#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mkt h LEU 2 N 0.00 0.48 -0.98 0.00 5.85 -1.15 -2.00 115.31 117.51 1mkt h LEU 2 Ca 0.00 0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 1mkt h LEU 2 Cb 0.00 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 1mkt h LEU 2 CO 0.00 0.29 -0.38 -0.50 -0.34 0.00 0.00 178.44 177.51 1mkt h TRP 3 N 0.54 0.00 0.15 1.25 -0.00 -1.98 -1.35 115.95 114.55 1mkt h TRP 3 Ca 0.32 0.00 -0.27 0.00 -0.00 0.00 0.00 58.89 58.94 1mkt h TRP 3 Cb 0.54 0.00 0.03 0.00 -0.00 0.00 0.00 29.16 29.73 1mkt h TRP 3 CO -0.00 0.38 -1.15 1.96 -0.00 0.00 0.00 178.44 179.63 1mkt h GLN 4 N 0.00 0.51 -0.72 0.49 7.50 -1.77 -2.57 115.11 118.55 1mkt h GLN 4 Ca -0.00 -0.75 -0.03 0.00 0.50 0.00 0.00 58.65 58.37 1mkt h GLN 4 Cb 0.88 0.26 -0.03 0.00 0.05 0.00 0.00 27.48 28.63 1mkt h GLN 4 CO 0.05 1.34 0.33 0.35 -1.50 0.00 0.00 178.83 179.40 1mkt h PHE 5 N 0.05 1.05 -0.94 2.96 3.57 -1.43 0.21 116.94 122.41 1mkt h PHE 5 Ca -0.19 -0.06 0.01 0.00 3.53 0.00 0.00 57.97 61.26 1mkt h PHE 5 Cb 1.86 -0.32 -0.05 0.00 2.79 0.00 0.00 35.95 40.23 1mkt h PHE 5 CO 0.14 0.79 0.62 -0.97 -2.23 0.00 0.00 178.31 176.66 1mkt h ASN 6 N 1.02 1.08 0.05 0.41 -1.24 -1.28 -1.47 115.58 114.15 1mkt h ASN 6 Ca 0.25 -0.03 -0.16 0.00 0.71 0.00 0.00 56.30 57.07 1mkt h ASN 6 Cb 0.14 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.91 1mkt h ASN 6 CO -0.03 0.79 -0.54 1.23 -1.29 0.00 0.00 177.43 177.59 1mkt h GLY 7 N 1.28 0.58 0.93 1.57 0.00 -0.91 -2.57 103.07 103.93 1mkt h GLY 7 Ca 0.34 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 1mkt h GLY 7 CO -0.07 0.60 0.13 -0.33 0.00 0.00 0.00 176.54 176.87 1mkt h MET 8 N 0.41 0.44 -0.51 4.80 2.86 -0.12 -0.42 114.93 122.40 1mkt h MET 8 Ca 0.01 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 1mkt h MET 8 Cb 1.07 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 32.63 1mkt h MET 8 CO 0.10 0.43 0.31 0.82 1.06 0.00 0.00 176.91 179.63 1mkt h ILE 9 N 0.35 1.16 0.00 -1.22 2.04 -1.27 -1.70 117.51 116.86 1mkt h ILE 9 Ca 0.10 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.57 1mkt h ILE 9 Cb 0.15 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1mkt h ILE 9 CO -0.01 0.16 -0.16 0.11 0.00 0.00 0.00 178.15 178.25 1mkt h LYS 10 N 0.69 0.00 -0.45 2.37 1.57 -1.26 0.25 116.57 119.73 1mkt h LYS 10 Ca 0.18 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.94 1mkt h LYS 10 Cb -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1mkt h LYS 10 CO -0.03 0.16 0.19 0.00 -0.57 0.00 0.00 179.45 179.19 1mkt h LYS 12 N 0.59 0.01 -2.78 0.00 1.79 -1.16 -3.41 116.57 111.61 1mkt h LYS 12 Ca 0.15 -0.02 -0.61 0.00 -2.18 0.00 0.00 60.65 58.00 1mkt h LYS 12 Cb 0.18 0.01 -0.40 0.00 -1.58 0.00 0.00 32.23 30.44 1mkt h LYS 12 CO -0.01 0.81 -0.77 0.42 -1.08 0.00 0.00 179.45 178.82 1mkt s ILE 13 N -2.66 1.57 0.58 1.86 1.01 0.84 -4.97 121.20 119.44 1mkt s ILE 13 Ca -0.02 -3.27 0.39 0.00 0.00 0.00 0.00 60.65 57.75 1mkt s ILE 13 Cb 0.09 -2.06 0.41 0.00 0.01 0.00 0.00 42.46 40.91 1mkt s ILE 13 CO 0.82 -1.07 2.30 -0.65 0.00 0.00 0.00 174.94 176.34 1mkt h PRO 14 N 5.77 0.00 -0.00 2.79 0.11 -1.63 -2.76 132.00 136.28 1mkt h PRO 14 Ca 0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1mkt h PRO 14 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1mkt h PRO 14 CO 0.53 0.01 -0.18 -1.13 -0.21 0.00 0.00 178.00 177.02 1mkt n SER 15 N -3.28 0.33 -4.66 -2.05 3.41 -1.26 -4.93 113.62 101.17 1mkt n SER 15 Ca -0.03 -0.16 -0.30 0.00 -0.26 0.00 0.00 58.87 58.13 1mkt n SER 15 Cb 0.11 -0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 63.85 1mkt n SER 15 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1mkt s SER 16 N -2.77 4.89 -0.75 4.04 1.04 -1.04 -5.07 113.70 114.04 1mkt s SER 16 Ca 0.20 -0.22 -0.17 0.00 0.48 0.00 0.00 55.95 56.24 1mkt s SER 16 Cb 0.19 -1.12 0.15 0.00 0.10 0.00 0.00 66.02 65.34 1mkt s SER 16 CO 0.55 0.18 0.81 -1.61 0.98 0.00 0.00 173.24 174.15 1mkt s GLU 17 N -2.27 3.37 0.32 4.02 0.41 -1.26 -4.82 118.70 118.47 1mkt s GLU 17 Ca 0.25 -1.86 0.09 0.00 -0.41 0.00 0.00 54.97 53.04 1mkt s GLU 17 Cb -0.12 -4.48 0.91 0.00 -1.78 0.00 0.00 34.13 28.66 1mkt s GLU 17 CO 0.17 -1.49 1.69 -1.35 -0.49 0.00 0.00 175.26 173.79 1mkt h PRO 18 N 8.58 0.39 0.00 0.39 0.11 -1.93 0.15 132.00 139.69 1mkt h PRO 18 Ca -0.05 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.01 1mkt h PRO 18 Cb 1.06 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.07 1mkt h PRO 18 CO 0.98 0.26 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.82 1mkt h LEU 19 N 0.41 0.00 0.00 2.35 -0.00 -1.94 -0.77 115.31 115.35 1mkt h LEU 19 Ca 0.65 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 58.18 1mkt h LEU 19 Cb 1.34 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.95 1mkt h LEU 19 CO -0.56 0.13 -1.92 0.18 -0.00 0.00 0.00 178.44 176.27 1mkt n LEU 20 N -3.61 1.94 -0.17 1.67 7.99 0.09 -4.03 117.00 120.89 1mkt n LEU 20 Ca -0.02 0.37 -0.11 0.00 -0.01 0.00 0.00 56.01 56.25 1mkt n LEU 20 Cb 0.26 -0.90 0.00 0.00 -0.11 0.00 0.00 43.42 42.67 1mkt n LEU 20 CO 0.30 0.44 0.72 0.44 -1.51 0.00 0.00 177.39 177.79 1mkt h ASP 21 N -0.96 0.96 -0.00 -1.43 3.32 -0.81 -3.32 116.42 114.18 1mkt h ASP 21 Ca -0.53 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.16 1mkt h ASP 21 Cb 1.48 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1mkt h ASP 21 CO -0.31 1.11 -0.79 0.49 -1.72 0.00 0.00 179.24 178.02 1mkt n PHE 22 N -4.20 0.00 -2.46 4.55 3.72 -0.30 -4.92 117.46 113.85 1mkt n PHE 22 Ca 0.00 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.00 1mkt n PHE 22 Cb 0.40 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 1mkt n PHE 22 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1mkt s ASN 23 N -2.60 7.24 -1.10 4.37 2.47 -1.20 -3.68 114.94 120.44 1mkt s ASN 23 Ca 0.07 2.25 -0.06 0.00 0.42 0.00 0.00 52.86 55.54 1mkt s ASN 23 Cb 0.13 -2.62 -0.05 0.00 -1.45 0.00 0.00 41.25 37.26 1mkt s ASN 23 CO 0.69 -0.19 0.91 0.59 -3.72 0.00 0.00 177.10 175.39 1mkt n ASN 24 N 1.52 -5.45 -4.11 -4.21 4.13 -0.67 -4.71 115.26 101.77 1mkt n ASN 24 Ca 0.00 -0.73 -0.29 0.00 1.68 0.00 0.00 54.58 55.24 1mkt n ASN 24 Cb 0.45 -4.96 -0.17 0.00 -1.54 0.00 0.00 39.78 33.56 1mkt n ASN 24 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1mkt s TYR 25 N -3.41 2.11 0.00 3.10 6.14 -0.93 0.14 117.35 124.50 1mkt s TYR 25 Ca 0.36 -0.92 0.00 0.00 0.64 0.00 0.00 57.07 57.15 1mkt s TYR 25 Cb -0.06 -1.47 0.00 0.00 0.42 0.00 0.00 41.96 40.85 1mkt s TYR 25 CO 0.75 -0.43 0.00 0.41 0.64 0.00 0.00 175.55 176.92 1mkt n GLY 26 N 3.89 1.46 0.01 8.97 0.00 0.13 -2.58 105.19 117.06 1mkt n GLY 26 Ca -0.20 -0.59 0.10 0.00 0.00 0.00 0.00 46.02 45.33 1mkt n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mkt n TYR 28 N -1.75 0.00 -2.19 0.00 4.02 -1.25 -3.00 117.16 112.98 1mkt n TYR 28 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.51 1mkt n TYR 28 Cb 0.41 -0.13 -0.03 0.00 -0.02 0.00 0.00 39.34 39.57 1mkt n TYR 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1mkt n GLY 30 N 5.56 1.26 3.58 0.00 0.00 -1.26 -1.66 105.19 112.67 1mkt n GLY 30 Ca 0.16 -2.01 -0.51 0.00 0.00 0.00 0.00 46.02 43.66 1mkt n GLY 30 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1mkt n LEU 31 N 0.00 1.52 0.00 0.99 7.94 -1.26 -4.62 117.00 121.57 1mkt n LEU 31 Ca 0.00 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 56.03 1mkt n LEU 31 Cb 0.00 -1.19 0.00 0.00 0.53 0.00 0.00 43.42 42.76 1mkt n LEU 31 CO 0.00 -1.21 0.00 0.61 -1.11 0.00 0.00 177.39 175.68 1mkt n GLY 32 N 2.25 0.53 0.00 -3.96 0.00 -1.26 -5.01 105.19 97.74 1mkt n GLY 32 Ca 0.17 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1mkt n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mkt n GLY 33 N 0.00 3.75 3.38 -0.02 0.00 -1.26 -4.71 105.19 106.34 1mkt n GLY 33 Ca 0.00 -0.48 -0.10 0.00 0.00 0.00 0.00 46.02 45.44 1mkt n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1mkt s SER 34 N 0.00 0.04 0.00 1.61 1.04 -1.16 -4.94 113.70 110.29 1mkt s SER 34 Ca 0.00 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1mkt s SER 34 Cb 0.00 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1mkt s SER 34 CO 0.00 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.87 1mkt n GLY 35 N -0.29 -1.56 3.65 7.32 0.00 -1.26 -4.75 105.19 108.30 1mkt n GLY 35 Ca -0.02 -1.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 1mkt n GLY 35 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mkt s THR 36 N 0.00 4.62 0.30 2.61 2.01 -1.26 -5.06 115.64 118.86 1mkt s THR 36 Ca 0.00 -0.11 -0.29 0.00 0.31 0.00 0.00 61.69 61.60 1mkt s THR 36 Cb 0.00 -3.03 -0.13 0.00 0.01 0.00 0.00 72.50 69.35 1mkt s THR 36 CO 0.00 0.52 1.29 -2.65 -0.69 0.00 0.00 174.62 173.08 1mkt n PRO 37 N 3.04 1.99 0.16 4.92 -0.02 -1.26 -4.83 135.00 139.00 1mkt n PRO 37 Ca -0.18 0.70 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 1mkt n PRO 37 Cb 0.53 -2.28 0.26 0.00 -0.02 0.00 0.00 33.50 31.99 1mkt n PRO 37 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 1mkt h VAL 38 N 2.63 0.00 -1.89 -1.45 -1.51 -1.96 -3.47 116.25 108.59 1mkt h VAL 38 Ca -0.45 -0.77 0.00 0.00 -1.23 0.00 0.00 66.70 64.25 1mkt h VAL 38 Cb 1.29 1.73 -0.00 0.00 -2.13 0.00 0.00 31.29 32.18 1mkt h VAL 38 CO 0.66 0.00 0.03 -0.90 -1.23 0.00 0.00 177.57 176.13 1mkt n ASP 39 N -2.71 -0.13 0.08 4.19 5.68 -1.26 -5.03 116.55 117.37 1mkt n ASP 39 Ca 0.04 -1.09 -0.02 0.00 -0.50 0.00 0.00 54.79 53.23 1mkt n ASP 39 Cb 0.49 0.22 0.23 0.00 -1.14 0.00 0.00 41.12 40.92 1mkt n ASP 39 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 1mkt h ASP 40 N 0.13 0.30 -0.08 -1.12 3.32 -1.93 -0.63 116.42 116.40 1mkt h ASP 40 Ca -0.02 -0.12 -0.04 0.00 0.02 0.00 0.00 57.03 56.87 1mkt h ASP 40 Cb 0.08 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 1mkt h ASP 40 CO 0.03 0.65 -0.10 0.25 -1.72 0.00 0.00 179.24 178.34 1mkt h LEU 41 N 0.25 0.24 -1.45 1.55 5.85 -1.94 -1.51 115.31 118.30 1mkt h LEU 41 Ca 0.03 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.26 1mkt h LEU 41 Cb 0.77 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.70 1mkt h LEU 41 CO 0.06 0.70 0.39 -0.78 -0.34 0.00 0.00 178.44 178.46 1mkt h ASP 42 N -0.22 0.63 0.26 1.25 3.58 -1.88 -0.18 116.42 119.86 1mkt h ASP 42 Ca 0.01 -0.01 -0.11 0.00 0.42 0.00 0.00 57.03 57.34 1mkt h ASP 42 Cb 0.64 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 1mkt h ASP 42 CO 0.02 0.45 -0.43 -0.09 -2.88 0.00 0.00 179.24 176.31 1mkt h ARG 43 N 0.74 0.22 -0.96 0.28 2.43 -0.83 -0.70 114.38 115.57 1mkt h ARG 43 Ca 0.23 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1mkt h ARG 43 Cb -0.00 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.50 1mkt h ARG 43 CO -0.06 0.62 0.62 0.00 -1.51 0.00 0.00 179.97 179.64 1mkt h GLN 46 N 0.85 0.40 -0.90 0.00 4.15 -0.49 0.32 115.11 119.44 1mkt h GLN 46 Ca 0.12 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.48 1mkt h GLN 46 Cb 0.75 -0.06 -0.05 0.00 0.21 0.00 0.00 27.48 28.33 1mkt h GLN 46 CO 0.06 0.47 0.58 1.15 -1.93 0.00 0.00 178.83 179.16 1mkt h THR 47 N 0.26 1.15 -0.87 2.39 2.02 -1.05 -0.40 112.91 116.41 1mkt h THR 47 Ca 0.08 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 1mkt h THR 47 Cb 0.23 -0.08 -0.04 0.00 -1.74 0.00 0.00 68.15 66.52 1mkt h THR 47 CO -0.00 0.21 0.47 -0.74 0.37 0.00 0.00 175.52 175.82 1mkt h HIS 48 N 1.14 1.20 -0.40 3.16 -0.00 -0.75 0.33 115.15 119.82 1mkt h HIS 48 Ca 0.36 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.37 60.63 1mkt h HIS 48 Cb -0.01 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.01 1mkt h HIS 48 CO -0.01 0.83 0.01 -0.44 -0.00 0.00 0.00 177.93 178.32 1mkt h ASP 49 N 1.22 0.68 -0.80 3.26 5.19 0.01 -1.58 116.42 124.40 1mkt h ASP 49 Ca 0.31 -0.30 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 1mkt h ASP 49 Cb 0.04 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.33 1mkt h ASP 49 CO -0.05 0.81 0.37 0.78 -3.12 0.00 0.00 179.24 178.03 1mkt h ASN 50 N 0.53 1.07 -0.58 6.45 2.35 -0.58 -1.34 115.58 123.49 1mkt h ASN 50 Ca 0.12 -0.14 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1mkt h ASN 50 Cb 0.45 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 1mkt h ASN 50 CO 0.02 0.91 0.37 0.00 -1.65 0.00 0.00 177.43 177.08 1mkt h TYR 52 N 0.78 0.02 -0.23 0.00 -1.99 -1.02 -0.98 116.97 113.56 1mkt h TYR 52 Ca 0.21 -0.00 -0.18 0.00 2.00 0.00 0.00 58.73 60.76 1mkt h TYR 52 Cb -0.05 -0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.67 1mkt h TYR 52 CO -0.03 0.40 -0.57 0.87 -0.00 0.00 0.00 178.16 178.83 1mkt h LYS 53 N 0.01 0.71 -0.22 4.88 1.57 -0.59 -2.81 116.57 120.13 1mkt h LYS 53 Ca -0.00 -0.46 -0.02 0.00 -1.87 0.00 0.00 60.65 58.30 1mkt h LYS 53 Cb 0.69 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.05 1mkt h LYS 53 CO 0.05 1.08 0.04 0.37 -0.57 0.00 0.00 179.45 180.43 1mkt h GLN 54 N 0.54 0.35 -0.79 3.15 5.75 -0.50 -2.90 115.11 120.72 1mkt h GLN 54 Ca 0.01 -0.09 0.14 0.00 -0.15 0.00 0.00 58.65 58.56 1mkt h GLN 54 Cb 1.15 -0.04 -0.09 0.00 1.07 0.00 0.00 27.48 29.56 1mkt h GLN 54 CO 0.12 0.48 0.36 0.00 -2.65 0.00 0.00 178.83 177.14 1mkt h ALA 55 N 0.85 1.14 -0.01 3.38 0.00 -1.19 0.10 119.26 123.53 1mkt h ALA 55 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1mkt h ALA 55 Cb 0.30 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1mkt h ALA 55 CO 0.00 -0.15 0.01 0.87 0.00 0.00 0.00 179.25 179.98 1mkt h LYS 56 N 0.53 0.00 0.00 0.00 1.57 -1.28 -1.22 116.57 116.16 1mkt h LYS 56 Ca 0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.21 1mkt h LYS 56 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.93 1mkt h LYS 56 CO -0.38 0.00 0.00 0.87 -0.57 0.00 0.00 179.45 179.37 1mkt h LYS 57 N 0.00 0.00 -6.70 3.15 1.79 -0.92 -3.42 116.57 110.47 1mkt h LYS 57 Ca 0.01 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.95 1mkt h LYS 57 Cb 0.03 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 30.72 1mkt h LYS 57 CO -0.00 0.00 0.72 -0.51 -1.08 0.00 0.00 179.45 178.58 1mkt s LEU 58 N -6.19 4.40 0.27 2.94 1.43 -0.46 -4.92 118.68 116.15 1mkt s LEU 58 Ca 0.06 2.54 0.00 0.00 -1.03 0.00 0.00 54.13 55.69 1mkt s LEU 58 Cb 0.06 -3.61 0.53 0.00 0.03 0.00 0.00 46.19 43.20 1mkt s LEU 58 CO 0.64 -0.63 1.82 0.44 0.23 0.00 0.00 176.35 178.85 1mkt h ASP 59 N 5.32 0.84 -0.34 2.29 3.32 -1.88 -1.62 116.42 124.36 1mkt h ASP 59 Ca -0.45 0.05 -0.09 0.00 0.02 0.00 0.00 57.03 56.57 1mkt h ASP 59 Cb 1.22 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 1mkt h ASP 59 CO 0.78 0.44 -0.08 0.28 -1.72 0.00 0.00 179.24 178.94 1mkt h SER 60 N 0.92 0.74 0.33 6.45 0.02 -1.93 -2.97 113.55 117.10 1mkt h SER 60 Ca 0.48 -0.20 -0.17 0.00 -0.84 0.00 0.00 61.79 61.06 1mkt h SER 60 Cb 0.50 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.83 1mkt h SER 60 CO -0.28 0.85 -0.68 0.00 -1.14 0.00 0.00 176.83 175.59 1mkt n LYS 62 N -3.84 0.83 0.03 0.00 5.02 -0.79 -2.68 118.16 116.73 1mkt n LYS 62 Ca -0.03 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.34 1mkt n LYS 62 Cb 0.67 -1.32 -0.10 0.00 -0.02 0.00 0.00 35.03 34.27 1mkt n LYS 62 CO 0.00 0.00 0.00 1.55 -0.52 0.00 0.00 177.40 178.43 1mkt n VAL 63 N -0.82 0.48 -3.91 -0.18 3.14 -1.18 -4.89 118.33 110.98 1mkt n VAL 63 Ca 0.13 -0.57 -0.35 0.00 -2.96 0.00 0.00 64.34 60.58 1mkt n VAL 63 Cb 0.06 -0.25 -0.09 0.00 -1.06 0.00 0.00 33.84 32.50 1mkt n VAL 63 CO 0.00 0.00 0.00 -1.48 -6.46 0.00 0.00 176.83 168.89 1mkt s LEU 64 N -5.05 4.01 -0.87 6.55 0.05 -1.09 -5.02 118.68 117.26 1mkt s LEU 64 Ca -0.05 0.18 -0.23 0.00 0.05 0.00 0.00 54.13 54.08 1mkt s LEU 64 Cb 0.11 -2.01 0.07 0.00 -2.05 0.00 0.00 46.19 42.30 1mkt s LEU 64 CO 0.85 0.21 1.25 0.54 -0.55 0.00 0.00 176.35 178.66 1mkt s VAL 65 N 0.14 4.12 -0.30 1.48 0.11 -1.26 -4.88 120.40 119.81 1mkt s VAL 65 Ca 0.07 -0.58 -0.15 0.00 -2.93 0.00 0.00 61.98 58.38 1mkt s VAL 65 Cb -0.12 -4.90 0.16 0.00 -1.53 0.00 0.00 36.38 29.99 1mkt s VAL 65 CO -0.00 -1.74 0.98 -0.62 -3.33 0.00 0.00 175.10 170.38 1mkt s ASP 66 N 4.16 -0.58 0.41 3.54 -1.08 -1.26 -5.06 116.67 116.80 1mkt s ASP 66 Ca 0.36 0.82 -0.25 0.00 -0.52 0.00 0.00 52.55 52.96 1mkt s ASP 66 Cb -0.06 1.58 -0.08 0.00 -1.46 0.00 0.00 42.92 42.90 1mkt s ASP 66 CO -0.00 -0.12 1.17 0.21 0.52 0.00 0.00 175.17 176.95 1mkt s ASN 67 N 2.23 6.47 0.60 -0.34 2.47 -1.26 -4.71 114.94 120.39 1mkt s ASN 67 Ca -0.04 2.35 0.29 0.00 0.42 0.00 0.00 52.86 55.88 1mkt s ASN 67 Cb -0.06 -2.61 1.44 0.00 -1.45 0.00 0.00 41.25 38.57 1mkt s ASN 67 CO -0.17 -0.71 1.85 -0.65 -3.72 0.00 0.00 177.10 173.69 1mkt h PRO 68 N 2.56 0.00 -0.01 0.43 0.11 -1.97 0.32 132.00 133.44 1mkt h PRO 68 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1mkt h PRO 68 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1mkt h PRO 68 CO 0.62 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 179.05 1mkt n TYR 69 N -3.60 0.00 0.00 0.65 4.01 -1.26 -3.34 117.16 113.62 1mkt n TYR 69 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.83 1mkt n TYR 69 Cb 0.71 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.72 1mkt n TYR 69 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1mkt n THR 70 N -0.29 0.00 -2.30 -0.72 -1.04 0.77 -0.74 114.28 109.96 1mkt n THR 70 Ca 0.20 -0.09 -0.39 0.00 -2.04 0.00 0.00 64.05 61.73 1mkt n THR 70 Cb 0.28 0.53 -0.03 0.00 -1.82 0.00 0.00 70.33 69.28 1mkt n THR 70 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1mkt s ASN 71 N -1.21 5.74 0.51 8.00 2.47 0.71 -4.70 114.94 126.46 1mkt s ASN 71 Ca 0.00 -0.26 -0.21 0.00 0.42 0.00 0.00 52.86 52.81 1mkt s ASN 71 Cb 0.00 -2.55 -0.06 0.00 -1.45 0.00 0.00 41.25 37.19 1mkt s ASN 71 CO 0.00 -2.11 1.20 0.20 -3.72 0.00 0.00 177.10 172.67 1mkt s ASN 72 N 6.04 5.76 0.26 -4.21 0.01 -1.26 0.54 114.94 122.09 1mkt s ASN 72 Ca 0.52 2.39 -0.01 0.00 -0.71 0.00 0.00 52.86 55.05 1mkt s ASN 72 Cb -0.09 -2.61 -0.02 0.00 0.41 0.00 0.00 41.25 38.94 1mkt s ASN 72 CO 0.13 -1.20 0.28 -0.72 -1.51 0.00 0.00 177.10 174.08 1mkt s TYR 73 N -1.54 1.16 -0.08 2.20 -0.85 -1.26 -4.75 117.35 112.22 1mkt s TYR 73 Ca 0.69 -1.33 0.01 0.00 -0.52 0.00 0.00 57.07 55.92 1mkt s TYR 73 Cb -0.30 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 41.62 1mkt s TYR 73 CO 0.36 -0.84 -0.11 -1.12 -1.52 0.00 0.00 175.55 172.32 1mkt s SER 74 N -3.20 4.26 0.28 -0.18 0.01 -1.26 -4.90 113.70 108.71 1mkt s SER 74 Ca 0.35 -0.18 -0.18 0.00 1.31 0.00 0.00 55.95 57.26 1mkt s SER 74 Cb 0.03 -1.21 0.02 0.00 0.21 0.00 0.00 66.02 65.07 1mkt s SER 74 CO 0.17 0.29 0.65 -0.72 0.41 0.00 0.00 173.24 174.04 1mkt s TYR 75 N -0.38 0.03 0.04 2.43 1.13 -1.26 -1.57 117.35 117.77 1mkt s TYR 75 Ca 0.05 -0.48 0.00 0.00 -1.41 0.00 0.00 57.07 55.24 1mkt s TYR 75 Cb -0.12 0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 41.26 1mkt s TYR 75 CO 0.02 -1.20 -0.04 -1.54 -2.51 0.00 0.00 175.55 170.28 1mkt s SER 76 N -2.97 0.57 -0.17 -0.18 1.04 -0.09 -4.92 113.70 106.99 1mkt s SER 76 Ca 0.15 -0.73 0.01 0.00 0.48 0.00 0.00 55.95 55.86 1mkt s SER 76 Cb -0.04 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.20 1mkt s SER 76 CO 0.08 -0.39 -0.19 0.00 0.98 0.00 0.00 173.24 173.72 1mkt s SER 78 N 1.08 0.79 -1.41 0.00 0.15 -0.61 -4.86 113.70 108.84 1mkt s SER 78 Ca -0.00 0.28 -0.05 0.00 0.70 0.00 0.00 55.95 56.87 1mkt s SER 78 Cb -0.14 0.18 0.03 0.00 -1.71 0.00 0.00 66.02 64.38 1mkt s SER 78 CO -0.07 -0.24 0.74 0.59 1.20 0.00 0.00 173.24 175.46 1mkt n ASN 79 N 5.26 -2.13 -2.15 5.45 4.13 -1.26 -1.24 115.26 123.31 1mkt n ASN 79 Ca -0.05 -0.85 -0.17 0.00 1.68 0.00 0.00 54.58 55.19 1mkt n ASN 79 Cb 0.50 -3.78 -0.03 0.00 -1.54 0.00 0.00 39.78 34.93 1mkt n ASN 79 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 1mkt n ASN 80 N -2.97 -4.79 -4.47 6.41 4.13 -1.26 -4.99 115.26 107.32 1mkt n ASN 80 Ca -0.19 0.18 -0.33 0.00 1.68 0.00 0.00 54.58 55.92 1mkt n ASN 80 Cb 0.63 -4.11 -0.13 0.00 -1.54 0.00 0.00 39.78 34.63 1mkt n ASN 80 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 1mkt s GLU 81 N -4.57 2.69 -0.16 3.52 2.12 -0.38 -4.60 118.70 117.32 1mkt s GLU 81 Ca 0.00 -0.68 -0.12 0.00 0.36 0.00 0.00 54.97 54.54 1mkt s GLU 81 Cb 0.00 -2.45 -0.05 0.00 0.26 0.00 0.00 34.13 31.90 1mkt s GLU 81 CO 0.00 0.55 0.21 0.42 -0.54 0.00 0.00 175.26 175.91 1mkt s ILE 82 N -0.54 5.36 -0.15 -3.70 1.01 -1.26 -1.57 121.20 120.35 1mkt s ILE 82 Ca 0.08 0.38 -0.01 0.00 0.00 0.00 0.00 60.65 61.09 1mkt s ILE 82 Cb -0.12 -3.54 0.04 0.00 0.01 0.00 0.00 42.46 38.85 1mkt s ILE 82 CO 0.01 0.44 -0.04 -0.89 0.00 0.00 0.00 174.94 174.47 1mkt s THR 83 N 0.18 0.93 0.07 2.92 2.01 -0.53 -4.98 115.64 116.25 1mkt s THR 83 Ca 0.13 -0.47 -0.30 0.00 0.31 0.00 0.00 61.69 61.36 1mkt s THR 83 Cb -0.12 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.22 1mkt s THR 83 CO 0.02 0.14 1.03 0.00 -0.69 0.00 0.00 174.62 175.13 1mkt s SER 85 N 0.55 6.90 0.13 0.00 0.15 -0.61 -4.96 113.70 115.86 1mkt s SER 85 Ca 0.51 1.96 0.19 0.00 0.70 0.00 0.00 55.95 59.32 1mkt s SER 85 Cb -0.25 -2.58 0.81 0.00 -1.71 0.00 0.00 66.02 62.30 1mkt s SER 85 CO 0.30 -0.39 1.60 -1.54 1.20 0.00 0.00 173.24 174.41 1mkt n SER 86 N 0.00 0.35 0.13 5.45 3.41 -1.26 -1.98 113.62 119.72 1mkt n SER 86 Ca 0.05 0.58 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 1mkt n SER 86 Cb 0.50 -0.66 0.49 0.00 -0.26 0.00 0.00 64.21 64.28 1mkt n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1mkt n GLU 87 N -1.88 0.21 -2.21 4.33 4.71 -1.26 -4.75 120.64 119.79 1mkt n GLU 87 Ca 0.03 0.40 -0.42 0.00 -0.01 0.00 0.00 57.16 57.16 1mkt n GLU 87 Cb 0.21 -1.88 -0.03 0.00 -1.01 0.00 0.00 31.44 28.73 1mkt n GLU 87 CO 0.00 0.00 0.00 -0.80 0.09 0.00 0.00 177.13 176.42 1mkt s ASN 88 N -4.34 6.86 0.78 1.62 0.02 -0.84 -5.02 114.94 114.02 1mkt s ASN 88 Ca 0.05 2.27 -0.11 0.00 -1.02 0.00 0.00 52.86 54.04 1mkt s ASN 88 Cb 0.10 -2.58 0.06 0.00 0.02 0.00 0.00 41.25 38.84 1mkt s ASN 88 CO 0.43 -0.63 1.09 0.20 0.02 0.00 0.00 177.10 178.21 1mkt s ASN 89 N 1.15 4.70 0.26 -1.22 0.02 -1.26 -4.64 114.94 113.95 1mkt s ASN 89 Ca 0.64 1.33 -0.09 0.00 -1.02 0.00 0.00 52.86 53.71 1mkt s ASN 89 Cb -0.35 -2.09 0.40 0.00 0.02 0.00 0.00 41.25 39.23 1mkt s ASN 89 CO 0.30 -1.84 1.58 0.00 0.02 0.00 0.00 177.10 177.16 1mkt h ALA 90 N -1.00 0.60 0.78 0.60 0.00 -1.97 0.84 119.26 119.12 1mkt h ALA 90 Ca -0.46 0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 1mkt h ALA 90 Cb 1.26 0.67 0.01 0.00 0.00 0.00 0.00 17.79 19.73 1mkt h ALA 90 CO 0.59 -0.40 -0.38 0.00 0.00 0.00 0.00 179.25 179.07 1mkt h GLU 92 N -1.20 0.58 -0.31 0.00 3.07 -1.82 -0.50 114.58 114.40 1mkt h GLU 92 Ca -0.11 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.59 1mkt h GLU 92 Cb 0.82 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 28.59 1mkt h GLU 92 CO 0.18 0.38 -0.34 0.00 -1.40 0.00 0.00 179.01 177.83 1mkt h ALA 93 N 1.62 0.83 -0.16 3.43 0.00 -0.76 -0.48 119.26 123.74 1mkt h ALA 93 Ca 0.53 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1mkt h ALA 93 Cb 1.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 1mkt h ALA 93 CO -0.27 0.64 0.01 0.35 0.00 0.00 0.00 179.25 179.98 1mkt h PHE 94 N 0.57 0.29 -0.52 0.00 3.57 -0.43 -1.82 116.94 118.61 1mkt h PHE 94 Ca 0.06 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1mkt h PHE 94 Cb 0.85 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.49 1mkt h PHE 94 CO 0.04 0.46 0.33 0.82 -2.23 0.00 0.00 178.31 177.73 1mkt h ILE 95 N 0.04 1.15 -0.62 1.41 1.08 -1.26 -1.70 117.51 117.60 1mkt h ILE 95 Ca 0.05 -0.30 0.03 0.00 -0.39 0.00 0.00 64.86 64.25 1mkt h ILE 95 Cb 0.34 0.42 -0.04 0.00 -3.07 0.00 0.00 36.82 34.46 1mkt h ILE 95 CO 0.01 0.14 0.37 0.00 -0.69 0.00 0.00 178.15 177.98 1mkt h ASN 97 N 0.72 1.04 -0.22 0.00 -1.24 -0.78 -0.40 115.58 114.70 1mkt h ASN 97 Ca 0.25 -0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.18 1mkt h ASN 97 Cb 0.05 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 38.82 1mkt h ASN 97 CO -0.12 0.84 0.14 0.00 -1.29 0.00 0.00 177.43 177.01 1mkt h ASP 99 N 0.29 0.82 -0.35 0.00 3.32 -0.98 -2.55 116.42 116.97 1mkt h ASP 99 Ca 0.08 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 1mkt h ASP 99 Cb -0.02 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1mkt h ASP 99 CO -0.02 0.74 0.13 -0.09 -1.72 0.00 0.00 179.24 178.29 1mkt h ARG 100 N 0.84 0.53 -0.78 3.56 2.43 -0.92 -1.65 114.38 118.39 1mkt h ARG 100 Ca 0.21 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1mkt h ARG 100 Cb 0.16 -0.08 -0.04 0.00 -0.42 0.00 0.00 29.97 29.59 1mkt h ARG 100 CO -0.02 0.53 0.49 -0.91 -1.51 0.00 0.00 179.97 178.55 1mkt h ASN 101 N 0.41 0.91 -0.21 -3.80 2.35 -1.32 -2.48 115.58 111.45 1mkt h ASN 101 Ca 0.12 -0.04 -0.11 0.00 -0.55 0.00 0.00 56.30 55.72 1mkt h ASN 101 Cb 0.20 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 38.34 1mkt h ASN 101 CO -0.01 0.68 -0.28 0.00 -1.65 0.00 0.00 177.43 176.17 1mkt h ALA 102 N 1.48 0.32 -0.71 -0.83 0.00 -1.31 -0.39 119.26 117.82 1mkt h ALA 102 Ca 0.28 -0.40 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1mkt h ALA 102 Cb -0.08 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 1mkt h ALA 102 CO -0.06 0.32 0.42 0.00 0.00 0.00 0.00 179.25 179.93 1mkt h ALA 103 N 0.63 0.95 -0.45 0.00 0.00 -1.21 0.16 119.26 119.34 1mkt h ALA 103 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1mkt h ALA 103 Cb 0.85 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1mkt h ALA 103 CO 0.07 0.13 -0.16 0.82 0.00 0.00 0.00 179.25 180.11 1mkt h ILE 104 N 0.78 1.27 0.03 0.00 2.04 -1.37 -2.35 117.51 117.92 1mkt h ILE 104 Ca 0.31 -1.30 0.01 0.00 1.00 0.00 0.00 64.86 64.87 1mkt h ILE 104 Cb 0.14 1.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.37 1mkt h ILE 104 CO -0.16 0.45 -0.05 0.00 0.00 0.00 0.00 178.15 178.39 1mkt h PHE 106 N -0.10 0.28 0.00 0.00 -1.00 -0.59 0.42 116.94 115.95 1mkt h PHE 106 Ca 0.01 0.04 0.00 0.00 2.81 0.00 0.00 57.97 60.83 1mkt h PHE 106 Cb 0.11 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 39.66 1mkt h PHE 106 CO -0.11 -0.05 0.00 -1.13 -1.61 0.00 0.00 178.31 175.42 1mkt n SER 107 N -5.13 0.00 -0.00 2.17 3.41 -0.90 -3.32 113.62 109.85 1mkt n SER 107 Ca 0.12 0.23 0.07 0.00 -0.26 0.00 0.00 58.87 59.03 1mkt n SER 107 Cb 0.40 -0.39 -0.09 0.00 -0.26 0.00 0.00 64.21 63.88 1mkt n SER 107 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1mkt n LYS 108 N -1.39 1.90 -3.85 4.33 4.76 0.12 -5.04 118.16 119.00 1mkt n LYS 108 Ca 0.08 -0.03 -0.21 0.00 -2.87 0.00 0.00 58.31 55.27 1mkt n LYS 108 Cb 0.21 -1.21 -0.04 0.00 -1.84 0.00 0.00 35.03 32.15 1mkt n LYS 108 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1mkt s VAL 109 N -2.49 3.47 0.51 -0.18 -7.23 -1.07 -5.11 120.40 108.31 1mkt s VAL 109 Ca 0.03 -1.41 -0.20 0.00 -1.81 0.00 0.00 61.98 58.59 1mkt s VAL 109 Cb 0.10 -3.16 -0.07 0.00 0.56 0.00 0.00 36.38 33.81 1mkt s VAL 109 CO 0.59 -0.17 1.07 -2.84 -0.31 0.00 0.00 175.10 173.43 1mkt s PRO 110 N -3.98 3.62 -0.26 4.82 0.02 -1.26 -4.97 135.00 132.99 1mkt s PRO 110 Ca 0.40 1.43 -0.07 0.00 0.02 0.00 0.00 61.00 62.79 1mkt s PRO 110 Cb -0.05 -2.06 -0.02 0.00 0.02 0.00 0.00 34.50 32.39 1mkt s PRO 110 CO 0.26 -0.59 0.06 -0.47 -0.33 0.00 0.00 177.00 175.93 1mkt s TYR 111 N -1.95 3.08 -0.37 6.54 5.04 -1.26 -4.43 117.35 124.01 1mkt s TYR 111 Ca 0.69 -0.63 -0.06 0.00 -2.44 0.00 0.00 57.07 54.63 1mkt s TYR 111 Cb -0.19 -2.23 0.06 0.00 0.35 0.00 0.00 41.96 39.96 1mkt s TYR 111 CO 0.23 -0.44 0.16 -0.80 -1.34 0.00 0.00 175.55 173.36 1mkt s ASN 112 N 1.57 5.38 0.58 4.32 0.01 -1.26 -4.97 114.94 120.58 1mkt s ASN 112 Ca 0.05 -1.39 0.28 0.00 -0.71 0.00 0.00 52.86 51.09 1mkt s ASN 112 Cb -0.16 -1.89 1.63 0.00 0.41 0.00 0.00 41.25 41.25 1mkt s ASN 112 CO 0.02 -0.42 2.12 0.11 -1.51 0.00 0.00 177.10 177.43 1mkt h LYS 113 N 8.24 0.00 -0.13 -0.60 1.57 -2.00 -1.17 116.57 122.48 1mkt h LYS 113 Ca -0.22 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.60 1mkt h LYS 113 Cb 1.08 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.38 1mkt h LYS 113 CO 0.66 0.00 0.12 0.93 -0.57 0.00 0.00 179.45 180.59 1mkt h GLU 114 N 0.00 0.00 -0.16 3.15 3.07 -2.05 -1.35 114.58 117.24 1mkt h GLU 114 Ca 0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 1mkt h GLU 114 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1mkt h GLU 114 CO -0.00 0.00 0.00 0.72 -1.40 0.00 0.00 179.01 178.33 1mkt n HIS 115 N -4.00 0.20 -2.28 4.33 8.25 -0.44 -4.80 115.22 116.48 1mkt n HIS 115 Ca 0.00 -0.10 -0.41 0.00 -0.26 0.00 0.00 57.72 56.95 1mkt n HIS 115 Cb 0.24 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.32 1mkt n HIS 115 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 1mkt s LYS 116 N -1.80 4.42 -1.50 -0.41 -0.14 -0.51 -0.70 119.74 119.11 1mkt s LYS 116 Ca 0.34 1.98 -0.12 0.00 -1.36 0.00 0.00 55.97 56.80 1mkt s LYS 116 Cb 0.19 -3.22 0.07 0.00 -1.68 0.00 0.00 37.83 33.19 1mkt s LYS 116 CO 0.28 -0.20 0.88 0.09 -0.76 0.00 0.00 175.35 175.64 1mkt n ASN 117 N 2.69 -4.85 -4.54 2.83 5.03 0.37 -4.85 115.26 111.93 1mkt n ASN 117 Ca 0.06 -0.66 -0.47 0.00 0.87 0.00 0.00 54.58 54.37 1mkt n ASN 117 Cb 0.44 -3.89 -0.03 0.00 -1.02 0.00 0.00 39.78 35.28 1mkt n ASN 117 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.26 175.32 1mkt n LEU 118 N -4.49 1.04 -4.62 3.41 -0.00 -1.13 -4.77 117.00 106.45 1mkt n LEU 118 Ca 0.02 1.16 -0.43 0.00 -0.00 0.00 0.00 56.01 56.76 1mkt n LEU 118 Cb 0.54 -1.18 -0.03 0.00 -0.00 0.00 0.00 43.42 42.75 1mkt n LEU 118 CO 0.69 -1.70 1.50 -1.81 -0.00 0.00 0.00 177.39 176.07 1mkt s ASP 119 N -0.45 6.10 0.00 1.96 1.01 -1.26 -4.81 116.67 119.22 1mkt s ASP 119 Ca 0.66 1.61 0.00 0.00 0.71 0.00 0.00 52.55 55.52 1mkt s ASP 119 Cb -0.82 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 40.59 1mkt s ASP 119 CO 0.57 -1.49 0.18 0.29 0.21 0.00 0.00 175.17 174.93 1mkt n LYS 120 N 8.06 0.00 -0.11 8.23 4.76 -1.26 -0.73 118.16 137.11 1mkt n LYS 120 Ca 0.22 0.00 0.12 0.00 -2.87 0.00 0.00 58.31 55.77 1mkt n LYS 120 Cb 0.45 -1.24 0.27 0.00 -1.84 0.00 0.00 35.03 32.67 1mkt n LYS 120 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1mkt n LYS 121 N -0.61 2.18 0.00 1.97 4.81 -1.26 -3.38 118.16 121.87 1mkt n LYS 121 Ca 0.00 -1.77 0.12 0.00 -0.87 0.00 0.00 58.31 55.80 1mkt n LYS 121 Cb 0.00 -1.47 0.24 0.00 0.02 0.00 0.00 35.03 33.82 1mkt n LYS 121 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1mkt n ASN 122 N 1.02 1.59 -0.95 3.14 4.13 0.09 -5.24 115.26 119.05 1mkt n ASN 122 Ca 0.17 -1.27 0.12 0.00 1.68 0.00 0.00 54.58 55.28 1mkt n ASN 122 Cb 0.50 0.23 0.10 0.00 -1.54 0.00 0.00 39.78 39.07 1mkt n ASN 122 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54