#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vpk h MET 3 N 0.00 0.28 -0.46 -1.46 1.85 -2.05 0.26 114.93 113.35 2vpk h MET 3 Ca 0.00 -0.48 -0.08 0.00 -0.61 0.00 0.00 59.70 58.53 2vpk h MET 3 Cb 0.00 0.18 -0.02 0.00 0.43 0.00 0.00 31.60 32.19 2vpk h MET 3 CO 0.00 1.15 -0.03 0.66 -0.40 0.00 0.00 176.91 178.29 2vpk h SER 4 N 0.08 0.75 -0.35 1.39 4.64 -2.04 -1.65 113.55 116.36 2vpk h SER 4 Ca -0.29 -0.19 -0.06 0.00 -0.47 0.00 0.00 61.79 60.78 2vpk h SER 4 Cb 2.04 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.92 2vpk h SER 4 CO 0.16 0.83 -0.01 -0.74 -0.87 0.00 0.00 176.83 176.20 2vpk h HIS 5 N 0.72 0.69 0.53 4.77 2.76 -1.98 -0.62 115.15 122.03 2vpk h HIS 5 Ca 0.14 -0.13 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 2vpk h HIS 5 Cb 0.48 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 29.27 2vpk h HIS 5 CO 0.02 0.75 -0.26 1.25 -1.30 0.00 0.00 177.93 178.39 2vpk h HIS 6 N 0.44 -0.67 -0.00 5.26 -0.00 -0.78 -1.18 115.15 118.22 2vpk h HIS 6 Ca 0.10 -0.02 -0.16 0.00 -0.00 0.00 0.00 60.37 60.30 2vpk h HIS 6 Cb 0.48 0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.09 2vpk h HIS 6 CO 0.04 -0.38 -0.74 0.00 -0.00 0.00 0.00 177.93 176.85 2vpk h GLU 8 N 0.00 0.97 -0.17 0.00 4.57 -1.13 -1.62 114.58 117.21 2vpk h GLU 8 Ca -0.01 -0.31 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 2vpk h GLU 8 Cb 1.32 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 29.78 2vpk h GLU 8 CO 0.10 0.98 -0.07 1.25 -1.18 0.00 0.00 179.01 180.09 2vpk h HIS 9 N 0.89 -0.16 -0.54 0.92 2.76 -0.82 -1.30 115.15 116.90 2vpk h HIS 9 Ca 0.15 0.02 0.07 0.00 -2.20 0.00 0.00 60.37 58.41 2vpk h HIS 9 Cb 0.57 0.10 -0.06 0.00 1.55 0.00 0.00 27.41 29.57 2vpk h HIS 9 CO 0.04 -0.11 0.23 1.25 -1.30 0.00 0.00 177.93 178.03 2vpk h LEU 10 N -0.05 0.27 -0.25 0.26 5.85 -1.10 -1.19 115.31 119.11 2vpk h LEU 10 Ca 0.09 0.05 -0.11 0.00 0.84 0.00 0.00 57.88 58.76 2vpk h LEU 10 Cb 0.18 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 2vpk h LEU 10 CO -0.20 0.18 -0.26 0.25 -0.34 0.00 0.00 178.44 178.08 2vpk h LEU 11 N 0.43 0.66 -0.75 2.25 5.85 -0.97 0.12 115.31 122.90 2vpk h LEU 11 Ca 0.26 -0.48 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2vpk h LEU 11 Cb 0.25 -0.19 -0.06 0.00 0.37 0.00 0.00 40.66 41.03 2vpk h LEU 11 CO -0.23 1.00 0.45 -0.33 -0.34 0.00 0.00 178.44 178.99 2vpk h GLU 12 N 0.33 0.81 -0.40 1.25 3.07 -1.09 -0.21 114.58 118.34 2vpk h GLU 12 Ca 0.04 -0.05 -0.12 0.00 -0.50 0.00 0.00 59.36 58.73 2vpk h GLU 12 Cb 0.82 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 28.54 2vpk h GLU 12 CO 0.06 0.54 -0.22 0.00 -1.40 0.00 0.00 179.01 177.99 2vpk h ARG 13 N 0.83 0.86 -0.83 2.33 2.47 -0.63 -1.05 114.38 118.37 2vpk h ARG 13 Ca 0.33 -0.39 -0.04 0.00 -1.26 0.00 0.00 59.98 58.62 2vpk h ARG 13 Cb 0.15 -0.02 -0.04 0.00 -1.65 0.00 0.00 29.97 28.41 2vpk h ARG 13 CO -0.16 1.03 0.36 -0.07 0.56 0.00 0.00 179.97 181.68 2vpk h LEU 14 N 0.67 1.11 -0.89 3.04 3.38 -0.50 0.42 115.31 122.55 2vpk h LEU 14 Ca 0.09 -0.16 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2vpk h LEU 14 Cb 0.78 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2vpk h LEU 14 CO 0.06 0.96 -0.52 -1.13 0.09 0.00 0.00 178.44 177.91 2vpk h ASN 15 N 1.19 0.10 -0.38 -0.43 -1.24 -0.85 -1.64 115.58 112.32 2vpk h ASN 15 Ca 0.28 -0.05 -0.13 0.00 0.71 0.00 0.00 56.30 57.11 2vpk h ASN 15 Cb 0.18 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.19 2vpk h ASN 15 CO -0.03 0.60 -0.26 0.11 -1.29 0.00 0.00 177.43 176.56 2vpk h LYS 16 N 0.07 0.90 -0.58 6.67 1.79 -0.35 -1.27 116.57 123.81 2vpk h LYS 16 Ca -0.00 -0.40 -0.07 0.00 -2.18 0.00 0.00 60.65 57.99 2vpk h LYS 16 Cb 0.95 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.55 2vpk h LYS 16 CO 0.07 1.05 0.07 1.96 -1.08 0.00 0.00 179.45 181.53 2vpk h GLN 17 N 0.77 0.97 0.12 3.15 4.20 -0.76 -1.55 115.11 122.00 2vpk h GLN 17 Ca 0.09 -0.27 -0.01 0.00 0.06 0.00 0.00 58.65 58.52 2vpk h GLN 17 Cb 0.82 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.50 2vpk h GLN 17 CO 0.07 0.94 -0.06 -0.09 -0.67 0.00 0.00 178.83 179.02 2vpk h ARG 18 N 0.87 -0.15 -0.11 1.46 2.43 -1.13 0.18 114.38 117.94 2vpk h ARG 18 Ca 0.17 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 2vpk h ARG 18 Cb 0.45 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 2vpk h ARG 18 CO 0.02 0.05 0.10 0.93 -1.51 0.00 0.00 179.97 179.56 2vpk h GLU 19 N -0.33 0.00 -0.00 0.20 5.08 -1.19 -1.75 114.58 116.59 2vpk h GLU 19 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2vpk h GLU 19 Cb 0.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.52 2vpk h GLU 19 CO 0.03 0.00 -0.32 0.00 -1.00 0.00 0.00 179.01 177.72 2vpk n ALA 20 N -2.42 3.16 -1.51 3.43 0.00 -0.59 -4.94 120.51 117.64 2vpk n ALA 20 Ca -0.00 -0.32 -0.05 0.00 0.00 0.00 0.00 53.44 53.07 2vpk n ALA 20 Cb 0.21 -1.20 -0.01 0.00 0.00 0.00 0.00 19.45 18.45 2vpk n ALA 20 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vpk n GLY 21 N 1.42 0.52 3.66 0.00 0.00 -0.51 -5.01 105.19 105.26 2vpk n GLY 21 Ca 0.09 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.94 2vpk n GLY 21 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2vpk s PHE 22 N -2.19 3.34 -2.06 1.61 5.36 0.53 -4.31 117.98 120.26 2vpk s PHE 22 Ca 0.00 0.43 0.00 0.00 -0.96 0.00 0.00 56.93 56.40 2vpk s PHE 22 Cb 0.00 -2.42 0.00 0.00 -0.34 0.00 0.00 43.02 40.26 2vpk s PHE 22 CO 0.00 0.01 0.00 1.28 -1.46 0.00 0.00 175.22 175.05 2vpk n LEU 23 N 4.45 -1.66 -4.53 6.12 4.77 -1.26 -4.49 117.00 120.40 2vpk n LEU 23 Ca -0.11 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.78 2vpk n LEU 23 Cb 0.51 -2.88 -0.03 0.00 -2.33 0.00 0.00 43.42 38.69 2vpk n LEU 23 CO 0.38 -0.80 0.92 0.00 -1.33 0.00 0.00 177.39 176.56 2vpk n ASP 25 N 8.17 2.93 -4.10 0.00 5.75 -0.99 -4.75 116.55 123.56 2vpk n ASP 25 Ca 0.03 -1.98 -0.26 0.00 -0.01 0.00 0.00 54.79 52.57 2vpk n ASP 25 Cb 0.48 -0.34 -0.16 0.00 -1.03 0.00 0.00 41.12 40.06 2vpk n ASP 25 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2vpk s THR 27 N 0.28 2.28 -0.21 0.00 2.01 -1.23 -1.28 115.64 117.49 2vpk s THR 27 Ca -0.09 -1.08 -0.14 0.00 0.31 0.00 0.00 61.69 60.69 2vpk s THR 27 Cb -0.13 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.25 2vpk s THR 27 CO 0.03 0.36 0.31 -0.63 -0.69 0.00 0.00 174.62 174.01 2vpk s ILE 28 N 1.27 5.26 -0.14 1.82 1.09 -0.04 -0.83 121.20 129.62 2vpk s ILE 28 Ca 0.01 0.53 -0.02 0.00 -1.10 0.00 0.00 60.65 60.07 2vpk s ILE 28 Cb -0.15 -3.65 -0.02 0.00 -1.06 0.00 0.00 42.46 37.58 2vpk s ILE 28 CO -0.09 0.29 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.27 2vpk s VAL 29 N 1.17 3.52 -0.28 2.92 1.01 0.12 -0.42 120.40 128.44 2vpk s VAL 29 Ca 0.15 -0.49 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 2vpk s VAL 29 Cb -0.14 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.81 2vpk s VAL 29 CO 0.06 0.51 0.08 -0.63 0.00 0.00 0.00 175.10 175.12 2vpk s ILE 30 N 0.32 0.74 0.00 2.22 1.01 -0.29 -0.51 121.20 124.69 2vpk s ILE 30 Ca -0.07 -1.15 0.00 0.00 0.00 0.00 0.00 60.65 59.43 2vpk s ILE 30 Cb -0.15 -1.47 0.00 0.00 0.01 0.00 0.00 42.46 40.85 2vpk s ILE 30 CO 0.04 -0.55 0.00 0.61 0.00 0.00 0.00 174.94 175.04 2vpk n GLY 31 N 4.92 3.67 1.54 6.18 0.00 -1.26 -1.44 105.19 118.80 2vpk n GLY 31 Ca -0.04 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.29 2vpk n GLY 31 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2vpk n GLU 32 N 13.34 3.52 -4.30 1.61 -0.58 -1.26 -4.84 120.64 128.14 2vpk n GLU 32 Ca 0.00 -2.78 -0.35 0.00 -0.42 0.00 0.00 57.16 53.61 2vpk n GLU 32 Cb 0.00 -1.84 -0.09 0.00 -0.57 0.00 0.00 31.44 28.94 2vpk n GLU 32 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2vpk s PHE 33 N -1.71 3.23 -0.02 -0.32 0.08 -0.52 -5.12 117.98 113.60 2vpk s PHE 33 Ca 0.50 0.24 0.04 0.00 0.12 0.00 0.00 56.93 57.83 2vpk s PHE 33 Cb 0.31 -1.81 -0.01 0.00 -0.57 0.00 0.00 43.02 40.94 2vpk s PHE 33 CO 0.26 0.51 -0.14 -0.65 -0.10 0.00 0.00 175.22 175.09 2vpk s GLN 34 N -0.89 1.20 -0.07 0.44 -0.21 -1.26 -1.14 119.66 117.73 2vpk s GLN 34 Ca 0.13 -0.50 0.03 0.00 0.02 0.00 0.00 55.36 55.04 2vpk s GLN 34 Cb -0.11 -1.14 0.01 0.00 1.00 0.00 0.00 33.01 32.76 2vpk s GLN 34 CO 0.03 0.29 -0.17 -0.06 -2.12 0.00 0.00 175.29 173.25 2vpk s PHE 35 N -0.26 1.82 -0.05 0.91 0.08 0.44 -4.97 117.98 115.95 2vpk s PHE 35 Ca 0.04 -0.66 -0.16 0.00 0.12 0.00 0.00 56.93 56.28 2vpk s PHE 35 Cb -0.06 -1.26 -0.05 0.00 -0.57 0.00 0.00 43.02 41.07 2vpk s PHE 35 CO -0.00 -0.28 0.41 -1.59 -0.10 0.00 0.00 175.22 173.66 2vpk s LYS 36 N 0.41 4.07 0.34 0.44 -2.85 -1.26 -0.86 119.74 120.03 2vpk s LYS 36 Ca -0.13 0.39 -0.12 0.00 -1.00 0.00 0.00 55.97 55.10 2vpk s LYS 36 Cb -0.15 -3.30 0.05 0.00 -2.06 0.00 0.00 37.83 32.37 2vpk s LYS 36 CO 0.05 0.50 0.68 0.00 0.10 0.00 0.00 175.35 176.67 2vpk n ALA 37 N 2.52 -1.50 -2.85 0.59 0.00 -0.41 -4.95 120.51 113.92 2vpk n ALA 37 Ca -0.12 -1.13 -0.35 0.00 0.00 0.00 0.00 53.44 51.85 2vpk n ALA 37 Cb 0.52 0.90 -0.10 0.00 0.00 0.00 0.00 19.45 20.77 2vpk n ALA 37 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2vpk s HIS 38 N -3.02 3.21 0.40 0.00 3.76 -1.26 -1.72 115.29 116.66 2vpk s HIS 38 Ca 0.14 -0.01 0.07 0.00 -0.15 0.00 0.00 55.06 55.11 2vpk s HIS 38 Cb -0.04 -2.11 0.83 0.00 1.11 0.00 0.00 32.58 32.37 2vpk s HIS 38 CO 0.11 0.06 2.02 0.00 -0.85 0.00 0.00 174.74 176.07 2vpk h ARG 39 N 6.98 0.47 -0.00 1.40 3.08 -1.90 -1.73 114.38 122.68 2vpk h ARG 39 Ca -0.37 -0.05 -0.13 0.00 0.07 0.00 0.00 59.98 59.51 2vpk h ARG 39 Cb 1.17 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 31.11 2vpk h ARG 39 CO 0.67 0.37 -0.60 -2.95 -1.07 0.00 0.00 179.97 176.40 2vpk h ASN 40 N 0.48 0.00 -0.01 7.04 -1.07 -1.99 -1.08 115.58 118.96 2vpk h ASN 40 Ca 0.12 -0.00 -0.05 0.00 0.07 0.00 0.00 56.30 56.45 2vpk h ASN 40 Cb 0.05 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.31 2vpk h ASN 40 CO -0.02 0.60 -0.17 0.58 0.07 0.00 0.00 177.43 178.49 2vpk h VAL 41 N 0.00 1.55 -0.80 6.14 2.07 -1.86 -2.50 116.25 120.85 2vpk h VAL 41 Ca -0.01 -1.87 0.05 0.00 0.82 0.00 0.00 66.70 65.69 2vpk h VAL 41 Cb 1.06 2.75 -0.05 0.00 -1.52 0.00 0.00 31.29 33.52 2vpk h VAL 41 CO 0.08 0.51 0.50 -0.07 0.02 0.00 0.00 177.57 178.60 2vpk h LEU 42 N -0.56 0.80 -1.70 2.57 3.38 -1.28 -1.56 115.31 116.96 2vpk h LEU 42 Ca -0.02 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2vpk h LEU 42 Cb 0.92 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2vpk h LEU 42 CO 0.03 0.53 -0.18 0.00 0.09 0.00 0.00 178.44 178.91 2vpk h ALA 43 N 1.36 1.50 0.00 1.53 0.00 -1.19 0.16 119.26 122.63 2vpk h ALA 43 Ca 0.34 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 2vpk h ALA 43 Cb 0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2vpk h ALA 43 CO -0.15 0.23 -0.03 0.77 0.00 0.00 0.00 179.25 180.07 2vpk h SER 44 N 0.00 0.00 0.00 0.00 0.02 -0.81 -3.31 113.55 109.45 2vpk h SER 44 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2vpk h SER 44 Cb 0.37 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.91 2vpk h SER 44 CO 0.02 0.03 -0.58 0.49 -1.14 0.00 0.00 176.83 175.65 2vpk n PHE 45 N -3.15 0.00 -4.02 3.45 3.72 -0.91 -5.02 117.46 111.54 2vpk n PHE 45 Ca -0.00 0.00 -0.30 0.00 -0.05 0.00 0.00 57.45 57.09 2vpk n PHE 45 Cb 0.27 0.00 -0.16 0.00 -0.94 0.00 0.00 39.48 38.65 2vpk n PHE 45 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2vpk s SER 46 N -1.39 3.03 0.45 4.37 0.15 -0.00 -4.28 113.70 116.03 2vpk s SER 46 Ca 0.00 -0.68 0.25 0.00 0.70 0.00 0.00 55.95 56.22 2vpk s SER 46 Cb 0.00 -1.22 0.94 0.00 -1.71 0.00 0.00 66.02 64.03 2vpk s SER 46 CO 0.00 -0.09 1.83 -0.33 1.20 0.00 0.00 173.24 175.85 2vpk h GLU 47 N 8.01 0.00 0.16 5.44 5.08 -1.52 -1.01 114.58 130.75 2vpk h GLU 47 Ca -0.34 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2vpk h GLU 47 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2vpk h GLU 47 CO 0.51 0.21 -0.08 -0.92 -1.00 0.00 0.00 179.01 177.73 2vpk h TYR 48 N 0.00 -0.20 -0.43 4.33 3.20 -1.78 -0.73 116.97 121.36 2vpk h TYR 48 Ca -0.00 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.74 2vpk h TYR 48 Cb 0.74 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 2vpk h TYR 48 CO 0.00 0.09 -0.23 0.74 -1.64 0.00 0.00 178.16 177.12 2vpk h PHE 49 N -0.49 1.01 -0.93 -3.82 0.04 -1.77 -1.89 116.94 109.09 2vpk h PHE 49 Ca -0.02 -0.24 0.03 0.00 2.80 0.00 0.00 57.97 60.54 2vpk h PHE 49 Cb 0.38 -0.24 -0.05 0.00 2.20 0.00 0.00 35.95 38.24 2vpk h PHE 49 CO 0.01 1.02 0.60 0.78 -0.60 0.00 0.00 178.31 180.13 2vpk h GLY 50 N 0.92 1.35 1.39 -1.45 0.00 -1.16 -1.16 103.07 102.96 2vpk h GLY 50 Ca 0.10 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.84 2vpk h GLY 50 CO 0.06 0.40 -0.30 0.00 0.00 0.00 0.00 176.54 176.70 2vpk h ALA 51 N 1.38 0.86 -0.45 3.60 0.00 -0.81 -2.68 119.26 121.14 2vpk h ALA 51 Ca 0.37 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2vpk h ALA 51 Cb -0.01 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2vpk h ALA 51 CO -0.12 0.63 0.29 0.82 0.00 0.00 0.00 179.25 180.88 2vpk h ILE 52 N 0.59 1.09 0.00 0.00 2.04 -0.51 -3.20 117.51 117.52 2vpk h ILE 52 Ca 0.07 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2vpk h ILE 52 Cb 0.81 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 2vpk h ILE 52 CO 0.07 0.11 0.00 -1.22 0.00 0.00 0.00 178.15 177.10 2vpk n TYR 53 N -4.80 0.67 1.31 1.37 4.01 -0.52 -0.47 117.16 118.73 2vpk n TYR 53 Ca 0.02 0.20 0.00 0.00 -0.16 0.00 0.00 57.90 57.96 2vpk n TYR 53 Cb 0.04 -0.83 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 2vpk n TYR 53 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2vpk n ARG 54 N -2.06 0.77 0.00 -0.72 1.74 -1.08 -4.35 116.66 110.96 2vpk n ARG 54 Ca 0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.14 2vpk n ARG 54 Cb 0.39 -1.11 0.00 0.00 -1.02 0.00 0.00 32.46 30.71 2vpk n ARG 54 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2vpk n SER 55 N -0.32 0.00 -3.58 0.55 7.64 0.38 -5.09 113.62 113.20 2vpk n SER 55 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2vpk n SER 55 Cb 0.06 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.21 2vpk n SER 55 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2vpk s THR 56 N -0.05 0.05 -1.52 0.44 -1.32 -0.99 -5.04 115.64 107.21 2vpk s THR 56 Ca 0.00 -0.37 0.13 0.00 -1.21 0.00 0.00 61.69 60.24 2vpk s THR 56 Cb 0.00 -1.08 0.19 0.00 -1.51 0.00 0.00 72.50 70.10 2vpk s THR 56 CO 0.00 -0.21 1.04 -1.20 -2.21 0.00 0.00 174.62 172.05 2vpk n SER 57 N -0.09 2.42 -4.73 8.08 7.64 -1.26 -4.62 113.62 121.06 2vpk n SER 57 Ca -0.17 -1.69 -0.42 0.00 1.01 0.00 0.00 58.87 57.60 2vpk n SER 57 Cb 0.63 -0.08 -0.02 0.00 -1.01 0.00 0.00 64.21 63.73 2vpk n SER 57 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2vpk n GLU 58 N 0.75 2.69 -0.04 1.43 4.07 -1.26 -4.92 120.64 123.37 2vpk n GLU 58 Ca 0.10 0.96 -0.14 0.00 -0.06 0.00 0.00 57.16 58.02 2vpk n GLU 58 Cb 0.38 -2.76 -0.11 0.00 -0.06 0.00 0.00 31.44 28.88 2vpk n GLU 58 CO 0.00 0.00 0.00 -0.91 -0.06 0.00 0.00 177.13 176.16 2vpk h ASN 59 N 5.44 0.03 -2.56 4.31 2.35 -1.94 -3.45 115.58 119.77 2vpk h ASN 59 Ca -0.46 -0.72 -0.52 0.00 -0.55 0.00 0.00 56.30 54.05 2vpk h ASN 59 Cb 1.22 -0.01 0.04 0.00 0.05 0.00 0.00 38.32 39.62 2vpk h ASN 59 CO 0.85 0.74 1.09 0.20 -1.65 0.00 0.00 177.43 178.66 2vpk s ASN 60 N -5.97 6.41 -0.22 5.81 0.01 -1.26 -3.56 114.94 116.16 2vpk s ASN 60 Ca -0.17 2.79 -0.01 0.00 -0.71 0.00 0.00 52.86 54.76 2vpk s ASN 60 Cb -0.00 -2.57 0.02 0.00 0.41 0.00 0.00 41.25 39.10 2vpk s ASN 60 CO 0.69 -1.00 -0.10 -0.69 -1.51 0.00 0.00 177.10 174.49 2vpk s VAL 61 N 2.39 2.71 -0.33 1.60 1.01 -0.01 -4.95 120.40 122.83 2vpk s VAL 61 Ca 0.80 -0.91 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 2vpk s VAL 61 Cb -0.47 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 2vpk s VAL 61 CO 0.35 0.34 0.42 -0.36 0.00 0.00 0.00 175.10 175.86 2vpk s PHE 62 N 1.34 3.21 0.23 5.22 0.08 -1.26 -0.70 117.98 126.09 2vpk s PHE 62 Ca 0.02 0.16 -0.09 0.00 0.12 0.00 0.00 56.93 57.14 2vpk s PHE 62 Cb -0.15 -2.74 -0.07 0.00 -0.57 0.00 0.00 43.02 39.48 2vpk s PHE 62 CO -0.07 -0.42 0.55 -0.51 -0.10 0.00 0.00 175.22 174.67 2vpk s LEU 63 N 2.17 4.16 -0.38 -0.37 1.43 0.33 -4.95 118.68 121.06 2vpk s LEU 63 Ca 0.15 0.91 -0.29 0.00 -1.03 0.00 0.00 54.13 53.88 2vpk s LEU 63 Cb -0.16 -3.68 -0.00 0.00 0.03 0.00 0.00 46.19 42.38 2vpk s LEU 63 CO 0.12 -0.08 1.56 -0.62 0.23 0.00 0.00 176.35 177.56 2vpk s ASP 64 N -2.41 6.16 0.50 2.29 -1.08 -1.26 -4.55 116.67 116.32 2vpk s ASP 64 Ca 0.47 1.00 0.33 0.00 -0.52 0.00 0.00 52.55 53.83 2vpk s ASP 64 Cb -0.11 -2.53 1.45 0.00 -1.46 0.00 0.00 42.92 40.26 2vpk s ASP 64 CO 0.22 -1.54 1.97 -0.61 0.52 0.00 0.00 175.17 175.72 2vpk h GLN 65 N 11.54 0.00 0.00 4.34 4.15 -1.93 0.13 115.11 133.35 2vpk h GLN 65 Ca -0.30 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.12 2vpk h GLN 65 Cb 1.13 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.82 2vpk h GLN 65 CO 1.07 0.00 0.00 -1.13 -1.93 0.00 0.00 178.83 176.84 2vpk n SER 66 N -2.86 0.00 -0.00 -0.69 3.41 -1.26 -3.54 113.62 108.67 2vpk n SER 66 Ca 0.00 -0.27 0.01 0.00 -0.26 0.00 0.00 58.87 58.35 2vpk n SER 66 Cb 0.24 -0.22 -0.01 0.00 -0.26 0.00 0.00 64.21 63.96 2vpk n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2vpk n GLN 67 N -1.22 4.57 -3.69 4.33 1.13 -0.03 -5.02 117.38 117.46 2vpk n GLN 67 Ca 0.14 -0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 55.09 2vpk n GLN 67 Cb 0.18 -0.70 -0.11 0.00 0.11 0.00 0.00 30.24 29.72 2vpk n GLN 67 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2vpk s VAL 68 N -1.41 -0.25 0.20 5.09 1.01 -0.80 -4.61 120.40 119.62 2vpk s VAL 68 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 2vpk s VAL 68 Cb 0.01 -0.55 -0.07 0.00 0.00 0.00 0.00 36.38 35.77 2vpk s VAL 68 CO 0.05 0.06 0.59 -0.54 0.00 0.00 0.00 175.10 175.27 2vpk s LYS 69 N 1.84 3.97 0.17 2.72 -0.14 -1.26 -4.42 119.74 122.61 2vpk s LYS 69 Ca -0.06 0.50 -0.12 0.00 -1.36 0.00 0.00 55.97 54.93 2vpk s LYS 69 Cb -0.10 -2.79 0.06 0.00 -1.68 0.00 0.00 37.83 33.31 2vpk s LYS 69 CO -0.11 0.39 1.68 0.00 -0.76 0.00 0.00 175.35 176.54 2vpk h ALA 70 N 3.13 0.75 -0.62 5.17 0.00 -1.93 -1.51 119.26 124.24 2vpk h ALA 70 Ca -0.48 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.17 2vpk h ALA 70 Cb 1.18 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 2vpk h ALA 70 CO 0.67 0.44 0.21 0.22 0.00 0.00 0.00 179.25 180.78 2vpk h ASP 71 N 0.81 0.86 -0.43 0.00 3.58 -1.99 0.21 116.42 119.45 2vpk h ASP 71 Ca 0.18 -0.14 0.02 0.00 0.42 0.00 0.00 57.03 57.51 2vpk h ASP 71 Cb 0.34 -0.22 -0.03 0.00 1.72 0.00 0.00 39.33 41.14 2vpk h ASP 71 CO 0.00 0.80 0.26 1.23 -2.88 0.00 0.00 179.24 178.64 2vpk h GLY 72 N 1.01 0.60 1.63 -0.78 0.00 -1.69 -2.81 103.07 101.04 2vpk h GLY 72 Ca 0.20 -0.19 -0.13 0.00 0.00 0.00 0.00 47.33 47.22 2vpk h GLY 72 CO -0.01 0.17 -0.43 -2.75 0.00 0.00 0.00 176.54 173.52 2vpk h PHE 73 N 0.52 0.48 -0.70 5.60 3.57 -0.73 -1.98 116.94 123.71 2vpk h PHE 73 Ca 0.17 -0.14 0.07 0.00 3.53 0.00 0.00 57.97 61.60 2vpk h PHE 73 Cb 0.00 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 2vpk h PHE 73 CO -0.07 0.77 0.37 0.37 -2.23 0.00 0.00 178.31 177.53 2vpk h GLN 74 N 0.33 0.64 -0.00 1.11 5.75 -0.85 0.97 115.11 123.06 2vpk h GLN 74 Ca 0.03 -0.04 -0.17 0.00 -0.15 0.00 0.00 58.65 58.31 2vpk h GLN 74 Cb 0.90 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.28 2vpk h GLN 74 CO 0.08 0.43 -0.81 0.87 -2.65 0.00 0.00 178.83 176.74 2vpk h LYS 75 N 0.66 0.06 -0.38 1.69 1.79 -1.21 -1.86 116.57 117.33 2vpk h LYS 75 Ca 0.33 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.58 2vpk h LYS 75 Cb 0.27 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 30.93 2vpk h LYS 75 CO -0.22 0.83 -0.32 1.25 -1.08 0.00 0.00 179.45 179.91 2vpk h LEU 76 N 0.04 0.95 -0.22 2.94 5.85 -0.85 -1.10 115.31 122.92 2vpk h LEU 76 Ca -0.02 -0.45 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 2vpk h LEU 76 Cb 1.42 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 42.17 2vpk h LEU 76 CO 0.11 1.20 -0.02 0.25 -0.34 0.00 0.00 178.44 179.64 2vpk h LEU 77 N 0.71 0.40 -0.56 2.25 5.85 -0.71 -1.54 115.31 121.72 2vpk h LEU 77 Ca 0.07 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.50 2vpk h LEU 77 Cb 0.91 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 2vpk h LEU 77 CO 0.08 0.64 0.30 -0.33 -0.34 0.00 0.00 178.44 178.79 2vpk h GLU 78 N 0.15 0.55 -0.54 1.25 5.08 -1.31 -1.04 114.58 118.73 2vpk h GLU 78 Ca 0.06 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 2vpk h GLU 78 Cb 0.45 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 2vpk h GLU 78 CO 0.02 0.37 0.20 0.35 -1.00 0.00 0.00 179.01 178.95 2vpk h PHE 79 N 0.57 0.36 -0.96 4.33 3.57 -1.06 0.83 116.94 124.58 2vpk h PHE 79 Ca 0.24 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.78 2vpk h PHE 79 Cb 0.13 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 2vpk h PHE 79 CO -0.09 0.12 0.63 0.82 -2.23 0.00 0.00 178.31 177.56 2vpk h ILE 80 N 0.39 1.25 -0.00 1.41 2.04 -0.42 0.17 117.51 122.35 2vpk h ILE 80 Ca 0.26 -0.46 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2vpk h ILE 80 Cb 0.28 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.19 2vpk h ILE 80 CO -0.25 0.24 -0.45 -1.22 0.00 0.00 0.00 178.15 176.46 2vpk n TYR 81 N -4.38 0.00 0.00 1.37 4.02 -0.47 -4.41 117.16 113.28 2vpk n TYR 81 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 2vpk n TYR 81 Cb 0.02 -0.19 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 2vpk n TYR 81 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 176.86 176.10 2vpk n THR 82 N -1.22 0.00 -0.74 -0.72 -2.24 0.25 -4.59 114.28 105.02 2vpk n THR 82 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 2vpk n THR 82 Cb 0.34 -0.13 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2vpk n THR 82 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2vpk n GLY 83 N 2.02 0.79 3.62 3.38 0.00 0.59 -5.05 105.19 110.54 2vpk n GLY 83 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2vpk n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2vpk s THR 84 N -2.98 4.62 -0.30 2.61 2.01 -1.25 -5.02 115.64 115.33 2vpk s THR 84 Ca 0.00 -0.10 -0.02 0.00 0.31 0.00 0.00 61.69 61.88 2vpk s THR 84 Cb 0.00 -3.07 0.10 0.00 0.01 0.00 0.00 72.50 69.55 2vpk s THR 84 CO 0.00 0.48 0.12 -0.22 -0.69 0.00 0.00 174.62 174.30 2vpk s LEU 85 N 0.27 1.38 -0.50 4.42 2.96 -1.26 -3.51 118.68 122.43 2vpk s LEU 85 Ca 0.02 -1.48 -0.14 0.00 -0.22 0.00 0.00 54.13 52.31 2vpk s LEU 85 Cb -0.13 -0.60 0.11 0.00 0.50 0.00 0.00 46.19 46.07 2vpk s LEU 85 CO 0.01 -0.42 0.43 0.20 -1.32 0.00 0.00 176.35 175.24 2vpk s ASN 86 N 1.84 6.04 -0.22 3.68 0.01 -1.26 -5.04 114.94 119.98 2vpk s ASN 86 Ca 0.10 -1.71 -0.10 0.00 -0.71 0.00 0.00 52.86 50.44 2vpk s ASN 86 Cb -0.17 -2.15 -0.05 0.00 0.41 0.00 0.00 41.25 39.30 2vpk s ASN 86 CO -0.30 -0.76 0.13 -0.76 -1.51 0.00 0.00 177.10 173.90 2vpk s LEU 87 N 1.54 4.04 0.17 0.60 1.43 -1.26 -5.02 118.68 120.19 2vpk s LEU 87 Ca 0.04 0.11 0.02 0.00 -1.03 0.00 0.00 54.13 53.27 2vpk s LEU 87 Cb -0.28 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 43.83 2vpk s LEU 87 CO 0.03 0.10 -0.02 -1.81 0.23 0.00 0.00 176.35 174.88 2vpk s ASP 88 N 0.85 1.39 0.38 2.29 1.01 -1.26 -4.99 116.67 116.35 2vpk s ASP 88 Ca 0.07 -1.15 0.25 0.00 0.71 0.00 0.00 52.55 52.43 2vpk s ASP 88 Cb -0.13 0.08 1.34 0.00 1.01 0.00 0.00 42.92 45.22 2vpk s ASP 88 CO 0.03 -0.52 1.48 -1.20 0.21 0.00 0.00 175.17 175.16 2vpk n SER 89 N -0.25 0.26 0.12 0.27 7.64 -1.26 -1.07 113.62 119.33 2vpk n SER 89 Ca -0.07 1.43 -0.22 0.00 1.01 0.00 0.00 58.87 61.02 2vpk n SER 89 Cb 0.63 -0.70 -0.15 0.00 -1.01 0.00 0.00 64.21 62.98 2vpk n SER 89 CO 0.00 0.00 0.00 -0.25 -3.01 0.00 0.00 175.04 171.78 2vpk h TRP 90 N 0.00 0.78 0.00 1.43 2.91 -2.02 -3.37 115.95 115.68 2vpk h TRP 90 Ca 0.81 -0.57 0.00 0.00 1.13 0.00 0.00 58.89 60.27 2vpk h TRP 90 Cb 2.40 -0.03 0.00 0.00 -0.51 0.00 0.00 29.16 31.02 2vpk h TRP 90 CO -0.01 1.49 -1.02 0.27 -1.03 0.00 0.00 178.44 178.13 2vpk n ASN 91 N -3.63 0.62 -0.21 2.65 0.23 -0.23 -4.50 115.26 110.19 2vpk n ASN 91 Ca -0.15 -0.09 -0.01 0.00 -0.53 0.00 0.00 54.58 53.79 2vpk n ASN 91 Cb 1.08 0.73 0.20 0.00 -2.08 0.00 0.00 39.78 39.71 2vpk n ASN 91 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 2vpk h VAL 92 N 0.00 1.21 -0.48 3.53 3.04 -1.48 -1.36 116.25 120.72 2vpk h VAL 92 Ca 0.00 -0.56 -0.06 0.00 -1.01 0.00 0.00 66.70 65.07 2vpk h VAL 92 Cb 0.78 0.28 -0.02 0.00 -2.01 0.00 0.00 31.29 30.32 2vpk h VAL 92 CO 0.00 0.24 0.07 0.11 -1.01 0.00 0.00 177.57 176.98 2vpk h LYS 93 N 0.98 0.80 -0.32 4.17 1.79 -1.83 0.11 116.57 122.28 2vpk h LYS 93 Ca 0.25 -0.22 -0.18 0.00 -2.18 0.00 0.00 60.65 58.32 2vpk h LYS 93 Cb 0.05 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 2vpk h LYS 93 CO -0.04 0.81 -0.50 0.93 -1.08 0.00 0.00 179.45 179.58 2vpk h GLU 94 N 0.67 0.90 -0.12 3.15 3.07 -1.76 0.46 114.58 120.95 2vpk h GLU 94 Ca 0.14 -0.54 -0.03 0.00 -0.50 0.00 0.00 59.36 58.44 2vpk h GLU 94 Cb 0.41 0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2vpk h GLU 94 CO 0.01 1.18 -0.02 0.82 -1.40 0.00 0.00 179.01 179.60 2vpk h ILE 95 N 0.70 1.28 -0.54 3.13 2.04 -1.12 0.56 117.51 123.55 2vpk h ILE 95 Ca 0.03 -0.94 0.11 0.00 1.00 0.00 0.00 64.86 65.06 2vpk h ILE 95 Cb 1.11 1.66 -0.10 0.00 -0.74 0.00 0.00 36.82 38.75 2vpk h ILE 95 CO 0.11 0.27 -0.08 -0.74 0.00 0.00 0.00 178.15 177.71 2vpk h HIS 96 N -0.08 -0.19 -0.52 1.37 2.76 -0.73 -0.63 115.15 117.13 2vpk h HIS 96 Ca 0.03 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2vpk h HIS 96 Cb 0.43 0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.53 2vpk h HIS 96 CO 0.05 -0.20 0.32 0.37 -1.30 0.00 0.00 177.93 177.17 2vpk h GLN 97 N 0.04 0.71 -0.81 5.26 4.15 -0.51 0.51 115.11 124.45 2vpk h GLN 97 Ca 0.27 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.59 2vpk h GLN 97 Cb 0.41 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.92 2vpk h GLN 97 CO -0.52 0.51 0.39 0.00 -1.93 0.00 0.00 178.83 177.28 2vpk h ALA 98 N 1.16 1.05 0.00 3.38 0.00 -0.54 -1.50 119.26 122.81 2vpk h ALA 98 Ca 0.19 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2vpk h ALA 98 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2vpk h ALA 98 CO -0.04 0.61 -0.73 0.00 0.00 0.00 0.00 179.25 179.10 2vpk h ALA 99 N 1.20 0.64 0.10 0.00 0.00 -0.50 -0.92 119.26 119.78 2vpk h ALA 99 Ca 0.28 -0.66 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 2vpk h ALA 99 Cb 0.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2vpk h ALA 99 CO -0.03 0.91 -0.05 0.22 0.00 0.00 0.00 179.25 180.30 2vpk h ASP 100 N 0.00 -0.11 -0.63 0.00 1.82 -0.81 0.33 116.42 117.02 2vpk h ASP 100 Ca -0.01 -0.45 0.05 0.00 -0.39 0.00 0.00 57.03 56.23 2vpk h ASP 100 Cb 1.42 0.03 -0.05 0.00 0.68 0.00 0.00 39.33 41.41 2vpk h ASP 100 CO 0.09 0.44 0.36 0.22 -1.61 0.00 0.00 179.24 178.74 2vpk h TYR 101 N -0.71 0.67 -0.24 0.28 3.20 -1.28 -2.32 116.97 116.57 2vpk h TYR 101 Ca -0.01 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2vpk h TYR 101 Cb 0.55 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.61 2vpk h TYR 101 CO 0.10 0.34 0.00 1.28 -1.64 0.00 0.00 178.16 178.24 2vpk n LEU 102 N -4.77 2.06 -3.70 2.82 4.77 -0.35 -4.86 117.00 112.97 2vpk n LEU 102 Ca 0.07 -0.90 -0.32 0.00 -0.03 0.00 0.00 56.01 54.83 2vpk n LEU 102 Cb 0.14 -0.16 0.04 0.00 -2.33 0.00 0.00 43.42 41.11 2vpk n LEU 102 CO 0.30 0.45 -0.07 0.29 -1.33 0.00 0.00 177.39 177.03 2vpk n LYS 103 N 0.59 -1.15 -3.56 3.23 5.02 0.88 -3.25 118.16 119.91 2vpk n LYS 103 Ca 0.16 0.44 -0.40 0.00 -2.02 0.00 0.00 58.31 56.50 2vpk n LYS 103 Cb 0.38 -4.02 -0.06 0.00 -0.02 0.00 0.00 35.03 31.31 2vpk n LYS 103 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2vpk s VAL 104 N -3.46 4.61 0.17 -0.18 1.01 0.43 -2.30 120.40 120.69 2vpk s VAL 104 Ca 0.47 -3.20 0.28 0.00 0.00 0.00 0.00 61.98 59.54 2vpk s VAL 104 Cb -0.17 -3.88 0.30 0.00 0.00 0.00 0.00 36.38 32.62 2vpk s VAL 104 CO 0.87 -1.01 1.92 -0.33 0.00 0.00 0.00 175.10 176.54 2vpk h GLU 105 N 6.82 0.00 -0.35 2.72 5.08 -1.82 -1.74 114.58 125.30 2vpk h GLU 105 Ca 0.09 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 2vpk h GLU 105 Cb 0.92 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 2vpk h GLU 105 CO 0.80 0.13 0.04 0.93 -1.00 0.00 0.00 179.01 179.90 2vpk h GLU 106 N 0.00 0.14 0.02 2.33 5.08 -1.93 -2.76 114.58 117.46 2vpk h GLU 106 Ca -0.00 -0.01 -0.27 0.00 -1.00 0.00 0.00 59.36 58.08 2vpk h GLU 106 Cb 0.60 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.84 2vpk h GLU 106 CO 0.02 0.09 -1.06 0.28 -1.00 0.00 0.00 179.01 177.34 2vpk h VAL 107 N 0.14 1.29 -0.34 3.13 2.07 -1.72 -2.70 116.25 118.11 2vpk h VAL 107 Ca 0.17 -2.30 0.06 0.00 0.82 0.00 0.00 66.70 65.45 2vpk h VAL 107 Cb 0.21 2.43 -0.06 0.00 -1.52 0.00 0.00 31.29 32.35 2vpk h VAL 107 CO -0.25 0.71 -0.03 0.58 0.02 0.00 0.00 177.57 178.60 2vpk h VAL 108 N 0.36 0.71 -0.51 2.57 2.07 -1.37 -0.43 116.25 119.65 2vpk h VAL 108 Ca -0.13 -0.02 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 2vpk h VAL 108 Cb 1.72 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 2vpk h VAL 108 CO 0.21 0.01 0.01 0.71 0.02 0.00 0.00 177.57 178.53 2vpk h THR 109 N 0.06 1.26 0.00 2.57 1.35 -1.50 -2.16 112.91 114.50 2vpk h THR 109 Ca 0.17 -1.07 -0.01 0.00 -0.55 0.00 0.00 66.41 64.95 2vpk h THR 109 Cb 0.24 0.94 -0.00 0.00 -1.73 0.00 0.00 68.15 67.60 2vpk h THR 109 CO -0.31 0.38 -0.03 0.11 -0.25 0.00 0.00 175.52 175.42 2vpk h LYS 110 N 0.76 0.00 0.05 4.72 1.57 -1.05 -1.08 116.57 121.53 2vpk h LYS 110 Ca 0.15 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.84 2vpk h LYS 110 Cb 0.51 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.83 2vpk h LYS 110 CO 0.02 0.03 -0.38 0.00 -0.57 0.00 0.00 179.45 178.55 2vpk h LYS 112 N -0.58 0.00 0.39 0.00 2.10 -1.23 0.33 116.57 117.58 2vpk h LYS 112 Ca -0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 2vpk h LYS 112 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2vpk h LYS 112 CO 0.07 0.53 -0.22 0.82 -2.00 0.00 0.00 179.45 178.65 2vpk h ILE 113 N 0.00 0.55 -0.62 0.07 2.04 -1.30 -2.97 117.51 115.27 2vpk h ILE 113 Ca -0.01 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.92 2vpk h ILE 113 Cb 1.15 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 2vpk h ILE 113 CO 0.07 0.00 0.32 0.50 0.00 0.00 0.00 178.15 179.04 2vpk h LYS 114 N -0.57 0.57 0.00 2.37 1.63 -0.81 -3.12 116.57 116.63 2vpk h LYS 114 Ca -0.05 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 2vpk h LYS 114 Cb 0.46 -0.13 -0.00 0.00 -0.60 0.00 0.00 32.23 31.96 2vpk h LYS 114 CO 0.06 0.38 -0.01 0.52 -3.45 0.00 0.00 179.45 176.94 2vpk h MET 115 N 0.59 0.00 0.00 1.90 2.86 -0.21 -3.51 114.93 116.56 2vpk h MET 115 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2vpk h MET 115 Cb 0.23 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.89 2vpk h MET 115 CO -0.21 0.01 0.00 0.39 1.06 0.00 0.00 176.91 178.17