#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dye s ASN 2 N 0.00 1.03 0.27 6.12 2.20 -1.26 -5.04 114.94 118.25 1dye s ASN 2 Ca 0.00 -1.60 -0.02 0.00 -0.94 0.00 0.00 52.86 50.31 1dye s ASN 2 Cb 0.00 0.49 0.44 0.00 -2.00 0.00 0.00 41.25 40.18 1dye s ASN 2 CO 0.00 -0.98 1.86 -0.29 -2.94 0.00 0.00 177.10 174.75 1dye h ILE 3 N 2.33 1.02 0.08 0.54 6.09 -1.98 -1.38 117.51 124.22 1dye h ILE 3 Ca -0.29 -0.37 -0.00 0.00 -1.37 0.00 0.00 64.86 62.82 1dye h ILE 3 Cb 1.24 -0.15 0.00 0.00 0.47 0.00 0.00 36.82 38.38 1dye h ILE 3 CO 0.43 0.20 -0.04 -0.26 -3.07 0.00 0.00 178.15 175.41 1dye h PHE 4 N 1.08 -0.10 -0.68 2.19 0.04 -1.99 -0.41 116.94 117.07 1dye h PHE 4 Ca 0.44 -0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.16 1dye h PHE 4 Cb 0.27 0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.42 1dye h PHE 4 CO -0.01 0.01 0.21 0.93 -0.60 0.00 0.00 178.31 178.85 1dye h GLU 5 N -0.19 1.04 0.09 1.51 5.08 -1.91 -1.26 114.58 118.95 1dye h GLU 5 Ca -0.01 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.13 1dye h GLU 5 Cb 0.16 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dye h GLU 5 CO 0.02 0.89 -0.04 1.98 -1.00 0.00 0.00 179.01 180.86 1dye h MET 6 N 1.01 -0.12 -0.28 2.33 4.05 -1.13 -2.58 114.93 118.21 1dye h MET 6 Ca 0.22 0.01 -0.09 0.00 -0.28 0.00 0.00 59.70 59.56 1dye h MET 6 Cb 0.28 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.10 1dye h MET 6 CO -0.01 0.04 -0.21 -0.07 0.23 0.00 0.00 176.91 176.89 1dye h LEU 7 N -0.26 0.51 -1.85 3.39 3.38 -1.00 -2.26 115.31 117.22 1dye h LEU 7 Ca -0.01 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1dye h LEU 7 Cb 0.22 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 1dye h LEU 7 CO 0.02 0.73 -0.13 -0.09 0.09 0.00 0.00 178.44 179.06 1dye h ARG 8 N 0.46 0.00 0.11 1.13 9.65 -1.14 0.72 114.38 125.30 1dye h ARG 8 Ca 0.07 0.00 -0.28 0.00 -1.10 0.00 0.00 59.98 58.67 1dye h ARG 8 Cb 0.63 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 29.22 1dye h ARG 8 CO 0.04 0.13 -1.20 0.82 2.80 0.00 0.00 179.97 182.57 1dye h ILE 9 N 0.00 1.38 0.00 1.20 2.04 -1.05 -2.46 117.51 118.63 1dye h ILE 9 Ca -0.00 -2.68 -0.19 0.00 1.00 0.00 0.00 64.86 62.98 1dye h ILE 9 Cb 0.29 2.75 -0.03 0.00 -0.74 0.00 0.00 36.82 39.09 1dye h ILE 9 CO 0.02 0.80 -0.92 0.44 0.00 0.00 0.00 178.15 178.49 1dye h ASP 10 N 0.18 0.00 0.00 1.72 3.32 -0.82 -3.38 116.42 117.45 1dye h ASP 10 Ca -0.15 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.57 1dye h ASP 10 Cb 1.88 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 41.37 1dye h ASP 10 CO 0.21 0.92 -2.22 -0.62 -1.72 0.00 0.00 179.24 175.81 1dye n GLU 11 N -3.37 1.06 0.00 3.56 -0.58 0.18 -5.06 120.64 116.44 1dye n GLU 11 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.75 1dye n GLU 11 Cb 0.89 -1.45 0.00 0.00 -0.57 0.00 0.00 31.44 30.31 1dye n GLU 11 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dye n GLY 12 N 1.96 -2.47 2.91 0.62 0.00 -0.92 -4.55 105.19 102.73 1dye n GLY 12 Ca -0.30 -1.62 -0.22 0.00 0.00 0.00 0.00 46.02 43.89 1dye n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1dye s LEU 13 N 0.00 1.30 -0.05 0.99 2.96 -1.26 -4.34 118.68 118.28 1dye s LEU 13 Ca 0.00 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 1dye s LEU 13 Cb 0.00 -0.55 0.04 0.00 0.50 0.00 0.00 46.19 46.17 1dye s LEU 13 CO 0.00 -0.06 0.09 -0.13 -1.32 0.00 0.00 176.35 174.94 1dye s ARG 14 N 1.05 0.03 0.00 1.98 0.52 -0.73 -5.00 118.95 116.80 1dye s ARG 14 Ca -0.09 0.30 0.23 0.00 -0.52 0.00 0.00 55.73 55.66 1dye s ARG 14 Cb -0.14 -0.23 0.75 0.00 0.52 0.00 0.00 34.95 35.85 1dye s ARG 14 CO -0.00 -0.18 1.56 1.28 0.02 0.00 0.00 175.30 177.97 1dye n LEU 15 N 4.30 1.91 -4.09 2.53 4.77 -1.26 0.00 117.00 125.16 1dye n LEU 15 Ca -0.25 -0.76 -0.18 0.00 -0.03 0.00 0.00 56.01 54.79 1dye n LEU 15 Cb 0.51 -0.09 -0.13 0.00 -2.33 0.00 0.00 43.42 41.37 1dye n LEU 15 CO 0.18 0.38 -0.44 -0.75 -1.33 0.00 0.00 177.39 175.44 1dye s LYS 16 N -1.82 0.75 0.19 3.23 2.47 -1.26 -1.23 119.74 122.07 1dye s LYS 16 Ca 0.34 -0.63 -0.32 0.00 -1.56 0.00 0.00 55.97 53.80 1dye s LYS 16 Cb 0.19 -0.69 -0.15 0.00 -1.46 0.00 0.00 37.83 35.72 1dye s LYS 16 CO 0.29 0.17 1.27 -0.89 0.16 0.00 0.00 175.35 176.35 1dye n ILE 17 N 2.05 0.84 -4.23 5.43 5.41 -0.80 -4.77 119.36 123.30 1dye n ILE 17 Ca -0.18 -0.21 -0.16 0.00 1.00 0.00 0.00 62.75 63.20 1dye n ILE 17 Cb 0.55 -1.10 -0.09 0.00 -0.71 0.00 0.00 39.64 38.30 1dye n ILE 17 CO 0.00 0.00 0.00 -0.72 0.00 0.00 0.00 176.55 175.83 1dye s TYR 18 N -0.07 1.44 -0.11 1.39 1.13 -0.15 -4.97 117.35 116.01 1dye s TYR 18 Ca 0.72 -1.50 -0.03 0.00 -1.41 0.00 0.00 57.07 54.85 1dye s TYR 18 Cb -0.78 -0.60 -0.03 0.00 -1.10 0.00 0.00 41.96 39.45 1dye s TYR 18 CO 0.50 -0.79 0.00 0.15 -2.51 0.00 0.00 175.55 172.90 1dye s LYS 19 N -3.74 3.25 0.47 -3.49 1.02 -1.26 -0.47 119.74 115.53 1dye s LYS 19 Ca 0.39 -0.42 -0.08 0.00 0.02 0.00 0.00 55.97 55.88 1dye s LYS 19 Cb 0.04 -2.87 0.11 0.00 -0.52 0.00 0.00 37.83 34.59 1dye s LYS 19 CO 0.20 0.55 0.54 -0.40 -0.92 0.00 0.00 175.35 175.33 1dye n ASP 20 N 2.60 -0.53 0.25 2.83 5.68 0.10 -4.82 116.55 122.67 1dye n ASP 20 Ca -0.18 -1.05 0.10 0.00 -0.50 0.00 0.00 54.79 53.16 1dye n ASP 20 Cb 0.53 -0.44 0.64 0.00 -1.14 0.00 0.00 41.12 40.71 1dye n ASP 20 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 1dye h THR 21 N -1.60 0.78 -0.01 2.12 1.35 -2.00 -0.95 112.91 112.61 1dye h THR 21 Ca -0.19 -0.58 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1dye h THR 21 Cb 0.53 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1dye h THR 21 CO 0.13 0.14 -0.17 -0.62 -0.25 0.00 0.00 175.52 174.75 1dye n GLU 22 N -3.89 1.16 -0.48 4.72 -0.58 -1.26 -4.93 120.64 115.37 1dye n GLU 22 Ca -0.02 -0.70 0.00 0.00 -0.42 0.00 0.00 57.16 56.02 1dye n GLU 22 Cb 0.24 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.63 1dye n GLU 22 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1dye n GLY 23 N 1.29 0.76 3.87 0.62 0.00 -0.36 -5.07 105.19 106.30 1dye n GLY 23 Ca 0.14 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 1dye n GLY 23 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dye s TYR 24 N -2.00 3.45 0.08 1.61 2.02 -1.26 -4.62 117.35 116.63 1dye s TYR 24 Ca 0.00 0.92 -0.31 0.00 -0.37 0.00 0.00 57.07 57.31 1dye s TYR 24 Cb 0.00 -2.29 -0.09 0.00 -0.40 0.00 0.00 41.96 39.18 1dye s TYR 24 CO 0.00 0.29 1.71 0.71 -1.57 0.00 0.00 175.55 176.69 1dye s TYR 25 N -1.77 2.29 0.16 2.71 2.02 -1.22 0.01 117.35 121.55 1dye s TYR 25 Ca 0.46 0.20 -0.01 0.00 -0.37 0.00 0.00 57.07 57.35 1dye s TYR 25 Cb -0.12 -4.03 -0.04 0.00 -0.40 0.00 0.00 41.96 37.38 1dye s TYR 25 CO 0.21 -4.18 0.09 0.99 -1.57 0.00 0.00 175.55 171.08 1dye s THR 26 N 2.80 0.06 0.15 -0.71 2.01 0.38 -0.79 115.64 119.54 1dye s THR 26 Ca 0.76 -1.94 -0.18 0.00 0.31 0.00 0.00 61.69 60.64 1dye s THR 26 Cb -0.41 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 69.93 1dye s THR 26 CO 0.34 -0.29 0.48 -0.51 -0.69 0.00 0.00 174.62 173.94 1dye s ILE 27 N -4.09 0.04 0.00 1.82 2.07 -0.98 -0.97 121.20 119.09 1dye s ILE 27 Ca 0.30 -0.47 0.00 0.00 -1.41 0.00 0.00 60.65 59.06 1dye s ILE 27 Cb 0.07 -1.21 0.00 0.00 0.13 0.00 0.00 42.46 41.45 1dye s ILE 27 CO 0.06 -0.19 0.00 0.61 -1.91 0.00 0.00 174.94 173.50 1dye n GLY 28 N -0.29 3.44 3.03 1.50 0.00 0.10 -1.93 105.19 111.05 1dye n GLY 28 Ca -0.15 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 1dye n GLY 28 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1dye n ILE 29 N 0.00 4.50 -1.64 -0.61 5.41 -1.26 -1.77 119.36 124.00 1dye n ILE 29 Ca 0.00 -5.62 -0.12 0.00 1.00 0.00 0.00 62.75 58.01 1dye n ILE 29 Cb 0.00 -2.24 -0.04 0.00 -0.71 0.00 0.00 39.64 36.65 1dye n ILE 29 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1dye n GLY 30 N 1.71 0.83 3.51 7.39 0.00 -1.25 -4.88 105.19 112.51 1dye n GLY 30 Ca 0.25 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 1dye n GLY 30 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1dye s HIS 31 N -2.50 2.53 0.17 1.61 5.04 -0.81 -4.94 115.29 116.39 1dye s HIS 31 Ca 0.00 -0.21 -0.32 0.00 -1.54 0.00 0.00 55.06 53.00 1dye s HIS 31 Cb 0.00 -4.42 -0.11 0.00 0.04 0.00 0.00 32.58 28.09 1dye s HIS 31 CO 0.00 -1.78 1.77 -1.17 -2.34 0.00 0.00 174.74 171.22 1dye s LEU 32 N 4.79 4.38 -0.21 8.88 2.96 -1.26 -2.31 118.68 135.91 1dye s LEU 32 Ca 0.30 2.81 -0.17 0.00 -0.22 0.00 0.00 54.13 56.85 1dye s LEU 32 Cb -0.12 -3.58 -0.13 0.00 0.50 0.00 0.00 46.19 42.86 1dye s LEU 32 CO 0.14 -0.98 -0.07 0.18 -1.32 0.00 0.00 176.35 174.30 1dye n LEU 33 N 4.78 1.88 -3.53 -0.68 4.77 0.03 -4.96 117.00 119.28 1dye n LEU 33 Ca 0.17 0.44 -0.17 0.00 -0.03 0.00 0.00 56.01 56.42 1dye n LEU 33 Cb 0.37 -0.89 -0.06 0.00 -2.33 0.00 0.00 43.42 40.51 1dye n LEU 33 CO 0.65 0.13 0.40 0.28 -1.33 0.00 0.00 177.39 177.52 1dye s THR 34 N -2.43 0.01 -1.84 -5.08 -1.32 -1.21 -4.95 115.64 98.81 1dye s THR 34 Ca -0.28 -0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.41 1dye s THR 34 Cb 0.07 -0.97 0.26 0.00 -1.51 0.00 0.00 72.50 70.35 1dye s THR 34 CO 0.47 -0.03 1.53 0.29 -2.21 0.00 0.00 174.62 174.67 1dye n LYS 35 N 0.76 0.94 -2.36 7.08 5.02 -1.26 -3.37 118.16 124.98 1dye n LYS 35 Ca -0.19 -0.59 -0.40 0.00 -2.02 0.00 0.00 58.31 55.11 1dye n LYS 35 Cb 0.58 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 34.07 1dye n LYS 35 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1dye s SER 36 N -2.46 7.01 0.00 4.39 0.15 -1.26 -4.93 113.70 116.61 1dye s SER 36 Ca 0.25 2.38 0.13 0.00 0.70 0.00 0.00 55.95 59.40 1dye s SER 36 Cb 0.19 -2.63 0.62 0.00 -1.71 0.00 0.00 66.02 62.50 1dye s SER 36 CO 0.51 -0.33 1.32 -2.65 1.20 0.00 0.00 173.24 173.29 1dye n PRO 37 N 0.87 0.16 -3.20 5.44 -0.02 -1.26 -4.73 135.00 132.26 1dye n PRO 37 Ca 0.00 0.18 -0.40 0.00 -2.02 0.00 0.00 63.50 61.26 1dye n PRO 37 Cb 0.44 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.35 1dye n PRO 37 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1dye s SER 38 N -2.61 6.46 0.62 2.55 0.15 -1.26 -4.89 113.70 114.72 1dye s SER 38 Ca 0.11 0.54 0.38 0.00 0.70 0.00 0.00 55.95 57.69 1dye s SER 38 Cb 0.08 -2.29 2.09 0.00 -1.71 0.00 0.00 66.02 64.19 1dye s SER 38 CO 0.19 -0.32 2.29 0.25 1.20 0.00 0.00 173.24 176.86 1dye h LEU 39 N 8.83 0.00 0.08 3.45 5.85 -1.99 0.26 115.31 131.79 1dye h LEU 39 Ca -0.28 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.15 1dye h LEU 39 Cb 1.14 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 1dye h LEU 39 CO 0.73 0.01 -1.46 0.78 -0.34 0.00 0.00 178.44 178.16 1dye h ASN 40 N 0.00 0.26 0.36 1.25 2.35 -1.96 -1.35 115.58 116.49 1dye h ASN 40 Ca -0.00 -0.37 -0.03 0.00 -0.55 0.00 0.00 56.30 55.35 1dye h ASN 40 Cb 0.07 -0.09 -0.00 0.00 0.05 0.00 0.00 38.32 38.35 1dye h ASN 40 CO 0.00 1.30 -0.16 0.00 -1.65 0.00 0.00 177.43 176.92 1dye h ALA 41 N 0.66 1.35 0.24 -0.83 0.00 -0.90 -2.50 119.26 117.27 1dye h ALA 41 Ca -0.21 -0.15 -0.34 0.00 0.00 0.00 0.00 54.91 54.22 1dye h ALA 41 Cb 1.97 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 19.77 1dye h ALA 41 CO 0.14 0.20 -1.54 0.00 0.00 0.00 0.00 179.25 178.06 1dye h ALA 42 N 1.84 -0.10 0.00 0.00 0.00 -1.21 -2.97 119.26 116.82 1dye h ALA 42 Ca -0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 54.91 53.92 1dye h ALA 42 Cb 0.39 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1dye h ALA 42 CO 0.02 0.76 -0.31 0.87 0.00 0.00 0.00 179.25 180.59 1dye h LYS 43 N 0.13 0.00 0.16 0.00 1.57 -1.04 -1.25 116.57 116.15 1dye h LYS 43 Ca -0.28 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1dye h LYS 43 Cb 2.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.47 1dye h LYS 43 CO 0.26 0.31 -0.08 1.03 -0.57 0.00 0.00 179.45 180.40 1dye h SER 44 N 0.00 -0.18 -0.53 0.86 0.87 -1.55 -2.33 113.55 110.69 1dye h SER 44 Ca -0.00 -0.33 0.05 0.00 -1.23 0.00 0.00 61.79 60.28 1dye h SER 44 Cb 0.63 0.05 -0.05 0.00 -0.44 0.00 0.00 62.40 62.59 1dye h SER 44 CO 0.04 0.28 0.26 -0.33 -0.53 0.00 0.00 176.83 176.55 1dye h GLU 45 N -0.69 0.49 -0.59 2.24 4.39 -1.41 -1.17 114.58 117.84 1dye h GLU 45 Ca -0.02 -0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.71 1dye h GLU 45 Cb 0.50 -0.11 -0.05 0.00 -0.10 0.00 0.00 28.75 28.99 1dye h GLU 45 CO 0.04 0.32 0.30 1.25 -1.16 0.00 0.00 179.01 179.76 1dye h LEU 46 N 0.50 0.42 -0.87 1.33 5.85 -1.22 0.22 115.31 121.55 1dye h LEU 46 Ca 0.24 0.04 -0.11 0.00 0.84 0.00 0.00 57.88 58.89 1dye h LEU 46 Cb 0.17 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1dye h LEU 46 CO -0.18 0.28 -0.34 0.44 -0.34 0.00 0.00 178.44 178.29 1dye h ASP 47 N 0.56 0.43 -0.41 1.25 3.32 -0.90 -1.08 116.42 119.60 1dye h ASP 47 Ca 0.27 -0.17 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 1dye h ASP 47 Cb 0.20 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.61 1dye h ASP 47 CO -0.19 0.75 0.10 0.50 -1.72 0.00 0.00 179.24 178.68 1dye h LYS 48 N 0.36 0.65 -0.38 3.56 3.64 -0.50 0.18 116.57 124.07 1dye h LYS 48 Ca 0.04 -0.16 -0.08 0.00 -1.27 0.00 0.00 60.65 59.19 1dye h LYS 48 Cb 0.78 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.49 1dye h LYS 48 CO 0.06 0.67 -0.09 0.00 -2.27 0.00 0.00 179.45 177.82 1dye h ALA 49 N 0.95 1.13 0.04 5.00 0.00 -0.25 -3.29 119.26 122.84 1dye h ALA 49 Ca 0.13 -0.28 -0.32 0.00 0.00 0.00 0.00 54.91 54.43 1dye h ALA 49 Cb 0.31 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1dye h ALA 49 CO 0.00 0.55 -1.88 -0.89 0.00 0.00 0.00 179.25 177.02 1dye n ILE 50 N -4.19 1.64 -1.33 0.00 2.08 -0.44 -5.00 119.36 112.12 1dye n ILE 50 Ca 0.01 -0.75 0.00 0.00 0.56 0.00 0.00 62.75 62.57 1dye n ILE 50 Cb 0.33 -1.22 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 1dye n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1dye n GLY 51 N 1.73 0.86 3.74 7.39 0.00 0.61 -5.05 105.19 114.49 1dye n GLY 51 Ca -0.24 -0.62 -0.08 0.00 0.00 0.00 0.00 46.02 45.08 1dye n GLY 51 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1dye s ARG 52 N -2.96 1.63 -0.46 1.61 1.70 -1.15 -5.07 118.95 114.25 1dye s ARG 52 Ca 0.00 -0.84 -0.23 0.00 -0.47 0.00 0.00 55.73 54.18 1dye s ARG 52 Cb 0.00 0.60 0.03 0.00 -0.57 0.00 0.00 34.95 35.00 1dye s ARG 52 CO 0.00 -0.74 0.82 -0.80 -1.08 0.00 0.00 175.30 173.49 1dye s ASN 53 N -2.87 6.42 -0.17 -2.89 -0.87 -1.26 -4.36 114.94 108.92 1dye s ASN 53 Ca 0.08 -0.11 0.04 0.00 -1.57 0.00 0.00 52.86 51.30 1dye s ASN 53 Cb -0.05 -2.40 -0.22 0.00 -0.02 0.00 0.00 41.25 38.57 1dye s ASN 53 CO 0.02 -0.96 0.14 0.00 -2.57 0.00 0.00 177.10 173.72 1dye n ASN 55 N -3.21 -2.14 0.00 0.00 5.15 -1.26 -2.94 115.26 110.86 1dye n ASN 55 Ca -0.35 -0.54 0.00 0.00 -0.60 0.00 0.00 54.58 53.09 1dye n ASN 55 Cb 1.05 -4.57 0.00 0.00 -0.53 0.00 0.00 39.78 35.73 1dye n ASN 55 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dye n GLY 56 N -1.13 0.37 3.11 8.20 0.00 -1.26 -4.99 105.19 109.48 1dye n GLY 56 Ca -0.25 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.54 1dye n GLY 56 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1dye s VAL 57 N -1.98 1.16 0.16 1.61 1.01 -1.15 -1.90 120.40 119.31 1dye s VAL 57 Ca 0.00 -0.61 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1dye s VAL 57 Cb 0.00 -0.98 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1dye s VAL 57 CO 0.00 0.33 -0.05 0.27 0.00 0.00 0.00 175.10 175.65 1dye s ILE 58 N -0.20 0.98 0.57 2.22 -4.36 -0.36 -4.74 121.20 115.30 1dye s ILE 58 Ca 0.03 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 58.33 1dye s ILE 58 Cb -0.07 -1.99 -0.00 0.00 1.25 0.00 0.00 42.46 41.64 1dye s ILE 58 CO 0.00 -0.61 0.88 0.42 0.24 0.00 0.00 174.94 175.87 1dye s THR 59 N -3.46 3.99 0.22 8.37 -4.23 -1.26 -4.73 115.64 114.55 1dye s THR 59 Ca 0.20 0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.72 1dye s THR 59 Cb 0.04 -3.57 0.19 0.00 1.34 0.00 0.00 72.50 70.51 1dye s THR 59 CO 0.02 -0.59 1.89 0.50 -0.54 0.00 0.00 174.62 175.91 1dye h LYS 60 N -0.10 1.09 -0.61 3.99 3.64 -1.99 -0.96 116.57 121.63 1dye h LYS 60 Ca -0.46 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 58.86 1dye h LYS 60 Cb 1.24 -0.25 -0.03 0.00 -0.41 0.00 0.00 32.23 32.79 1dye h LYS 60 CO 0.61 0.72 0.37 -0.44 -2.27 0.00 0.00 179.45 178.44 1dye h ASP 61 N 1.12 0.73 -0.53 4.20 5.19 -1.98 -0.79 116.42 124.35 1dye h ASP 61 Ca 0.31 -0.06 -0.07 0.00 -0.62 0.00 0.00 57.03 56.59 1dye h ASP 61 Cb -0.10 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.20 1dye h ASP 61 CO -0.08 0.57 0.06 -0.33 -3.12 0.00 0.00 179.24 176.34 1dye h GLU 62 N 0.82 0.95 -0.42 3.56 5.08 -1.75 -0.27 114.58 122.55 1dye h GLU 62 Ca 0.22 -0.25 -0.08 0.00 -1.00 0.00 0.00 59.36 58.25 1dye h GLU 62 Cb -0.03 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1dye h GLU 62 CO -0.04 0.90 -0.06 0.00 -1.00 0.00 0.00 179.01 178.81 1dye h ALA 63 N 1.17 1.12 0.00 3.43 0.00 -0.86 -2.02 119.26 122.11 1dye h ALA 63 Ca 0.18 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.65 1dye h ALA 63 Cb 0.43 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1dye h ALA 63 CO 0.01 0.55 -0.79 0.93 0.00 0.00 0.00 179.25 179.96 1dye h GLU 64 N 0.65 0.00 -0.34 0.00 5.08 -0.75 -2.15 114.58 117.08 1dye h GLU 64 Ca 0.12 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.43 1dye h GLU 64 Cb 0.49 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 1dye h GLU 64 CO 0.03 0.79 0.02 -0.22 -1.00 0.00 0.00 179.01 178.62 1dye h LYS 65 N 0.00 0.58 -0.59 2.33 3.64 -0.79 -0.70 116.57 121.04 1dye h LYS 65 Ca -0.01 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.19 1dye h LYS 65 Cb 1.41 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.15 1dye h LYS 65 CO 0.10 0.69 0.35 -0.07 -2.27 0.00 0.00 179.45 178.25 1dye h LEU 66 N 0.40 0.72 -0.10 5.20 3.38 -1.30 -2.41 115.31 121.19 1dye h LEU 66 Ca 0.10 -0.07 0.03 0.00 0.09 0.00 0.00 57.88 58.03 1dye h LEU 66 Cb 0.41 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 1dye h LEU 66 CO 0.01 0.57 -0.05 0.15 0.09 0.00 0.00 178.44 179.22 1dye h PHE 67 N 0.80 -0.12 -0.60 1.13 3.57 -1.22 -0.34 116.94 120.16 1dye h PHE 67 Ca 0.21 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.82 1dye h PHE 67 Cb -0.01 0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 1dye h PHE 67 CO -0.02 -0.08 0.19 -0.91 -2.23 0.00 0.00 178.31 175.26 1dye h ASN 68 N -0.04 0.15 -0.76 0.41 2.35 -0.90 -1.50 115.58 115.30 1dye h ASN 68 Ca 0.06 0.09 -0.03 0.00 -0.55 0.00 0.00 56.30 55.87 1dye h ASN 68 Cb 0.13 0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 1dye h ASN 68 CO -0.13 0.09 0.37 1.56 -1.65 0.00 0.00 177.43 177.67 1dye h GLN 69 N 0.35 1.08 -0.17 0.81 4.20 -0.89 -2.35 115.11 118.15 1dye h GLN 69 Ca 0.31 -0.15 -0.14 0.00 0.06 0.00 0.00 58.65 58.73 1dye h GLN 69 Cb 0.40 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1dye h GLN 69 CO -0.33 0.84 -0.47 -0.44 -0.67 0.00 0.00 178.83 177.75 1dye h ASP 70 N 1.06 0.48 -0.15 1.46 3.32 -0.42 -0.41 116.42 121.75 1dye h ASP 70 Ca 0.26 -0.23 -0.08 0.00 0.02 0.00 0.00 57.03 57.01 1dye h ASP 70 Cb 0.10 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 1dye h ASP 70 CO -0.03 0.88 -0.20 0.58 -1.72 0.00 0.00 179.24 178.74 1dye h VAL 71 N 0.35 1.35 -0.33 -1.35 2.07 -1.23 0.33 116.25 117.45 1dye h VAL 71 Ca 0.02 -1.41 0.04 0.00 0.82 0.00 0.00 66.70 66.18 1dye h VAL 71 Cb 0.96 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 1dye h VAL 71 CO 0.08 0.42 0.09 -0.78 0.02 0.00 0.00 177.57 177.40 1dye h ASP 72 N 0.03 0.06 -0.74 0.57 3.58 -1.41 0.25 116.42 118.76 1dye h ASP 72 Ca 0.02 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.51 1dye h ASP 72 Cb 0.76 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.82 1dye h ASP 72 CO 0.05 0.07 0.47 0.00 -2.88 0.00 0.00 179.24 176.95 1dye h ALA 73 N 1.23 0.94 0.32 -0.78 0.00 -1.04 -0.15 119.26 119.78 1dye h ALA 73 Ca 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1dye h ALA 73 Cb 0.15 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 1dye h ALA 73 CO -0.18 0.39 -0.19 0.00 0.00 0.00 0.00 179.25 179.27 1dye h ALA 74 N 1.25 -0.47 -0.09 0.00 0.00 -0.05 0.33 119.26 120.22 1dye h ALA 74 Ca 0.27 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1dye h ALA 74 Cb -0.07 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.91 1dye h ALA 74 CO -0.05 -0.78 -0.17 0.28 0.00 0.00 0.00 179.25 178.53 1dye h VAL 75 N -0.48 0.56 -0.69 0.00 2.07 -0.13 -2.16 116.25 115.41 1dye h VAL 75 Ca -0.03 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1dye h VAL 75 Cb 0.40 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1dye h VAL 75 CO 0.04 0.00 0.39 0.03 0.02 0.00 0.00 177.57 178.05 1dye h ARG 76 N -0.24 0.95 -0.28 1.57 3.08 -0.97 -1.81 114.38 116.68 1dye h ARG 76 Ca 0.08 -0.09 0.01 0.00 0.07 0.00 0.00 59.98 60.05 1dye h ARG 76 Cb 0.36 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1dye h ARG 76 CO -0.23 0.68 0.15 0.78 -1.07 0.00 0.00 179.97 180.29 1dye h GLY 77 N 1.00 0.38 0.92 0.04 0.00 -0.55 -1.33 103.07 103.53 1dye h GLY 77 Ca 0.25 -0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.49 1dye h GLY 77 CO -0.04 0.10 0.64 -2.22 0.00 0.00 0.00 176.54 175.02 1dye h ILE 78 N 0.32 1.19 0.00 2.60 2.04 -0.92 -2.27 117.51 120.47 1dye h ILE 78 Ca 0.11 -0.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1dye h ILE 78 Cb 0.01 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 35.90 1dye h ILE 78 CO -0.06 0.23 -0.05 -0.07 0.00 0.00 0.00 178.15 178.20 1dye h LEU 79 N 1.26 0.00 -0.03 1.44 3.38 -0.85 -2.41 115.31 118.10 1dye h LEU 79 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1dye h LEU 79 Cb -0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1dye h LEU 79 CO -0.11 0.05 -0.79 0.54 0.09 0.00 0.00 178.44 178.22 1dye n ARG 80 N -3.16 0.04 -3.48 1.13 1.74 -0.55 -4.82 116.66 107.57 1dye n ARG 80 Ca 0.01 -0.03 -0.37 0.00 -0.77 0.00 0.00 57.85 56.69 1dye n ARG 80 Cb 0.35 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.22 1dye n ARG 80 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 1dye s ASN 81 N -2.98 6.46 0.44 0.55 3.84 -0.89 -4.97 114.94 117.39 1dye s ASN 81 Ca 0.10 0.54 0.20 0.00 0.21 0.00 0.00 52.86 53.91 1dye s ASN 81 Cb 0.17 -2.21 1.00 0.00 -0.55 0.00 0.00 41.25 39.67 1dye s ASN 81 CO 0.79 0.05 1.90 0.00 -2.79 0.00 0.00 177.10 177.05 1dye h ALA 82 N 6.86 1.25 0.08 1.71 0.00 -1.91 -0.79 119.26 126.46 1dye h ALA 82 Ca -0.40 -0.24 -0.30 0.00 0.00 0.00 0.00 54.91 53.97 1dye h ALA 82 Cb 1.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1dye h ALA 82 CO 0.75 0.33 -1.56 0.87 0.00 0.00 0.00 179.25 179.63 1dye h LYS 83 N 0.00 0.18 0.12 0.00 6.56 -1.93 -3.41 116.57 118.09 1dye h LYS 83 Ca -0.00 -0.30 -0.27 0.00 -1.06 0.00 0.00 60.65 59.01 1dye h LYS 83 Cb 0.58 0.11 -0.00 0.00 -0.57 0.00 0.00 32.23 32.35 1dye h LYS 83 CO 0.03 0.99 -1.39 -0.07 -2.06 0.00 0.00 179.45 176.95 1dye h LEU 84 N 0.05 0.38 -0.71 2.94 3.38 -1.76 -3.39 115.31 116.19 1dye h LEU 84 Ca -0.25 -0.86 0.14 0.00 0.09 0.00 0.00 57.88 57.01 1dye h LEU 84 Cb 1.99 -0.12 -0.13 0.00 0.09 0.00 0.00 40.66 42.49 1dye h LEU 84 CO 0.13 1.61 -0.16 0.50 0.09 0.00 0.00 178.44 180.62 1dye h LYS 85 N -0.30 0.01 -0.53 1.13 3.64 -0.65 -0.62 116.57 119.24 1dye h LYS 85 Ca -0.30 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1dye h LYS 85 Cb 1.76 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.55 1dye h LYS 85 CO 0.06 0.01 0.29 -1.35 -2.27 0.00 0.00 179.45 176.19 1dye h PRO 86 N 0.01 0.72 0.12 1.90 0.11 -1.79 -0.59 132.00 132.49 1dye h PRO 86 Ca 0.35 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1dye h PRO 86 Cb 0.54 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1dye h PRO 86 CO -0.72 0.54 -0.06 0.28 -0.21 0.00 0.00 178.00 177.83 1dye h VAL 87 N 0.73 1.03 -0.43 3.15 2.07 -1.35 -2.06 116.25 119.39 1dye h VAL 87 Ca 0.19 -0.63 0.08 0.00 0.82 0.00 0.00 66.70 67.15 1dye h VAL 87 Cb 0.02 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.15 1dye h VAL 87 CO -0.03 0.15 0.04 0.22 0.02 0.00 0.00 177.57 177.97 1dye h TYR 88 N -0.47 0.05 -0.39 1.57 3.20 -1.05 -1.72 116.97 118.16 1dye h TYR 88 Ca -0.02 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.90 1dye h TYR 88 Cb 0.38 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1dye h TYR 88 CO 0.02 -0.05 0.26 -0.44 -1.64 0.00 0.00 178.16 176.31 1dye h ASP 89 N 0.16 0.38 1.23 -2.11 3.32 -1.04 -0.67 116.42 117.70 1dye h ASP 89 Ca 0.21 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1dye h ASP 89 Cb 0.29 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1dye h ASP 89 CO -0.32 0.27 0.00 -1.54 -1.72 0.00 0.00 179.24 175.92 1dye n SER 90 N -4.48 0.58 -4.94 6.45 3.41 -0.68 -4.91 113.62 109.05 1dye n SER 90 Ca 0.03 0.57 -0.25 0.00 -0.26 0.00 0.00 58.87 58.96 1dye n SER 90 Cb 0.13 -0.72 -0.02 0.00 -0.26 0.00 0.00 64.21 63.34 1dye n SER 90 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1dye s LEU 91 N -4.12 4.09 1.07 1.04 1.43 -0.26 -5.06 118.68 116.88 1dye s LEU 91 Ca 0.10 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.50 1dye s LEU 91 Cb 0.13 -3.28 0.23 0.00 0.03 0.00 0.00 46.19 43.30 1dye s LEU 91 CO 0.54 -0.21 1.14 1.51 0.23 0.00 0.00 176.35 179.56 1dye s ASP 92 N -3.72 2.06 0.33 2.29 -4.77 -1.26 -4.80 116.67 106.79 1dye s ASP 92 Ca 0.40 0.77 0.06 0.00 -3.30 0.00 0.00 52.55 50.48 1dye s ASP 92 Cb -0.10 -1.15 0.58 0.00 -1.09 0.00 0.00 42.92 41.16 1dye s ASP 92 CO 0.33 -3.43 1.80 0.00 0.70 0.00 0.00 175.17 174.57 1dye h ALA 93 N -2.11 1.28 0.11 2.11 0.00 -1.97 -2.31 119.26 116.37 1dye h ALA 93 Ca -0.48 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.12 1dye h ALA 93 Cb 1.30 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1dye h ALA 93 CO 0.45 0.48 -0.05 0.28 0.00 0.00 0.00 179.25 180.41 1dye h VAL 94 N 0.29 1.06 -0.33 0.00 2.07 -1.94 -3.18 116.25 114.23 1dye h VAL 94 Ca 0.05 -1.20 0.02 0.00 0.82 0.00 0.00 66.70 66.40 1dye h VAL 94 Cb 0.57 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 1dye h VAL 94 CO 0.04 0.27 0.22 0.03 0.02 0.00 0.00 177.57 178.14 1dye h ARG 95 N -0.76 0.35 -0.75 1.57 3.08 -1.83 -0.76 114.38 115.27 1dye h ARG 95 Ca -0.02 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.01 1dye h ARG 95 Cb 0.55 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 1dye h ARG 95 CO 0.03 0.23 0.45 0.00 -1.07 0.00 0.00 179.97 179.60 1dye h ARG 96 N 0.36 1.02 -0.66 0.04 3.08 -1.45 -1.55 114.38 115.22 1dye h ARG 96 Ca 0.13 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 1dye h ARG 96 Cb 0.09 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 29.89 1dye h ARG 96 CO -0.03 0.72 0.27 0.00 -1.07 0.00 0.00 179.97 179.86 1dye h ALA 98 N 1.35 1.15 -0.04 0.00 0.00 -1.06 0.13 119.26 120.79 1dye h ALA 98 Ca 0.22 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 1dye h ALA 98 Cb 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.77 1dye h ALA 98 CO -0.02 0.55 -0.91 1.25 0.00 0.00 0.00 179.25 180.12 1dye h LEU 99 N 0.72 0.71 -0.92 0.00 5.85 -1.09 -2.83 115.31 117.74 1dye h LEU 99 Ca 0.14 -0.53 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 1dye h LEU 99 Cb 0.41 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 1dye h LEU 99 CO 0.02 1.32 0.20 0.40 -0.34 0.00 0.00 178.44 180.04 1dye h ILE 100 N 0.34 1.24 -0.04 4.05 2.04 -0.86 -2.08 117.51 122.20 1dye h ILE 100 Ca -0.08 -0.83 0.02 0.00 1.00 0.00 0.00 64.86 64.96 1dye h ILE 100 Cb 1.54 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 1dye h ILE 100 CO 0.17 0.32 -0.07 -1.13 0.00 0.00 0.00 178.15 177.44 1dye h ASN 101 N 0.95 -0.21 -0.99 1.72 -0.73 -0.90 -1.02 115.58 114.41 1dye h ASN 101 Ca 0.21 0.04 0.05 0.00 1.87 0.00 0.00 56.30 58.47 1dye h ASN 101 Cb 0.27 0.10 -0.06 0.00 0.27 0.00 0.00 38.32 38.90 1dye h ASN 101 CO -0.01 -0.10 0.64 0.24 -0.37 0.00 0.00 177.43 177.84 1dye h MET 102 N -0.10 1.17 -0.52 6.67 2.86 -1.28 -2.25 114.93 121.49 1dye h MET 102 Ca 0.04 -0.07 -0.12 0.00 -2.06 0.00 0.00 59.70 57.50 1dye h MET 102 Cb 0.16 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 1dye h MET 102 CO -0.10 0.78 -0.13 0.28 1.06 0.00 0.00 176.91 178.79 1dye h VAL 103 N 1.21 1.27 -0.77 -2.22 2.07 -0.85 0.34 116.25 117.29 1dye h VAL 103 Ca 0.41 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1dye h VAL 103 Cb 0.09 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.82 1dye h VAL 103 CO -0.15 0.45 0.42 0.15 0.02 0.00 0.00 177.57 178.47 1dye h PHE 104 N 0.89 1.05 0.00 1.57 3.04 -0.87 0.20 116.94 122.83 1dye h PHE 104 Ca 0.13 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.04 1dye h PHE 104 Cb 0.70 -0.34 0.00 0.00 2.56 0.00 0.00 35.95 38.87 1dye h PHE 104 CO 0.05 0.74 -0.06 0.37 -2.02 0.00 0.00 178.31 177.38 1dye h GLN 105 N 1.06 0.04 -0.10 1.11 4.15 -1.21 -3.39 115.11 116.77 1dye h GLN 105 Ca 0.27 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.65 1dye h GLN 105 Cb 0.03 0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1dye h GLN 105 CO -0.04 0.86 0.00 0.00 -1.93 0.00 0.00 178.83 177.72 1dye n MET 106 N -4.64 1.18 -0.26 1.69 0.00 0.12 -5.10 117.12 110.10 1dye n MET 106 Ca -0.10 -1.42 0.01 0.00 0.00 0.00 0.00 57.70 56.19 1dye n MET 106 Cb 0.43 -1.25 -0.00 0.00 0.00 0.00 0.00 33.22 32.40 1dye n MET 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1dye n GLY 107 N 0.66 -2.95 0.28 3.17 0.00 0.70 -3.79 105.19 103.27 1dye n GLY 107 Ca 0.08 -1.26 -0.02 0.00 0.00 0.00 0.00 46.02 44.82 1dye n GLY 107 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1dye h GLU 108 N -0.04 0.80 -0.70 1.61 4.81 -1.92 -2.24 114.58 116.91 1dye h GLU 108 Ca -0.01 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.11 1dye h GLU 108 Cb 0.18 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1dye h GLU 108 CO 0.00 0.53 0.20 1.15 -0.73 0.00 0.00 179.01 180.17 1dye h THR 109 N 0.83 1.26 0.26 0.32 2.02 -1.96 -1.12 112.91 114.51 1dye h THR 109 Ca 0.31 -0.91 -0.01 0.00 0.77 0.00 0.00 66.41 66.57 1dye h THR 109 Cb 0.12 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1dye h THR 109 CO -0.15 0.35 -0.12 1.23 0.37 0.00 0.00 175.52 177.20 1dye h GLY 110 N 1.03 -0.36 1.00 2.16 0.00 -1.51 -2.81 103.07 102.58 1dye h GLY 110 Ca 0.22 0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.65 1dye h GLY 110 CO -0.00 -0.13 0.26 -2.08 0.00 0.00 0.00 176.54 174.58 1dye h VAL 111 N -0.43 1.23 -0.04 4.60 2.07 -1.46 -1.41 116.25 120.81 1dye h VAL 111 Ca -0.04 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1dye h VAL 111 Cb 0.32 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1dye h VAL 111 CO 0.06 0.28 0.17 0.00 0.02 0.00 0.00 177.57 178.10 1dye h ALA 112 N 1.10 1.30 0.00 1.67 0.00 -1.15 0.22 119.26 122.40 1dye h ALA 112 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1dye h ALA 112 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dye h ALA 112 CO -0.02 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.45 1dye n GLY 113 N -1.20 -1.37 2.31 0.00 0.00 -0.53 -4.03 105.19 100.37 1dye n GLY 113 Ca -0.02 -0.06 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1dye n GLY 113 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1dye n PHE 114 N -1.65 1.41 -0.34 1.61 3.01 0.77 -4.77 117.46 117.51 1dye n PHE 114 Ca 0.05 -2.14 -0.05 0.00 1.01 0.00 0.00 57.45 56.32 1dye n PHE 114 Cb 0.29 -1.69 -0.01 0.00 -0.01 0.00 0.00 39.48 38.06 1dye n PHE 114 CO 0.00 0.00 0.00 1.15 1.01 0.00 0.00 176.76 178.92 1dye h THR 115 N 2.26 0.03 -0.19 4.37 2.02 -1.81 -0.95 112.91 118.64 1dye h THR 115 Ca 0.46 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.63 1dye h THR 115 Cb 0.82 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1dye h THR 115 CO 0.92 0.00 0.08 0.78 0.37 0.00 0.00 175.52 177.67 1dye h ASN 116 N -0.07 0.26 -0.63 4.18 2.35 -1.96 -2.08 115.58 117.64 1dye h ASN 116 Ca 0.26 -0.15 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 1dye h ASN 116 Cb 0.54 -0.07 -0.03 0.00 0.05 0.00 0.00 38.32 38.82 1dye h ASN 116 CO -0.89 0.34 0.37 0.28 -1.65 0.00 0.00 177.43 175.89 1dye h SER 117 N 0.16 0.77 -0.80 5.81 0.02 -1.86 -1.30 113.55 116.35 1dye h SER 117 Ca 0.06 -0.07 0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1dye h SER 117 Cb 0.16 -0.19 -0.05 0.00 0.14 0.00 0.00 62.40 62.46 1dye h SER 117 CO -0.01 0.61 0.51 -0.07 -1.14 0.00 0.00 176.83 176.73 1dye h LEU 118 N 0.86 0.84 -0.73 5.07 3.38 -1.08 -0.86 115.31 122.78 1dye h LEU 118 Ca 0.23 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 1dye h LEU 118 Cb -0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.53 1dye h LEU 118 CO -0.04 0.58 0.25 -0.09 0.09 0.00 0.00 178.44 179.22 1dye h ARG 119 N 0.99 1.13 -0.06 1.13 2.43 -1.00 -1.58 114.38 117.42 1dye h ARG 119 Ca 0.32 -0.23 -0.11 0.00 -0.81 0.00 0.00 59.98 59.14 1dye h ARG 119 Cb 0.02 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1dye h ARG 119 CO -0.12 0.95 -0.48 0.52 -1.51 0.00 0.00 179.97 179.33 1dye h MET 120 N 1.08 0.15 -0.22 0.20 2.86 -0.79 -2.03 114.93 116.18 1dye h MET 120 Ca 0.24 -0.08 -0.15 0.00 -2.06 0.00 0.00 59.70 57.65 1dye h MET 120 Cb 0.28 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.95 1dye h MET 120 CO -0.01 0.60 -0.44 -0.07 1.06 0.00 0.00 176.91 178.05 1dye h LEU 121 N 0.12 0.76 -1.39 1.22 3.38 -0.80 -1.40 115.31 117.21 1dye h LEU 121 Ca 0.00 -0.55 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1dye h LEU 121 Cb 0.90 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 1dye h LEU 121 CO 0.07 1.17 0.36 -0.61 0.09 0.00 0.00 178.44 179.52 1dye h GLN 122 N 0.38 0.77 0.00 1.13 4.15 -1.16 0.05 115.11 120.44 1dye h GLN 122 Ca 0.01 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.37 1dye h GLN 122 Cb 1.04 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 28.56 1dye h GLN 122 CO 0.10 0.53 0.00 1.04 -1.93 0.00 0.00 178.83 178.57 1dye n GLN 123 N -4.43 0.63 -2.52 1.69 6.02 -0.78 -4.90 117.38 113.09 1dye n GLN 123 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 57.00 56.89 1dye n GLN 123 Cb 0.06 -1.50 0.01 0.00 1.02 0.00 0.00 30.24 29.83 1dye n GLN 123 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 1dye n LYS 124 N -1.18 -2.28 -3.13 -1.09 5.02 0.00 -4.94 118.16 110.57 1dye n LYS 124 Ca 0.18 0.73 -0.44 0.00 -2.02 0.00 0.00 58.31 56.75 1dye n LYS 124 Cb 0.19 -5.10 0.00 0.00 -0.02 0.00 0.00 35.03 30.10 1dye n LYS 124 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1dye n ARG 125 N -2.80 3.77 0.02 1.97 1.74 -0.58 -4.91 116.66 115.87 1dye n ARG 125 Ca -0.14 -4.33 -0.11 0.00 -0.77 0.00 0.00 57.85 52.50 1dye n ARG 125 Cb 0.62 -2.64 -0.04 0.00 -1.02 0.00 0.00 32.46 29.38 1dye n ARG 125 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 1dye h TRP 126 N 6.34 -0.82 -0.47 -1.55 -0.00 -1.89 -1.15 115.95 116.41 1dye h TRP 126 Ca 0.22 0.03 -0.01 0.00 -0.00 0.00 0.00 58.89 59.14 1dye h TRP 126 Cb 0.79 0.37 -0.02 0.00 -0.00 0.00 0.00 29.16 30.30 1dye h TRP 126 CO 0.91 -0.38 0.27 -0.44 -0.00 0.00 0.00 178.44 178.79 1dye h ASP 127 N -0.39 0.58 -0.46 -3.49 5.19 -1.91 -1.53 116.42 114.41 1dye h ASP 127 Ca 0.09 -0.08 -0.09 0.00 -0.62 0.00 0.00 57.03 56.33 1dye h ASP 127 Cb 0.53 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 1dye h ASP 127 CO -0.32 0.49 -0.04 -0.33 -3.12 0.00 0.00 179.24 175.92 1dye h GLU 128 N 0.62 0.90 -0.45 3.56 5.08 -1.91 -2.00 114.58 120.38 1dye h GLU 128 Ca 0.17 -0.28 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 1dye h GLU 128 Cb 0.03 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1dye h GLU 128 CO -0.03 0.92 -0.11 0.00 -1.00 0.00 0.00 179.01 178.79 1dye h ALA 129 N 1.12 0.94 -0.75 3.43 0.00 -1.03 -2.20 119.26 120.77 1dye h ALA 129 Ca 0.15 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 1dye h ALA 129 Cb 0.55 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 1dye h ALA 129 CO 0.03 0.62 0.30 0.00 0.00 0.00 0.00 179.25 180.20 1dye h ALA 130 N 1.12 1.11 -0.42 0.00 0.00 -0.97 0.22 119.26 120.31 1dye h ALA 130 Ca 0.12 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1dye h ALA 130 Cb 0.62 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dye h ALA 130 CO 0.04 0.64 -0.05 0.77 0.00 0.00 0.00 179.25 180.65 1dye h SER 131 N 1.09 0.78 -0.11 0.00 0.02 -1.16 -3.01 113.55 111.16 1dye h SER 131 Ca 0.25 -0.34 -0.16 0.00 -0.84 0.00 0.00 61.79 60.70 1dye h SER 131 Cb 0.21 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1dye h SER 131 CO -0.02 0.93 -0.50 -1.13 -1.14 0.00 0.00 176.83 174.97 1dye h ASN 132 N 0.61 0.75 -0.03 3.07 -0.73 -1.18 -3.01 115.58 115.06 1dye h ASN 132 Ca 0.11 -0.38 -0.00 0.00 1.87 0.00 0.00 56.30 57.90 1dye h ASN 132 Cb 0.56 -0.21 -0.00 0.00 0.27 0.00 0.00 38.32 38.93 1dye h ASN 132 CO 0.03 1.12 0.02 -0.07 -0.37 0.00 0.00 177.43 178.16 1dye h LEU 133 N 0.54 0.04 -1.45 0.34 3.38 -0.87 -2.40 115.31 114.88 1dye h LEU 133 Ca 0.02 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1dye h LEU 133 Cb 1.06 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1dye h LEU 133 CO 0.10 0.04 0.00 0.00 0.09 0.00 0.00 178.44 178.67 1dye h ALA 134 N 1.97 1.00 -0.92 1.53 0.00 -1.39 -3.34 119.26 118.11 1dye h ALA 134 Ca 0.01 0.00 -0.76 0.00 0.00 0.00 0.00 54.91 54.17 1dye h ALA 134 Cb 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.64 1dye h ALA 134 CO -0.00 0.00 2.02 1.63 0.00 0.00 0.00 179.25 182.90 1dye n LYS 135 N -3.02 3.76 -3.60 0.00 5.02 -0.90 -4.69 118.16 114.72 1dye n LYS 135 Ca 0.01 -3.56 -0.12 0.00 -2.02 0.00 0.00 58.31 52.62 1dye n LYS 135 Cb 0.29 -2.88 -0.05 0.00 -0.02 0.00 0.00 35.03 32.38 1dye n LYS 135 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1dye s SER 136 N 0.68 -0.34 0.18 4.39 1.04 -1.25 -5.03 113.70 113.37 1dye s SER 136 Ca 0.41 -0.07 -0.13 0.00 0.48 0.00 0.00 55.95 56.64 1dye s SER 136 Cb 0.10 0.48 0.14 0.00 0.10 0.00 0.00 66.02 66.85 1dye s SER 136 CO -0.00 -0.79 1.80 -0.09 0.98 0.00 0.00 173.24 175.14 1dye h ARG 137 N 2.59 0.56 -0.76 4.02 2.43 -1.92 -2.24 114.38 119.05 1dye h ARG 137 Ca -0.32 -0.03 0.14 0.00 -0.81 0.00 0.00 59.98 58.95 1dye h ARG 137 Cb 1.24 -0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.52 1dye h ARG 137 CO 0.44 0.37 -0.30 2.35 -1.51 0.00 0.00 179.97 181.31 1dye h TRP 138 N 0.57 -0.80 -0.42 2.20 7.01 -1.95 0.55 115.95 123.11 1dye h TRP 138 Ca 0.23 0.08 -0.13 0.00 2.11 0.00 0.00 58.89 61.18 1dye h TRP 138 Cb 0.10 0.47 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 1dye h TRP 138 CO -0.08 -0.38 -0.25 -0.92 -2.79 0.00 0.00 178.44 174.02 1dye h TYR 139 N -0.07 1.00 -0.12 2.65 3.20 -1.78 -1.84 116.97 120.00 1dye h TYR 139 Ca 0.31 -0.24 -0.12 0.00 3.14 0.00 0.00 58.73 61.82 1dye h TYR 139 Cb 0.58 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 1dye h TYR 139 CO -0.70 1.02 -0.46 -0.91 -1.64 0.00 0.00 178.16 175.47 1dye h ASN 140 N 0.75 0.32 0.24 -2.11 4.21 -0.40 -2.50 115.58 116.09 1dye h ASN 140 Ca 0.09 -0.15 -0.33 0.00 1.21 0.00 0.00 56.30 57.12 1dye h ASN 140 Cb 0.79 -0.09 0.04 0.00 -1.12 0.00 0.00 38.32 37.94 1dye h ASN 140 CO 0.07 0.74 -1.44 1.56 -1.29 0.00 0.00 177.43 177.06 1dye h GLN 141 N 0.24 0.56 -2.08 0.81 1.08 0.09 -3.39 115.11 112.42 1dye h GLN 141 Ca 0.02 -0.92 -0.56 0.00 -1.45 0.00 0.00 58.65 55.74 1dye h GLN 141 Cb 0.91 0.33 -0.40 0.00 -0.05 0.00 0.00 27.48 28.27 1dye h GLN 141 CO 0.07 1.44 -0.94 0.25 -0.95 0.00 0.00 178.83 178.70 1dye n THR 142 N -3.73 0.64 -0.34 -0.54 -2.24 -0.70 -5.00 114.28 102.37 1dye n THR 142 Ca -0.16 -4.62 0.07 0.00 -2.27 0.00 0.00 64.05 57.06 1dye n THR 142 Cb 1.09 -1.61 0.25 0.00 -2.10 0.00 0.00 70.33 67.96 1dye n THR 142 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1dye h PRO 143 N 3.73 0.95 -0.20 -0.78 0.13 -1.66 -1.39 132.00 132.79 1dye h PRO 143 Ca 0.12 -0.06 -0.07 0.00 -0.87 0.00 0.00 66.00 65.12 1dye h PRO 143 Cb 0.80 -0.21 -0.00 0.00 0.13 0.00 0.00 31.00 31.71 1dye h PRO 143 CO 0.61 0.63 -0.14 -0.91 -0.23 0.00 0.00 178.00 177.96 1dye h ASN 144 N 0.98 0.47 -0.12 1.44 2.35 -1.94 -0.85 115.58 117.91 1dye h ASN 144 Ca 0.47 -0.44 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1dye h ASN 144 Cb 0.45 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.69 1dye h ASN 144 CO -0.23 0.81 0.01 -0.09 -1.65 0.00 0.00 177.43 176.28 1dye h ARG 145 N 0.14 0.20 -0.47 0.81 2.43 -1.96 -2.48 114.38 113.05 1dye h ARG 145 Ca 0.04 -0.06 0.08 0.00 -0.81 0.00 0.00 59.98 59.23 1dye h ARG 145 Cb 0.65 -0.02 -0.06 0.00 -0.42 0.00 0.00 29.97 30.12 1dye h ARG 145 CO 0.04 0.41 0.10 0.00 -1.51 0.00 0.00 179.97 179.00 1dye h ALA 146 N 0.78 0.52 -1.00 2.80 0.00 -1.25 -1.75 119.26 119.36 1dye h ALA 146 Ca 0.03 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.11 1dye h ALA 146 Cb 0.31 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 1dye h ALA 146 CO 0.00 -0.31 0.64 0.87 0.00 0.00 0.00 179.25 180.46 1dye h LYS 147 N 0.23 1.11 0.15 0.00 1.57 -1.12 0.19 116.57 118.70 1dye h LYS 147 Ca 0.23 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 1dye h LYS 147 Cb 0.30 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.36 1dye h LYS 147 CO -0.30 0.73 -0.07 0.00 -0.57 0.00 0.00 179.45 179.24 1dye h ARG 148 N 1.14 -0.20 -0.27 3.15 3.08 -0.89 0.48 114.38 120.87 1dye h ARG 148 Ca 0.44 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.50 1dye h ARG 148 Cb 0.22 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.31 1dye h ARG 148 CO -0.19 -0.12 0.14 0.28 -1.07 0.00 0.00 179.97 179.02 1dye h VAL 149 N -0.22 1.13 -0.69 2.04 2.07 -0.77 -1.74 116.25 118.08 1dye h VAL 149 Ca -0.02 -0.37 0.05 0.00 0.82 0.00 0.00 66.70 67.18 1dye h VAL 149 Cb 0.17 0.88 -0.05 0.00 -1.52 0.00 0.00 31.29 30.77 1dye h VAL 149 CO 0.03 0.13 0.40 0.40 0.02 0.00 0.00 177.57 178.56 1dye h ILE 150 N 0.32 1.01 -0.58 4.57 2.04 -0.62 -1.33 117.51 122.91 1dye h ILE 150 Ca 0.09 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1dye h ILE 150 Cb 0.09 0.19 -0.03 0.00 -0.74 0.00 0.00 36.82 36.33 1dye h ILE 150 CO -0.01 0.14 0.25 0.74 0.00 0.00 0.00 178.15 179.26 1dye h THR 151 N 0.75 1.20 -0.81 -0.27 2.02 -0.39 -0.91 112.91 114.51 1dye h THR 151 Ca 0.30 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.85 1dye h THR 151 Cb 0.14 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.01 1dye h THR 151 CO -0.16 0.24 0.39 0.74 0.37 0.00 0.00 175.52 177.10 1dye h THR 152 N 0.82 1.25 -0.44 3.16 2.02 -0.41 -1.49 112.91 117.82 1dye h THR 152 Ca 0.20 -0.70 -0.11 0.00 0.77 0.00 0.00 66.41 66.57 1dye h THR 152 Cb 0.13 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 66.75 1dye h THR 152 CO -0.02 0.30 -0.15 -0.26 0.37 0.00 0.00 175.52 175.76 1dye h PHE 153 N 1.15 0.99 -0.13 3.16 0.04 -0.67 0.29 116.94 121.77 1dye h PHE 153 Ca 0.28 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 1dye h PHE 153 Cb 0.12 -0.24 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1dye h PHE 153 CO 0.01 1.00 0.04 -0.09 -0.60 0.00 0.00 178.31 178.67 1dye h ARG 154 N 0.71 0.20 0.01 1.51 2.43 -0.95 -3.37 114.38 114.93 1dye h ARG 154 Ca 0.11 -0.05 -0.34 0.00 -0.81 0.00 0.00 59.98 58.89 1dye h ARG 154 Cb 0.70 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.16 1dye h ARG 154 CO 0.05 0.35 -2.09 0.25 -1.51 0.00 0.00 179.97 177.02 1dye n THR 155 N -4.86 1.53 -0.94 0.20 -2.24 -0.58 -4.77 114.28 102.62 1dye n THR 155 Ca -0.05 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1dye n THR 155 Cb 0.14 -0.91 0.00 0.00 -2.10 0.00 0.00 70.33 67.46 1dye n THR 155 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1dye n GLY 156 N 1.74 0.65 3.64 3.38 0.00 0.09 -5.01 105.19 109.67 1dye n GLY 156 Ca -0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.46 1dye n GLY 156 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dye s THR 157 N -2.49 1.55 -0.53 2.61 -4.23 -1.26 -4.73 115.64 106.55 1dye s THR 157 Ca 0.00 -2.00 0.12 0.00 -1.18 0.00 0.00 61.69 58.63 1dye s THR 157 Cb 0.00 -2.67 0.64 0.00 1.34 0.00 0.00 72.50 71.82 1dye s THR 157 CO 0.00 0.00 1.49 0.79 -0.54 0.00 0.00 174.62 176.36 1dye n TRP 158 N -1.03 1.59 -0.27 3.99 7.02 -1.26 -4.61 117.44 122.88 1dye n TRP 158 Ca -0.09 -0.56 0.01 0.00 -1.02 0.00 0.00 57.50 55.84 1dye n TRP 158 Cb 0.67 -0.40 0.08 0.00 -2.42 0.00 0.00 31.31 29.24 1dye n TRP 158 CO 0.00 0.00 0.00 -0.44 -2.02 0.00 0.00 177.69 175.23 1dye h ASP 159 N 3.20 -0.80 0.00 -0.99 3.32 -1.96 -0.75 116.42 118.45 1dye h ASP 159 Ca 0.00 0.24 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1dye h ASP 159 Cb 1.61 0.50 0.00 0.00 0.22 0.00 0.00 39.33 41.66 1dye h ASP 159 CO 0.36 -0.26 0.17 0.00 -1.72 0.00 0.00 179.24 177.78 1dye h ALA 160 N 1.67 1.16 -0.01 3.45 0.00 -1.89 -1.38 119.26 122.26 1dye h ALA 160 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1dye h ALA 160 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1dye h ALA 160 CO -0.79 -0.16 -0.18 0.66 0.00 0.00 0.00 179.25 178.77 1dye n TYR 161 N -2.87 0.00 0.12 0.00 4.01 -0.30 -4.97 117.16 113.14 1dye n TYR 161 Ca -0.02 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.73 1dye n TYR 161 Cb 0.22 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.26 1dye n TYR 161 CO 0.00 0.00 0.00 0.36 -0.46 0.00 0.00 176.86 176.76