#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bpp h LEU 2 N 0.00 0.56 -0.81 0.00 5.85 -1.36 0.27 115.31 119.82 2bpp h LEU 2 Ca 0.00 -0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.58 2bpp h LEU 2 Cb 0.00 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2bpp h LEU 2 CO 0.00 0.45 -0.09 -0.50 -0.34 0.00 0.00 178.44 177.96 2bpp h TRP 3 N 0.63 0.87 0.02 1.25 4.06 -1.98 -1.06 115.95 119.74 2bpp h TRP 3 Ca 0.17 -0.15 -0.26 0.00 2.06 0.00 0.00 58.89 60.70 2bpp h TRP 3 Cb -0.01 -0.22 0.02 0.00 -1.00 0.00 0.00 29.16 27.94 2bpp h TRP 3 CO -0.03 0.85 -1.06 1.96 -3.56 0.00 0.00 178.44 176.60 2bpp h GLN 4 N 0.72 0.60 -0.47 0.49 7.50 -1.89 -2.77 115.11 119.30 2bpp h GLN 4 Ca 0.12 -0.68 0.00 0.00 0.50 0.00 0.00 58.65 58.59 2bpp h GLN 4 Cb 0.57 0.20 -0.02 0.00 0.05 0.00 0.00 27.48 28.28 2bpp h GLN 4 CO 0.04 1.28 0.30 0.35 -1.50 0.00 0.00 178.83 179.30 2bpp h PHE 5 N 0.32 0.61 -0.76 2.96 3.57 -0.03 0.12 116.94 123.74 2bpp h PHE 5 Ca -0.13 0.01 0.14 0.00 3.53 0.00 0.00 57.97 61.52 2bpp h PHE 5 Cb 1.71 -0.20 -0.09 0.00 2.79 0.00 0.00 35.95 40.16 2bpp h PHE 5 CO 0.09 0.40 0.33 -0.97 -2.23 0.00 0.00 178.31 175.93 2bpp h ASN 6 N 0.64 0.34 -0.51 0.41 -1.24 -1.26 -1.25 115.58 112.69 2bpp h ASN 6 Ca 0.17 0.10 -0.09 0.00 0.71 0.00 0.00 56.30 57.19 2bpp h ASN 6 Cb -0.05 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.05 2bpp h ASN 6 CO -0.04 0.14 -0.04 1.23 -1.29 0.00 0.00 177.43 177.44 2bpp h GLY 7 N 0.49 1.01 0.75 1.57 0.00 -1.06 -2.21 103.07 103.61 2bpp h GLY 7 Ca 0.41 -0.77 0.04 0.00 0.00 0.00 0.00 47.33 47.01 2bpp h GLY 7 CO -0.38 0.71 0.18 -0.33 0.00 0.00 0.00 176.54 176.72 2bpp h MET 8 N 0.80 0.35 -0.52 4.80 2.86 -0.13 0.11 114.93 123.21 2bpp h MET 8 Ca 0.14 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.68 2bpp h MET 8 Cb 0.57 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.14 2bpp h MET 8 CO 0.03 0.23 -0.00 0.82 1.06 0.00 0.00 176.91 179.05 2bpp h ILE 9 N 0.36 1.26 -0.70 -1.22 2.04 -1.16 -1.91 117.51 116.19 2bpp h ILE 9 Ca 0.17 -1.10 0.04 0.00 1.00 0.00 0.00 64.86 64.97 2bpp h ILE 9 Cb 0.11 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 2bpp h ILE 9 CO -0.14 0.39 0.46 0.11 0.00 0.00 0.00 178.15 178.97 2bpp h LYS 10 N 0.79 0.79 -0.69 2.37 1.57 -1.10 0.64 116.57 120.95 2bpp h LYS 10 Ca 0.15 -0.05 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 2bpp h LYS 10 Cb 0.53 -0.18 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 2bpp h LYS 10 CO 0.03 0.52 0.39 0.00 -0.57 0.00 0.00 179.45 179.82 2bpp h LYS 12 N 0.73 0.09 -2.62 0.00 1.79 -0.71 -3.42 116.57 112.43 2bpp h LYS 12 Ca 0.30 -0.15 -0.60 0.00 -2.18 0.00 0.00 60.65 58.02 2bpp h LYS 12 Cb 0.16 0.06 -0.40 0.00 -1.58 0.00 0.00 32.23 30.47 2bpp h LYS 12 CO -0.17 0.99 -0.82 -0.89 -1.08 0.00 0.00 179.45 177.48 2bpp n ILE 13 N -3.36 0.01 0.27 1.86 5.41 0.22 -4.97 119.36 118.80 2bpp n ILE 13 Ca -0.06 -4.06 0.18 0.00 1.00 0.00 0.00 62.75 59.81 2bpp n ILE 13 Cb 0.99 -1.88 0.95 0.00 -0.71 0.00 0.00 39.64 38.98 2bpp n ILE 13 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 176.55 175.90 2bpp h PRO 14 N 5.42 0.00 -0.01 0.38 0.11 -1.66 -2.41 132.00 133.82 2bpp h PRO 14 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 2bpp h PRO 14 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 2bpp h PRO 14 CO 0.52 0.00 -0.09 -1.13 -0.21 0.00 0.00 178.00 177.09 2bpp n SER 15 N -2.75 1.22 -4.92 -2.05 3.41 -1.26 -4.94 113.62 102.32 2bpp n SER 15 Ca -0.02 -1.22 -0.31 0.00 -0.26 0.00 0.00 58.87 57.05 2bpp n SER 15 Cb 0.07 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.02 2bpp n SER 15 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2bpp s SER 16 N -2.19 6.38 -0.70 4.04 0.15 -0.91 -5.05 113.70 115.43 2bpp s SER 16 Ca 0.33 0.33 -0.10 0.00 0.70 0.00 0.00 55.95 57.21 2bpp s SER 16 Cb 0.20 -1.98 0.18 0.00 -1.71 0.00 0.00 66.02 62.71 2bpp s SER 16 CO 0.40 0.15 0.59 -1.61 1.20 0.00 0.00 173.24 173.97 2bpp s GLU 17 N -2.53 3.09 0.38 5.44 0.41 -1.26 -4.81 118.70 119.42 2bpp s GLU 17 Ca 0.36 -2.33 0.08 0.00 -0.41 0.00 0.00 54.97 52.67 2bpp s GLU 17 Cb -0.13 -4.14 0.82 0.00 -1.78 0.00 0.00 34.13 28.90 2bpp s GLU 17 CO 0.27 -1.25 1.96 -1.35 -0.49 0.00 0.00 175.26 174.41 2bpp h PRO 18 N 7.72 0.64 0.00 0.39 0.11 -1.94 0.25 132.00 139.17 2bpp h PRO 18 Ca -0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2bpp h PRO 18 Cb 1.02 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2bpp h PRO 18 CO 0.78 0.42 0.00 -0.07 -0.21 0.00 0.00 178.00 178.92 2bpp h LEU 19 N 0.66 0.00 0.00 2.35 3.38 -1.94 0.14 115.31 119.90 2bpp h LEU 19 Ca 0.30 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 58.06 2bpp h LEU 19 Cb 0.33 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 2bpp h LEU 19 CO -0.10 0.00 -1.67 0.18 0.09 0.00 0.00 178.44 176.94 2bpp n LEU 20 N -2.77 1.81 -0.04 1.67 4.32 -0.09 -4.17 117.00 117.73 2bpp n LEU 20 Ca -0.01 0.31 -0.03 0.00 -0.02 0.00 0.00 56.01 56.26 2bpp n LEU 20 Cb 0.14 -0.72 0.20 0.00 -1.62 0.00 0.00 43.42 41.42 2bpp n LEU 20 CO 0.19 0.11 0.84 0.44 -1.22 0.00 0.00 177.39 177.75 2bpp h ASP 21 N -0.90 0.61 -0.11 -1.43 3.32 -1.05 -3.11 116.42 113.75 2bpp h ASP 21 Ca -0.33 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.56 2bpp h ASP 21 Cb 1.24 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2bpp h ASP 21 CO -0.20 0.74 0.00 0.49 -1.72 0.00 0.00 179.24 178.55 2bpp n PHE 22 N -4.20 0.13 -3.52 4.55 3.72 0.03 -4.91 117.46 113.26 2bpp n PHE 22 Ca 0.01 -0.15 -0.36 0.00 -0.05 0.00 0.00 57.45 56.91 2bpp n PHE 22 Cb 0.32 -0.01 -0.06 0.00 -0.94 0.00 0.00 39.48 38.80 2bpp n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2bpp s ASN 23 N -0.93 6.72 -0.90 4.37 2.47 -1.18 -4.20 114.94 121.29 2bpp s ASN 23 Ca 0.16 0.89 -0.07 0.00 0.42 0.00 0.00 52.86 54.26 2bpp s ASN 23 Cb 0.10 -2.22 -0.00 0.00 -1.45 0.00 0.00 41.25 37.68 2bpp s ASN 23 CO 0.14 0.21 0.70 -3.20 -3.72 0.00 0.00 177.10 171.23 2bpp n ASN 24 N 1.18 -5.96 -4.11 -4.21 2.85 -0.05 -4.79 115.26 100.18 2bpp n ASN 24 Ca -0.09 -0.70 -0.26 0.00 -0.11 0.00 0.00 54.58 53.41 2bpp n ASN 24 Cb 0.52 -3.39 -0.16 0.00 1.24 0.00 0.00 39.78 37.99 2bpp n ASN 24 CO 0.00 0.00 0.00 -0.47 -2.11 0.00 0.00 177.26 174.68 2bpp s TYR 25 N -3.15 1.72 0.00 1.20 6.14 -0.75 -1.30 117.35 121.22 2bpp s TYR 25 Ca 0.16 -0.56 0.00 0.00 0.64 0.00 0.00 57.07 57.31 2bpp s TYR 25 Cb -0.06 -1.18 0.00 0.00 0.42 0.00 0.00 41.96 41.14 2bpp s TYR 25 CO 0.84 -0.22 0.00 0.41 0.64 0.00 0.00 175.55 177.21 2bpp n GLY 26 N 3.38 0.80 0.07 8.97 0.00 -0.25 -2.50 105.19 115.66 2bpp n GLY 26 Ca -0.20 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.15 2bpp n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bpp n TYR 28 N -2.20 0.00 -2.38 0.00 4.01 -1.25 -3.34 117.16 111.99 2bpp n TYR 28 Ca 0.02 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.38 2bpp n TYR 28 Cb 0.47 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.46 2bpp n TYR 28 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2bpp n GLY 30 N 6.24 0.98 3.68 0.00 0.00 -1.26 -0.87 105.19 113.96 2bpp n GLY 30 Ca 0.23 -2.07 -0.52 0.00 0.00 0.00 0.00 46.02 43.67 2bpp n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2bpp n LEU 31 N 0.00 2.83 0.00 0.99 4.77 -1.26 -4.56 117.00 119.77 2bpp n LEU 31 Ca 0.00 1.04 0.00 0.00 -0.03 0.00 0.00 56.01 57.02 2bpp n LEU 31 Cb 0.00 -1.27 0.00 0.00 -2.33 0.00 0.00 43.42 39.82 2bpp n LEU 31 CO 0.00 -0.32 0.00 0.61 -1.33 0.00 0.00 177.39 176.35 2bpp n GLY 32 N 4.01 0.91 0.00 -0.72 0.00 -1.26 -5.00 105.19 103.13 2bpp n GLY 32 Ca 0.23 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2bpp n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bpp n GLY 33 N 0.00 4.04 3.30 -0.02 0.00 -1.25 -4.55 105.19 106.71 2bpp n GLY 33 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 2bpp n GLY 33 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2bpp s SER 34 N 0.00 0.10 0.00 1.61 0.15 -1.21 -4.95 113.70 109.40 2bpp s SER 34 Ca 0.00 -0.94 0.00 0.00 0.70 0.00 0.00 55.95 55.71 2bpp s SER 34 Cb 0.00 0.41 0.00 0.00 -1.71 0.00 0.00 66.02 64.72 2bpp s SER 34 CO 0.00 -0.86 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2bpp n GLY 35 N -0.19 -1.82 3.73 9.45 0.00 -1.26 -4.77 105.19 110.33 2bpp n GLY 35 Ca -0.07 -1.57 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 2bpp n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bpp s THR 36 N 0.00 5.30 0.24 2.61 2.01 -1.26 -5.03 115.64 119.51 2bpp s THR 36 Ca 0.00 0.54 -0.30 0.00 0.31 0.00 0.00 61.69 62.24 2bpp s THR 36 Cb 0.00 -3.63 -0.15 0.00 0.01 0.00 0.00 72.50 68.74 2bpp s THR 36 CO 0.00 0.40 1.10 -2.65 -0.69 0.00 0.00 174.62 172.78 2bpp n PRO 37 N 3.51 1.32 0.09 4.92 -0.02 -1.26 -4.83 135.00 138.73 2bpp n PRO 37 Ca -0.12 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2bpp n PRO 37 Cb 0.52 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.06 2bpp n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 2bpp h VAL 38 N 2.33 0.83 -2.21 -1.45 -1.51 -1.96 -3.47 116.25 108.81 2bpp h VAL 38 Ca -0.41 -2.28 -0.02 0.00 -1.23 0.00 0.00 66.70 62.76 2bpp h VAL 38 Cb 1.34 2.33 -0.00 0.00 -2.13 0.00 0.00 31.29 32.83 2bpp h VAL 38 CO 0.66 0.47 0.03 -0.90 -1.23 0.00 0.00 177.57 176.59 2bpp n ASP 39 N -3.12 -0.34 -0.04 4.19 5.68 -1.26 -5.02 116.55 116.65 2bpp n ASP 39 Ca -0.03 -1.28 -0.07 0.00 -0.50 0.00 0.00 54.79 52.91 2bpp n ASP 39 Cb 0.80 0.57 0.11 0.00 -1.14 0.00 0.00 41.12 41.46 2bpp n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2bpp h ASP 40 N 0.33 0.66 -0.02 -1.12 3.32 -1.92 -0.78 116.42 116.89 2bpp h ASP 40 Ca -0.05 -0.26 0.02 0.00 0.02 0.00 0.00 57.03 56.76 2bpp h ASP 40 Cb 0.20 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 2bpp h ASP 40 CO 0.07 0.94 -0.13 0.25 -1.72 0.00 0.00 179.24 178.65 2bpp h LEU 41 N 0.54 -0.37 -1.38 1.55 6.46 -1.93 -0.02 115.31 120.16 2bpp h LEU 41 Ca 0.06 0.06 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2bpp h LEU 41 Cb 0.82 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 2bpp h LEU 41 CO 0.07 -0.18 0.43 -0.78 -0.62 0.00 0.00 178.44 177.36 2bpp h ASP 42 N -0.20 0.71 -0.36 1.25 3.58 -1.86 -0.92 116.42 118.61 2bpp h ASP 42 Ca 0.05 -0.01 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 2bpp h ASP 42 Cb 0.27 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.13 2bpp h ASP 42 CO -0.14 0.50 0.01 -0.09 -2.88 0.00 0.00 179.24 176.64 2bpp h ARG 43 N 0.83 0.73 -0.82 0.28 9.65 -0.60 0.12 114.38 124.57 2bpp h ARG 43 Ca 0.25 -0.18 0.05 0.00 -1.10 0.00 0.00 59.98 58.99 2bpp h ARG 43 Cb -0.02 -0.09 -0.05 0.00 -1.39 0.00 0.00 29.97 28.42 2bpp h ARG 43 CO -0.06 0.73 0.51 0.00 2.80 0.00 0.00 179.97 183.95 2bpp h GLN 46 N 0.96 0.87 -0.81 0.00 4.15 -0.06 -0.79 115.11 119.43 2bpp h GLN 46 Ca 0.23 -0.13 -0.02 0.00 0.77 0.00 0.00 58.65 59.49 2bpp h GLN 46 Cb 0.20 -0.16 -0.04 0.00 0.21 0.00 0.00 27.48 27.70 2bpp h GLN 46 CO -0.02 0.71 0.43 1.15 -1.93 0.00 0.00 178.83 179.17 2bpp h THR 47 N 0.83 1.24 -0.30 2.39 2.02 -0.84 -0.56 112.91 117.69 2bpp h THR 47 Ca 0.21 -0.63 -0.13 0.00 0.77 0.00 0.00 66.41 66.63 2bpp h THR 47 Cb 0.13 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 66.71 2bpp h THR 47 CO -0.03 0.28 -0.33 -0.74 0.37 0.00 0.00 175.52 175.07 2bpp h HIS 48 N 1.13 0.76 -0.23 3.16 -0.00 -0.75 0.10 115.15 119.32 2bpp h HIS 48 Ca 0.28 -0.20 -0.08 0.00 -0.00 0.00 0.00 60.37 60.37 2bpp h HIS 48 Cb 0.06 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 2bpp h HIS 48 CO 0.01 0.90 -0.19 -0.44 -0.00 0.00 0.00 177.93 178.20 2bpp h ASP 49 N 0.55 0.40 0.71 3.26 5.19 -0.72 -0.82 116.42 125.00 2bpp h ASP 49 Ca 0.06 -0.12 -0.17 0.00 -0.62 0.00 0.00 57.03 56.18 2bpp h ASP 49 Cb 0.84 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 40.22 2bpp h ASP 49 CO 0.07 0.61 -0.80 0.78 -3.12 0.00 0.00 179.24 176.78 2bpp h ASN 50 N 0.37 0.08 -0.63 6.45 2.35 -0.15 -2.14 115.58 121.92 2bpp h ASN 50 Ca 0.06 -0.07 -0.06 0.00 -0.55 0.00 0.00 56.30 55.69 2bpp h ASN 50 Cb 0.56 -0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.88 2bpp h ASN 50 CO 0.04 0.85 0.16 0.00 -1.65 0.00 0.00 177.43 176.83 2bpp h TYR 52 N 0.92 1.20 -0.26 0.00 -1.99 -1.16 0.09 116.97 115.76 2bpp h TYR 52 Ca 0.20 -0.14 0.02 0.00 2.00 0.00 0.00 58.73 60.81 2bpp h TYR 52 Cb 0.34 -0.34 -0.02 0.00 2.00 0.00 0.00 36.73 38.71 2bpp h TYR 52 CO 0.03 0.96 0.13 0.87 -0.00 0.00 0.00 178.16 180.15 2bpp h LYS 53 N 1.09 0.27 -0.62 4.88 1.57 -1.02 -1.17 116.57 121.57 2bpp h LYS 53 Ca 0.23 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2bpp h LYS 53 Cb 0.36 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.58 2bpp h LYS 53 CO 0.00 0.18 0.33 0.37 -0.57 0.00 0.00 179.45 179.77 2bpp h GLN 54 N 0.28 0.87 -0.95 3.15 5.75 -0.99 -2.58 115.11 120.64 2bpp h GLN 54 Ca 0.11 -0.11 0.08 0.00 -0.15 0.00 0.00 58.65 58.58 2bpp h GLN 54 Cb 0.02 -0.17 -0.07 0.00 1.07 0.00 0.00 27.48 28.33 2bpp h GLN 54 CO -0.07 0.67 0.60 0.00 -2.65 0.00 0.00 178.83 177.38 2bpp h ALA 55 N 1.16 1.35 0.00 3.38 0.00 -0.71 -1.47 119.26 122.96 2bpp h ALA 55 Ca 0.22 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 2bpp h ALA 55 Cb 0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 2bpp h ALA 55 CO -0.03 0.33 -0.09 0.87 0.00 0.00 0.00 179.25 180.33 2bpp h LYS 56 N 1.06 0.00 0.00 0.00 1.57 -0.83 -2.07 116.57 116.30 2bpp h LYS 56 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 2bpp h LYS 56 Cb 0.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.56 2bpp h LYS 56 CO -0.20 0.09 -0.29 0.87 -0.57 0.00 0.00 179.45 179.36 2bpp h LYS 57 N 0.00 0.00 -6.75 3.15 1.57 -1.04 -3.45 116.57 110.05 2bpp h LYS 57 Ca -0.00 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.25 2bpp h LYS 57 Cb 0.19 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.56 2bpp h LYS 57 CO 0.01 0.00 0.77 -0.51 -0.57 0.00 0.00 179.45 179.15 2bpp s LEU 58 N -5.07 4.38 0.30 2.94 1.02 -0.78 -4.93 118.68 116.54 2bpp s LEU 58 Ca 0.07 2.68 0.05 0.00 0.02 0.00 0.00 54.13 56.95 2bpp s LEU 58 Cb 0.10 -3.62 0.75 0.00 0.02 0.00 0.00 46.19 43.44 2bpp s LEU 58 CO 0.67 -0.71 1.73 0.44 0.02 0.00 0.00 176.35 178.50 2bpp h ASP 59 N 5.02 0.56 -0.00 2.29 3.32 -1.90 0.03 116.42 125.74 2bpp h ASP 59 Ca -0.46 0.13 -0.03 0.00 0.02 0.00 0.00 57.03 56.68 2bpp h ASP 59 Cb 1.22 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2bpp h ASP 59 CO 0.78 0.12 -0.07 0.28 -1.72 0.00 0.00 179.24 178.63 2bpp h SER 60 N 0.57 0.17 1.83 6.45 0.02 -1.93 -3.09 113.55 117.57 2bpp h SER 60 Ca 0.58 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 61.50 2bpp h SER 60 Cb 1.02 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.51 2bpp h SER 60 CO -0.46 0.28 0.00 0.00 -1.14 0.00 0.00 176.83 175.51 2bpp n LYS 62 N -2.90 0.07 -0.11 0.00 5.02 -1.14 -3.56 118.16 115.54 2bpp n LYS 62 Ca 0.04 0.22 -0.17 0.00 -2.02 0.00 0.00 58.31 56.38 2bpp n LYS 62 Cb 0.49 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 2bpp n LYS 62 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 2bpp n VAL 63 N -1.25 1.51 -2.00 -0.18 3.14 -1.22 -4.90 118.33 113.43 2bpp n VAL 63 Ca 0.02 -0.05 -0.38 0.00 -2.96 0.00 0.00 64.34 60.97 2bpp n VAL 63 Cb 0.03 -2.17 -0.03 0.00 -1.06 0.00 0.00 33.84 30.61 2bpp n VAL 63 CO 0.00 0.00 0.00 -0.76 -6.46 0.00 0.00 176.83 169.61 2bpp s LEU 64 N -7.79 3.31 -0.11 6.55 1.43 -1.23 -4.78 118.68 116.05 2bpp s LEU 64 Ca -0.31 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.17 2bpp s LEU 64 Cb 0.08 -2.56 -0.15 0.00 0.03 0.00 0.00 46.19 43.59 2bpp s LEU 64 CO 0.44 -2.40 3.22 1.33 0.23 0.00 0.00 176.35 179.17 2bpp n VAL 65 N 7.29 2.96 -3.72 -1.59 0.24 -1.26 -4.41 118.33 117.84 2bpp n VAL 65 Ca 0.22 -1.73 -0.29 0.00 -2.04 0.00 0.00 64.34 60.50 2bpp n VAL 65 Cb 0.52 -1.84 -0.16 0.00 -1.47 0.00 0.00 33.84 30.90 2bpp n VAL 65 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2bpp s ASP 66 N 1.57 3.45 0.82 -1.34 1.11 -1.26 -5.09 116.67 115.92 2bpp s ASP 66 Ca 0.57 -1.20 -0.16 0.00 0.18 0.00 0.00 52.55 51.94 2bpp s ASP 66 Cb 0.30 -0.70 -0.08 0.00 1.07 0.00 0.00 42.92 43.51 2bpp s ASP 66 CO -0.05 -0.36 -0.04 -0.46 1.18 0.00 0.00 175.17 175.44 2bpp n ASN 67 N 4.98 -3.37 0.31 0.27 6.94 -1.26 -4.03 115.26 119.10 2bpp n ASN 67 Ca -0.06 0.42 0.17 0.00 -0.02 0.00 0.00 54.58 55.09 2bpp n ASN 67 Cb 0.44 -1.00 0.90 0.00 -2.36 0.00 0.00 39.78 37.77 2bpp n ASN 67 CO 0.00 0.00 0.00 -0.65 -1.03 0.00 0.00 177.26 175.58 2bpp h PRO 68 N -0.75 0.00 0.00 -0.53 0.11 -1.94 0.23 132.00 129.12 2bpp h PRO 68 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2bpp h PRO 68 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 2bpp h PRO 68 CO 0.34 0.00 0.00 1.88 -0.21 0.00 0.00 178.00 180.01 2bpp h TYR 69 N 0.00 0.00 0.00 0.65 -1.99 -1.93 0.12 116.97 113.82 2bpp h TYR 69 Ca 0.02 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.75 2bpp h TYR 69 Cb 0.54 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.27 2bpp h TYR 69 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 178.16 175.79 2bpp n THR 70 N -2.50 0.00 -2.03 -2.88 5.66 0.75 -1.19 114.28 112.08 2bpp n THR 70 Ca 0.02 -0.46 -0.40 0.00 -3.05 0.00 0.00 64.05 60.16 2bpp n THR 70 Cb 0.29 1.06 -0.03 0.00 -1.55 0.00 0.00 70.33 70.09 2bpp n THR 70 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 2bpp s ASN 71 N -0.27 5.49 0.21 1.09 3.84 -0.89 -4.95 114.94 119.47 2bpp s ASN 71 Ca 0.00 0.67 -0.18 0.00 0.21 0.00 0.00 52.86 53.56 2bpp s ASN 71 Cb 0.00 -2.53 -0.08 0.00 -0.55 0.00 0.00 41.25 38.09 2bpp s ASN 71 CO 0.00 -2.14 0.68 0.20 -2.79 0.00 0.00 177.10 173.05 2bpp s ASN 72 N 7.38 6.97 0.29 -4.21 0.01 -1.26 -3.70 114.94 120.42 2bpp s ASN 72 Ca 0.71 1.31 0.03 0.00 -0.71 0.00 0.00 52.86 54.20 2bpp s ASN 72 Cb -0.16 -2.38 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 2bpp s ASN 72 CO 0.25 0.03 0.10 0.00 -1.51 0.00 0.00 177.10 175.98 2bpp n TYR 73 N 0.66 0.10 -5.24 2.20 0.18 -1.26 -4.96 117.16 108.84 2bpp n TYR 73 Ca -0.03 -1.87 -0.31 0.00 1.88 0.00 0.00 57.90 57.57 2bpp n TYR 73 Cb 0.51 -0.00 -0.16 0.00 -0.38 0.00 0.00 39.34 39.31 2bpp n TYR 73 CO 0.00 0.00 0.00 -1.12 -2.08 0.00 0.00 176.86 173.66 2bpp s SER 74 N -2.80 3.18 0.23 9.48 0.01 -1.26 -4.99 113.70 117.56 2bpp s SER 74 Ca 0.15 -0.45 -0.16 0.00 1.31 0.00 0.00 55.95 56.80 2bpp s SER 74 Cb 0.01 -0.56 0.01 0.00 0.21 0.00 0.00 66.02 65.69 2bpp s SER 74 CO 0.10 0.30 0.55 -0.72 0.41 0.00 0.00 173.24 173.88 2bpp s TYR 75 N -0.48 0.06 0.15 2.43 1.13 -1.26 -1.90 117.35 117.48 2bpp s TYR 75 Ca 0.06 -0.43 0.11 0.00 -1.41 0.00 0.00 57.07 55.39 2bpp s TYR 75 Cb -0.11 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 2bpp s TYR 75 CO 0.01 -1.02 -0.25 0.45 -2.51 0.00 0.00 175.55 172.23 2bpp s SER 76 N -2.94 3.29 -0.15 -0.18 0.15 0.06 -4.96 113.70 108.97 2bpp s SER 76 Ca 0.15 -0.79 0.02 0.00 0.70 0.00 0.00 55.95 56.03 2bpp s SER 76 Cb -0.02 -0.22 0.01 0.00 -1.71 0.00 0.00 66.02 64.08 2bpp s SER 76 CO 0.04 0.15 -0.20 0.00 1.20 0.00 0.00 173.24 174.42 2bpp s SER 78 N 1.01 -0.46 -1.66 0.00 1.04 -0.80 -4.89 113.70 107.95 2bpp s SER 78 Ca -0.03 0.84 -0.00 0.00 0.48 0.00 0.00 55.95 57.24 2bpp s SER 78 Cb -0.15 0.80 0.00 0.00 0.10 0.00 0.00 66.02 66.78 2bpp s SER 78 CO -0.06 -0.16 0.04 -3.20 0.98 0.00 0.00 173.24 170.84 2bpp n ASN 79 N 3.39 -5.62 -1.60 7.02 4.05 -1.26 -1.35 115.26 119.89 2bpp n ASN 79 Ca -0.17 -0.00 -0.17 0.00 0.45 0.00 0.00 54.58 54.69 2bpp n ASN 79 Cb 0.56 -4.68 -0.04 0.00 1.23 0.00 0.00 39.78 36.85 2bpp n ASN 79 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2bpp n ASN 80 N -2.02 -5.03 -4.37 1.20 3.02 -1.26 -5.03 115.26 101.77 2bpp n ASN 80 Ca -0.22 0.21 -0.27 0.00 -0.03 0.00 0.00 54.58 54.27 2bpp n ASN 80 Cb 0.67 -4.07 -0.12 0.00 -0.61 0.00 0.00 39.78 35.65 2bpp n ASN 80 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2bpp s GLU 81 N -4.10 1.36 -0.15 3.52 2.56 -0.46 -4.55 118.70 116.88 2bpp s GLU 81 Ca 0.00 -1.35 -0.06 0.00 0.00 0.00 0.00 54.97 53.55 2bpp s GLU 81 Cb 0.00 -1.73 -0.04 0.00 2.00 0.00 0.00 34.13 34.36 2bpp s GLU 81 CO 0.00 0.40 0.07 0.42 -0.56 0.00 0.00 175.26 175.58 2bpp s ILE 82 N -1.30 4.86 -0.11 -3.70 1.01 -1.26 -1.90 121.20 118.79 2bpp s ILE 82 Ca 0.14 -0.02 0.02 0.00 0.00 0.00 0.00 60.65 60.79 2bpp s ILE 82 Cb -0.09 -3.15 0.01 0.00 0.01 0.00 0.00 42.46 39.24 2bpp s ILE 82 CO 0.07 0.52 -0.16 -0.89 0.00 0.00 0.00 174.94 174.47 2bpp s THR 83 N -0.13 1.57 0.29 2.92 2.01 0.21 -4.96 115.64 117.54 2bpp s THR 83 Ca 0.07 -0.69 -0.28 0.00 0.31 0.00 0.00 61.69 61.11 2bpp s THR 83 Cb -0.12 -1.43 -0.09 0.00 0.01 0.00 0.00 72.50 70.87 2bpp s THR 83 CO 0.01 0.46 0.97 0.00 -0.69 0.00 0.00 174.62 175.36 2bpp s SER 85 N -1.35 7.04 0.23 0.00 0.15 -0.80 -4.92 113.70 114.05 2bpp s SER 85 Ca 0.46 1.31 0.16 0.00 0.70 0.00 0.00 55.95 58.59 2bpp s SER 85 Cb -0.23 -2.38 0.87 0.00 -1.71 0.00 0.00 66.02 62.57 2bpp s SER 85 CO 0.29 0.14 1.50 -1.54 1.20 0.00 0.00 173.24 174.83 2bpp n SER 86 N 1.11 0.42 0.26 5.45 3.41 -1.26 -1.94 113.62 121.07 2bpp n SER 86 Ca -0.06 0.69 0.18 0.00 -0.26 0.00 0.00 58.87 59.42 2bpp n SER 86 Cb 0.51 -0.75 0.78 0.00 -0.26 0.00 0.00 64.21 64.49 2bpp n SER 86 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2bpp h GLU 87 N 0.00 0.00 -6.68 4.33 4.57 -1.93 -3.45 114.58 111.42 2bpp h GLU 87 Ca 0.00 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.65 2bpp h GLU 87 Cb 0.03 0.00 0.04 0.00 -0.16 0.00 0.00 28.75 28.66 2bpp h GLU 87 CO 0.00 0.00 0.71 -0.80 -1.18 0.00 0.00 179.01 177.74 2bpp s ASN 88 N -5.28 6.79 1.02 1.04 0.02 -0.82 -5.02 114.94 112.69 2bpp s ASN 88 Ca 0.00 2.49 -0.13 0.00 -1.02 0.00 0.00 52.86 54.20 2bpp s ASN 88 Cb 0.10 -2.61 0.15 0.00 0.02 0.00 0.00 41.25 38.90 2bpp s ASN 88 CO 0.47 -0.62 0.75 -0.46 0.02 0.00 0.00 177.10 177.26 2bpp n ASN 89 N 2.82 -1.21 -0.24 -1.22 0.23 -1.26 -4.61 115.26 109.78 2bpp n ASN 89 Ca 0.08 0.17 -0.02 0.00 -0.53 0.00 0.00 54.58 54.28 2bpp n ASN 89 Cb 0.42 -1.28 0.10 0.00 -2.08 0.00 0.00 39.78 36.94 2bpp n ASN 89 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2bpp h ALA 90 N -2.03 0.92 0.77 -2.53 0.00 -1.95 0.39 119.26 114.82 2bpp h ALA 90 Ca -0.49 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.39 2bpp h ALA 90 Cb 1.30 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2bpp h ALA 90 CO 0.41 0.10 -0.37 0.00 0.00 0.00 0.00 179.25 179.38 2bpp h GLU 92 N -1.04 0.31 -0.34 0.00 5.08 -1.86 -0.71 114.58 116.03 2bpp h GLU 92 Ca -0.11 -0.02 -0.15 0.00 -1.00 0.00 0.00 59.36 58.09 2bpp h GLU 92 Cb 0.79 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2bpp h GLU 92 CO 0.17 0.21 -0.38 0.00 -1.00 0.00 0.00 179.01 178.01 2bpp h ALA 93 N 1.75 0.69 -0.23 3.43 0.00 -0.76 0.02 119.26 124.16 2bpp h ALA 93 Ca 0.58 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 2bpp h ALA 93 Cb 1.15 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 2bpp h ALA 93 CO -0.58 0.67 -0.01 0.35 0.00 0.00 0.00 179.25 179.67 2bpp h PHE 94 N 0.66 0.45 -0.66 0.00 3.04 -0.19 -1.25 116.94 118.99 2bpp h PHE 94 Ca 0.06 -0.08 -0.07 0.00 3.98 0.00 0.00 57.97 61.86 2bpp h PHE 94 Cb 0.94 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.31 2bpp h PHE 94 CO 0.05 0.60 0.15 0.82 -2.02 0.00 0.00 178.31 177.92 2bpp h ILE 95 N 0.16 1.26 -0.99 1.41 2.04 -1.22 -1.46 117.51 118.71 2bpp h ILE 95 Ca 0.06 -0.95 0.08 0.00 1.00 0.00 0.00 64.86 65.05 2bpp h ILE 95 Cb 0.43 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 2bpp h ILE 95 CO 0.01 0.36 0.64 0.00 0.00 0.00 0.00 178.15 179.16 2bpp h ASN 97 N 1.12 0.80 -0.54 0.00 -1.24 -0.70 -0.80 115.58 114.21 2bpp h ASN 97 Ca 0.44 -0.50 0.09 0.00 0.71 0.00 0.00 56.30 57.04 2bpp h ASN 97 Cb 0.24 -0.23 -0.08 0.00 0.73 0.00 0.00 38.32 38.99 2bpp h ASN 97 CO -0.19 1.14 0.12 0.00 -1.29 0.00 0.00 177.43 177.21 2bpp h ASP 99 N 0.26 0.77 -0.50 0.00 5.19 -1.12 -2.16 116.42 118.87 2bpp h ASP 99 Ca 0.28 -0.25 -0.04 0.00 -0.62 0.00 0.00 57.03 56.40 2bpp h ASP 99 Cb 0.38 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.66 2bpp h ASP 99 CO -0.35 0.83 0.17 -0.09 -3.12 0.00 0.00 179.24 176.68 2bpp h ARG 100 N 0.69 0.76 -0.38 3.56 2.43 -0.97 0.04 114.38 120.51 2bpp h ARG 100 Ca 0.15 -0.15 -0.09 0.00 -0.81 0.00 0.00 59.98 59.08 2bpp h ARG 100 Cb 0.37 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 2bpp h ARG 100 CO 0.01 0.70 -0.13 -0.91 -1.51 0.00 0.00 179.97 178.12 2bpp h ASN 101 N 0.67 0.68 -0.18 -3.80 2.35 -1.09 -1.74 115.58 112.46 2bpp h ASN 101 Ca 0.16 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2bpp h ASN 101 Cb 0.24 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.43 2bpp h ASN 101 CO -0.01 0.84 -0.21 0.00 -1.65 0.00 0.00 177.43 176.40 2bpp h ALA 102 N 1.23 0.27 -0.86 -0.83 0.00 -1.11 0.10 119.26 118.07 2bpp h ALA 102 Ca 0.11 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2bpp h ALA 102 Cb 0.59 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2bpp h ALA 102 CO 0.04 0.21 0.56 0.00 0.00 0.00 0.00 179.25 180.06 2bpp h ALA 103 N 0.62 1.13 -0.27 0.00 0.00 -0.77 0.31 119.26 120.28 2bpp h ALA 103 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2bpp h ALA 103 Cb 0.76 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2bpp h ALA 103 CO 0.05 0.41 0.03 0.82 0.00 0.00 0.00 179.25 180.56 2bpp h ILE 104 N 1.09 1.24 -0.00 0.00 2.04 -1.14 -2.64 117.51 118.08 2bpp h ILE 104 Ca 0.34 -0.82 0.02 0.00 1.00 0.00 0.00 64.86 65.40 2bpp h ILE 104 Cb -0.01 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2bpp h ILE 104 CO -0.11 0.26 -0.15 0.00 0.00 0.00 0.00 178.15 178.15 2bpp h PHE 106 N -0.25 0.76 0.00 0.00 -1.00 -0.95 0.19 116.94 115.69 2bpp h PHE 106 Ca 0.05 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.86 2bpp h PHE 106 Cb 0.32 -0.23 0.00 0.00 3.61 0.00 0.00 35.95 39.65 2bpp h PHE 106 CO -0.21 0.14 0.00 -1.13 -1.61 0.00 0.00 178.31 175.51 2bpp n SER 107 N -4.64 0.33 -0.63 2.17 3.41 -0.85 -3.64 113.62 109.77 2bpp n SER 107 Ca 0.23 0.55 0.07 0.00 -0.26 0.00 0.00 58.87 59.45 2bpp n SER 107 Cb 0.72 -0.63 0.10 0.00 -0.26 0.00 0.00 64.21 64.14 2bpp n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2bpp n LYS 108 N -1.83 1.47 -4.40 4.33 4.76 0.05 -5.00 118.16 117.54 2bpp n LYS 108 Ca 0.05 -1.57 -0.24 0.00 -2.87 0.00 0.00 58.31 53.68 2bpp n LYS 108 Cb 0.32 -1.29 -0.11 0.00 -1.84 0.00 0.00 35.03 32.11 2bpp n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 2bpp s VAL 109 N -1.11 2.16 0.50 -0.18 -7.23 -1.17 -5.10 120.40 108.26 2bpp s VAL 109 Ca 0.20 -2.09 -0.23 0.00 -1.81 0.00 0.00 61.98 58.05 2bpp s VAL 109 Cb 0.13 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.94 2bpp s VAL 109 CO 0.18 -0.28 1.30 -2.84 -0.31 0.00 0.00 175.10 173.15 2bpp s PRO 110 N -2.97 3.42 -0.25 4.82 0.02 -1.26 -4.95 135.00 133.83 2bpp s PRO 110 Ca 0.21 2.11 -0.10 0.00 0.02 0.00 0.00 61.00 63.24 2bpp s PRO 110 Cb -0.06 -2.37 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 2bpp s PRO 110 CO 0.10 -0.93 0.16 -0.47 -0.33 0.00 0.00 177.00 175.53 2bpp s TYR 111 N -1.36 3.29 -0.50 6.54 6.14 -1.26 -4.39 117.35 125.82 2bpp s TYR 111 Ca 0.67 0.19 -0.04 0.00 0.64 0.00 0.00 57.07 58.53 2bpp s TYR 111 Cb -0.37 -2.29 0.13 0.00 0.42 0.00 0.00 41.96 39.85 2bpp s TYR 111 CO 0.45 0.01 0.31 -0.80 0.64 0.00 0.00 175.55 176.16 2bpp s ASN 112 N 1.20 5.34 0.14 4.32 0.01 -1.26 -4.96 114.94 119.73 2bpp s ASN 112 Ca 0.07 -2.30 -0.05 0.00 -0.71 0.00 0.00 52.86 49.88 2bpp s ASN 112 Cb -0.14 -1.87 0.23 0.00 0.41 0.00 0.00 41.25 39.88 2bpp s ASN 112 CO 0.06 -0.51 0.80 0.29 -1.51 0.00 0.00 177.10 176.23 2bpp n LYS 113 N 4.26 -0.05 0.01 -0.60 4.01 -1.26 -0.82 118.16 123.72 2bpp n LYS 113 Ca 0.01 0.80 0.04 0.00 -0.51 0.00 0.00 58.31 58.65 2bpp n LYS 113 Cb 0.40 -1.20 0.19 0.00 -0.51 0.00 0.00 35.03 33.92 2bpp n LYS 113 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 2bpp n GLU 114 N -4.83 0.02 0.00 1.97 0.00 -1.26 -2.24 120.64 114.30 2bpp n GLU 114 Ca 0.08 0.39 0.10 0.00 0.00 0.00 0.00 57.16 57.73 2bpp n GLU 114 Cb 0.25 -1.54 0.05 0.00 0.00 0.00 0.00 31.44 30.20 2bpp n GLU 114 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.13 177.85 2bpp n HIS 115 N -1.57 0.00 -2.46 -1.84 8.25 0.00 -4.87 115.22 112.73 2bpp n HIS 115 Ca 0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.11 2bpp n HIS 115 Cb 0.09 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.17 2bpp n HIS 115 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 2bpp s LYS 116 N -1.87 4.12 -1.51 -0.41 2.47 -0.95 -1.09 119.74 120.50 2bpp s LYS 116 Ca 0.20 1.62 -0.05 0.00 -1.56 0.00 0.00 55.97 56.17 2bpp s LYS 116 Cb 0.16 -2.59 0.05 0.00 -1.46 0.00 0.00 37.83 33.99 2bpp s LYS 116 CO 0.35 -0.20 0.47 -1.71 0.16 0.00 0.00 175.35 174.41 2bpp n ASN 117 N -0.02 -0.99 -4.69 1.43 5.15 -0.42 -4.86 115.26 110.86 2bpp n ASN 117 Ca 0.05 -1.05 -0.42 0.00 -0.60 0.00 0.00 54.58 52.56 2bpp n ASN 117 Cb 0.49 -2.76 -0.03 0.00 -0.53 0.00 0.00 39.78 36.94 2bpp n ASN 117 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2bpp s LEU 118 N -7.11 4.32 0.14 1.20 1.98 -1.18 -4.95 118.68 113.08 2bpp s LEU 118 Ca 0.22 2.13 -0.30 0.00 -2.89 0.00 0.00 54.13 53.28 2bpp s LEU 118 Cb -0.12 -3.56 -0.08 0.00 0.66 0.00 0.00 46.19 43.09 2bpp s LEU 118 CO 0.92 -0.73 1.29 -0.62 -1.89 0.00 0.00 176.35 175.31 2bpp s ASP 119 N 1.94 6.95 0.00 3.68 2.15 -1.26 -4.86 116.67 125.26 2bpp s ASP 119 Ca 0.64 2.27 0.08 0.00 0.43 0.00 0.00 52.55 55.97 2bpp s ASP 119 Cb -0.32 -2.60 0.48 0.00 -0.30 0.00 0.00 42.92 40.18 2bpp s ASP 119 CO 0.27 -0.52 1.15 0.29 -0.17 0.00 0.00 175.17 176.18 2bpp n LYS 120 N 3.25 0.81 -0.30 4.34 4.01 -1.26 -4.08 118.16 124.94 2bpp n LYS 120 Ca 0.08 0.00 0.07 0.00 -0.51 0.00 0.00 58.31 57.95 2bpp n LYS 120 Cb 0.44 -1.15 0.29 0.00 -0.51 0.00 0.00 35.03 34.09 2bpp n LYS 120 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2bpp h LYS 121 N 0.00 0.87 -2.19 1.97 6.56 -2.03 -2.29 116.57 119.47 2bpp h LYS 121 Ca 0.00 -0.05 -0.58 0.00 -1.06 0.00 0.00 60.65 58.96 2bpp h LYS 121 Cb 0.00 -0.20 -0.40 0.00 -0.57 0.00 0.00 32.23 31.06 2bpp h LYS 121 CO 0.00 0.58 -0.89 -1.71 -2.06 0.00 0.00 179.45 175.36 2bpp n ASN 122 N -4.54 1.42 -0.71 0.86 5.15 -1.26 -5.24 115.26 110.94 2bpp n ASN 122 Ca 0.16 -2.93 0.13 0.00 -0.60 0.00 0.00 54.58 51.34 2bpp n ASN 122 Cb 0.32 -0.65 0.32 0.00 -0.53 0.00 0.00 39.78 39.25 2bpp n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66