00 0.00 0.04 -0.51 -2.22 116.94 115.29 2b03 h PHE 106 Ca 0.19 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.97 2b03 h PHE 106 Cb 0.02 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 38.07 2b03 h PHE 106 CO -0.02 0.18 -0.00 0.66 -0.60 0.00 0.00 178.31 178.53 2b03 h SER 107 N 0.38 0.00 0.15 2.17 4.64 -1.18 -2.49 113.55 117.23 2b03 h SER 107 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2b03 h SER 107 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2b03 h SER 107 CO -0.11 0.00 -1.36 0.29 -0.87 0.00 0.00 176.83 174.78 2b03 n LYS 108 N -3.56 0.33 -3.33 4.77 5.02 -0.89 -4.97 118.16 115.53 2b03 n LYS 108 Ca -0.03 -0.07 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 2b03 n LYS 108 Cb 0.08 -1.54 -0.06 0.00 -0.02 0.00 0.00 35.03 33.49 2b03 n LYS 108 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2b03 s ALA 109 N -3.25 3.49 0.47 7.82 0.00 -0.90 -5.07 121.76 124.32 2b03 s ALA 109 Ca 0.01 -0.17 -0.21 0.00 0.00 0.00 0.00 51.96 51.59 2b03 s ALA 109 Cb 0.15 -2.54 -0.09 0.00 0.00 0.00 0.00 23.12 20.64 2b03 s ALA 109 CO 0.86 0.45 1.04 -2.14 0.00 0.00 0.00 175.76 175.98 2b03 s PRO 110 N -2.83 3.86 -0.34 0.00 0.02 -1.26 -4.93 135.00 129.51 2b03 s PRO 110 Ca 0.49 1.40 -0.10 0.00 0.02 0.00 0.00 61.00 62.81 2b03 s PRO 110 Cb -0.11 -2.18 0.02 0.00 0.02 0.00 0.00 34.50 32.25 2b03 s PRO 110 CO 0.20 -0.39 0.17 -0.47 -0.33 0.00 0.00 177.00 176.18 2b03 s TYR 111 N -1.91 3.21 -0.51 6.54 6.14 -1.26 -4.48 117.35 125.08 2b03 s TYR 111 Ca 0.66 -0.90 -0.15 0.00 0.64 0.00 0.00 57.07 57.32 2b03 s TYR 111 Cb -0.18 -2.38 0.11 0.00 0.42 0.00 0.00 41.96 39.93 2b03 s TYR 111 CO 0.21 -0.59 0.44 -0.80 0.64 0.00 0.00 175.55 175.45 2b03 s ASN 112 N 1.55 6.10 0.58 4.32 0.01 -1.26 -4.96 114.94 121.28 2b03 s ASN 112 Ca 0.02 -1.64 0.30 0.00 -0.71 0.00 0.00 52.86 50.84 2b03 s ASN 112 Cb -0.18 -2.17 1.43 0.00 0.41 0.00 0.00 41.25 40.73 2b03 s ASN 112 CO 0.06 -0.76 1.80 0.11 -1.51 0.00 0.00 177.10 176.80 2b03 h LYS 113 N 8.78 0.00 0.00 -0.60 1.57 -2.00 -0.58 116.57 123.75 2b03 h LYS 113 Ca -0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2b03 h LYS 113 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2b03 h LYS 113 CO 0.96 0.00 0.00 -0.85 -0.57 0.00 0.00 179.45 178.99 2b03 n GLU 114 N -3.82 0.45 0.00 3.15 0.00 -1.26 -2.41 120.64 116.75 2b03 n GLU 114 Ca 0.15 0.04 0.07 0.00 0.00 0.00 0.00 57.16 57.42 2b03 n GLU 114 Cb 0.93 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.89 2b03 n GLU 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2b03 n HIS 115 N -1.09 0.00 -1.91 -1.84 8.25 -0.22 -4.84 115.22 113.57 2b03 n HIS 115 Ca 0.12 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.16 2b03 n HIS 115 Cb 0.09 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.17 2b03 n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2b03 s LYS 116 N -1.62 4.20 -1.47 -0.41 2.20 -1.01 -1.75 119.74 119.87 2b03 s LYS 116 Ca 0.14 2.42 -0.02 0.00 -0.36 0.00 0.00 55.97 58.15 2b03 s LYS 116 Cb 0.12 -3.09 0.01 0.00 -1.51 0.00 0.00 37.83 33.37 2b03 s LYS 116 CO 0.32 -0.54 0.33 0.09 -0.36 0.00 0.00 175.35 175.19 2b03 n ASN 117 N 2.67 -0.19 -4.77 1.43 3.02 0.49 -4.87 115.26 113.04 2b03 n ASN 117 Ca 0.09 -1.08 -0.40 0.00 -0.03 0.00 0.00 54.58 53.15 2b03 n ASN 117 Cb 0.39 -2.62 -0.01 0.00 -0.61 0.00 0.00 39.78 36.92 2b03 n ASN 117 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2b03 s LEU 118 N -7.10 4.32 -0.72 3.41 2.96 -1.01 -4.88 118.68 115.66 2b03 s LEU 118 Ca 0.06 2.72 -0.26 0.00 -0.22 0.00 0.00 54.13 56.44 2b03 s LEU 118 Cb -0.04 -3.76 -0.02 0.00 0.50 0.00 0.00 46.19 42.88 2b03 s LEU 118 CO 0.92 -0.71 1.77 -0.62 -1.32 0.00 0.00 176.35 176.39 2b03 s ASP 119 N -0.55 5.44 0.43 3.68 3.68 -1.26 -4.82 116.67 123.27 2b03 s ASP 119 Ca 0.53 -0.13 0.18 0.00 2.13 0.00 0.00 52.55 55.27 2b03 s ASP 119 Cb -0.40 -2.54 0.98 0.00 -1.45 0.00 0.00 42.92 39.51 2b03 s ASP 119 CO 0.52 -2.34 1.91 0.71 0.13 0.00 0.00 175.17 176.11 2b03 h THR 120 N 6.85 0.97 0.00 1.71 1.35 -1.89 -1.45 112.91 120.45 2b03 h THR 120 Ca -0.15 -0.99 -0.03 0.00 -0.55 0.00 0.00 66.41 64.69 2b03 h THR 120 Cb 1.10 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 69.08 2b03 h THR 120 CO 1.24 0.26 -0.15 0.50 -0.25 0.00 0.00 175.52 177.12 2b03 h LYS 121 N 0.00 0.00 0.00 4.72 3.64 -1.97 -2.41 116.57 120.55 2b03 h LYS 121 Ca -0.00 0.00 -0.35 0.00 -1.27 0.00 0.00 60.65 59.03 2b03 h LYS 121 Cb 0.55 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2b03 h LYS 121 CO 0.03 0.15 -1.92 1.17 -2.27 0.00 0.00 179.45 176.61 2b03 n LYS 122 N -3.35 0.58 -0.43 1.90 3.00 -0.90 -4.69 118.16 114.27 2b03 n LYS 122 Ca -0.00 0.41 0.08 0.00 -0.00 0.00 0.00 58.31 58.80 2b03 n LYS 122 Cb 0.36 -1.61 0.26 0.00 0.00 0.00 0.00 35.03 34.03 2b03 n LYS 122 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2b03 n TYR 123 N -4.34 0.99 -0.33 5.64 4.01 -0.60 -5.12 117.16 117.41 2b03 n TYR 123 Ca -0.44 -0.69 0.00 0.00 -0.16 0.00 0.00 57.90 56.61 2b03 n TYR 123 Cb 0.79 -0.22 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 2b03 n TYR 123 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40