#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rrw n GLN 2 N 0.00 2.89 -2.59 2.12 6.02 -1.26 -5.00 117.38 119.56 1rrw n GLN 2 Ca 0.00 -1.99 -0.36 0.00 -0.01 0.00 0.00 57.00 54.64 1rrw n GLN 2 Cb 0.00 -1.24 -0.04 0.00 1.02 0.00 0.00 30.24 29.98 1rrw n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1rrw s ASP 3 N -1.00 6.72 0.07 1.08 1.11 -1.26 -5.05 116.67 118.34 1rrw s ASP 3 Ca 0.21 1.97 -0.10 0.00 0.18 0.00 0.00 52.55 54.80 1rrw s ASP 3 Cb 0.11 -2.58 0.01 0.00 1.07 0.00 0.00 42.92 41.53 1rrw s ASP 3 CO 0.14 -0.52 0.23 0.42 1.18 0.00 0.00 175.17 176.62 1rrw s THR 4 N -1.78 0.11 -0.01 -1.27 -4.23 -1.26 -3.21 115.64 104.00 1rrw s THR 4 Ca 0.60 -0.94 0.08 0.00 -1.18 0.00 0.00 61.69 60.24 1rrw s THR 4 Cb -0.19 -1.11 -0.02 0.00 1.34 0.00 0.00 72.50 72.52 1rrw s THR 4 CO 0.24 -0.52 -0.25 -0.63 -0.54 0.00 0.00 174.62 172.92 1rrw s ILE 5 N -3.19 1.95 0.05 2.99 1.01 -0.37 -4.92 121.20 118.73 1rrw s ILE 5 Ca -0.00 -1.08 -0.04 0.00 0.00 0.00 0.00 60.65 59.52 1rrw s ILE 5 Cb 0.02 -1.63 -0.02 0.00 0.01 0.00 0.00 42.46 40.84 1rrw s ILE 5 CO -0.07 0.53 0.07 0.72 0.00 0.00 0.00 174.94 176.19 1rrw s PHE 6 N -0.60 0.27 -0.08 3.97 -0.12 -1.26 -0.82 117.98 119.34 1rrw s PHE 6 Ca 0.10 -0.65 -0.01 0.00 -0.05 0.00 0.00 56.93 56.32 1rrw s PHE 6 Cb -0.10 -0.19 0.03 0.00 -0.63 0.00 0.00 43.02 42.13 1rrw s PHE 6 CO -0.01 -0.38 -0.03 -0.51 -0.05 0.00 0.00 175.22 174.25 1rrw s LEU 7 N -2.36 0.85 0.15 -1.99 1.02 -0.45 -5.03 118.68 110.87 1rrw s LEU 7 Ca -0.02 -0.15 0.10 0.00 0.02 0.00 0.00 54.13 54.08 1rrw s LEU 7 Cb 0.01 -0.56 -0.04 0.00 0.02 0.00 0.00 46.19 45.62 1rrw s LEU 7 CO -0.06 -0.15 -0.24 -0.54 0.02 0.00 0.00 176.35 175.37 1rrw s LYS 8 N 1.77 1.38 -1.50 1.70 1.02 -1.26 -0.99 119.74 121.85 1rrw s LYS 8 Ca 0.03 -1.38 0.00 0.00 0.02 0.00 0.00 55.97 54.64 1rrw s LYS 8 Cb -0.13 -1.74 0.00 0.00 -0.52 0.00 0.00 37.83 35.45 1rrw s LYS 8 CO -0.05 0.39 0.00 0.41 -0.92 0.00 0.00 175.35 175.18 1rrw n GLY 9 N 0.67 -0.10 3.74 -3.33 0.00 -1.23 -4.92 105.19 100.04 1rrw n GLY 9 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1rrw n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1rrw s MET 10 N -4.73 4.22 -0.06 1.61 -1.94 -0.53 -4.75 119.30 113.12 1rrw s MET 10 Ca 0.00 2.39 0.01 0.00 -1.71 0.00 0.00 55.69 56.37 1rrw s MET 10 Cb 0.00 -3.09 0.02 0.00 2.01 0.00 0.00 34.83 33.77 1rrw s MET 10 CO 0.00 -0.51 -0.05 1.03 -0.01 0.00 0.00 175.02 175.48 1rrw s ARG 11 N -0.17 0.97 0.07 2.03 0.52 -1.26 0.89 118.95 122.00 1rrw s ARG 11 Ca 0.62 -0.13 0.05 0.00 -0.52 0.00 0.00 55.73 55.75 1rrw s ARG 11 Cb -0.44 -0.99 -0.03 0.00 0.52 0.00 0.00 34.95 34.01 1rrw s ARG 11 CO 0.43 -0.11 -0.14 -0.06 0.02 0.00 0.00 175.30 175.43 1rrw s PHE 12 N 1.09 1.22 -0.31 -0.53 0.08 -0.45 -4.96 117.98 114.11 1rrw s PHE 12 Ca -0.08 -0.44 -0.12 0.00 0.12 0.00 0.00 56.93 56.40 1rrw s PHE 12 Cb -0.14 -0.69 -0.03 0.00 -0.57 0.00 0.00 43.02 41.59 1rrw s PHE 12 CO -0.01 0.06 0.22 -0.47 -0.10 0.00 0.00 175.22 174.92 1rrw s TYR 13 N -1.21 3.23 0.28 0.36 6.14 -1.26 0.28 117.35 125.16 1rrw s TYR 13 Ca -0.01 -0.06 0.03 0.00 0.64 0.00 0.00 57.07 57.66 1rrw s TYR 13 Cb -0.10 -2.44 -0.01 0.00 0.42 0.00 0.00 41.96 39.83 1rrw s TYR 13 CO 0.02 -0.28 0.09 0.41 0.64 0.00 0.00 175.55 176.44 1rrw n GLY 14 N 5.08 3.53 0.58 8.97 0.00 -0.44 -4.84 105.19 118.06 1rrw n GLY 14 Ca -0.13 -2.07 0.05 0.00 0.00 0.00 0.00 46.02 43.87 1rrw n GLY 14 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rrw n TYR 15 N -0.65 0.00 -2.00 1.61 4.02 -1.26 -1.51 117.16 117.37 1rrw n TYR 15 Ca -0.05 -0.78 -0.33 0.00 -0.01 0.00 0.00 57.90 56.74 1rrw n TYR 15 Cb 0.42 -0.15 0.01 0.00 -0.02 0.00 0.00 39.34 39.61 1rrw n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 1rrw s HIS 16 N -1.69 2.99 0.00 -0.72 3.76 -1.26 -3.79 115.29 114.57 1rrw s HIS 16 Ca 0.26 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.67 1rrw s HIS 16 Cb 0.25 -3.00 0.00 0.00 1.11 0.00 0.00 32.58 30.94 1rrw s HIS 16 CO -0.04 -1.13 0.00 0.41 -0.85 0.00 0.00 174.74 173.12 1rrw n GLY 17 N -1.05 4.33 0.19 -2.22 0.00 0.37 -4.53 105.19 102.28 1rrw n GLY 17 Ca 0.09 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.48 1rrw n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rrw h ALA 18 N 0.00 1.18 -2.93 4.61 0.00 -1.80 -3.42 119.26 116.91 1rrw h ALA 18 Ca 0.00 -0.33 -0.58 0.00 0.00 0.00 0.00 54.91 54.00 1rrw h ALA 18 Cb 0.00 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.65 1rrw h ALA 18 CO 0.00 0.46 -0.17 -1.17 0.00 0.00 0.00 179.25 178.37 1rrw s LEU 19 N -7.59 4.29 0.21 0.00 2.96 -1.26 -4.99 118.68 112.30 1rrw s LEU 19 Ca -0.02 0.78 -0.15 0.00 -0.22 0.00 0.00 54.13 54.53 1rrw s LEU 19 Cb 0.13 -2.64 0.23 0.00 0.50 0.00 0.00 46.19 44.41 1rrw s LEU 19 CO 0.70 0.04 1.61 0.28 -1.32 0.00 0.00 176.35 177.66 1rrw h SER 20 N 6.53 -0.74 -0.90 3.68 0.02 -2.01 0.22 113.55 120.35 1rrw h SER 20 Ca -0.42 0.21 0.14 0.00 -0.84 0.00 0.00 61.79 60.87 1rrw h SER 20 Cb 1.18 0.45 -0.09 0.00 0.14 0.00 0.00 62.40 64.08 1rrw h SER 20 CO 0.74 -0.24 0.51 0.00 -1.14 0.00 0.00 176.83 176.70 1rrw h ALA 21 N 1.52 1.36 0.29 3.77 0.00 -1.97 -2.28 119.26 121.96 1rrw h ALA 21 Ca 0.30 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1rrw h ALA 21 Cb 0.51 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1rrw h ALA 21 CO -0.69 0.02 -0.43 0.93 0.00 0.00 0.00 179.25 179.08 1rrw h GLU 22 N 0.76 -0.73 -0.37 0.00 5.08 -1.32 -2.03 114.58 115.97 1rrw h GLU 22 Ca 0.47 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.99 1rrw h GLU 22 Cb 0.60 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1rrw h GLU 22 CO -0.32 -0.49 0.38 -0.91 -1.00 0.00 0.00 179.01 176.67 1rrw h ASN 23 N -0.76 0.00 -0.00 1.42 2.35 -1.21 0.11 115.58 117.48 1rrw h ASN 23 Ca -0.03 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 1rrw h ASN 23 Cb 0.69 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.06 1rrw h ASN 23 CO -0.13 0.00 -0.02 -0.08 -1.65 0.00 0.00 177.43 175.55 1rrw h GLU 24 N 0.00 0.02 0.15 0.81 4.81 -0.83 -3.39 114.58 116.15 1rrw h GLU 24 Ca 0.17 -0.02 -0.36 0.00 -0.13 0.00 0.00 59.36 59.02 1rrw h GLU 24 Cb 0.94 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 1rrw h GLU 24 CO -0.00 0.72 -1.91 0.82 -0.73 0.00 0.00 179.01 177.91 1rrw h ILE 25 N -0.67 0.74 0.00 2.32 2.04 -1.14 -3.51 117.51 117.28 1rrw h ILE 25 Ca -0.00 -2.41 0.00 0.00 1.00 0.00 0.00 64.86 63.45 1rrw h ILE 25 Cb 0.73 2.60 0.00 0.00 -0.74 0.00 0.00 36.82 39.41 1rrw h ILE 25 CO 0.00 0.89 0.00 0.61 0.00 0.00 0.00 178.15 179.65 1rrw n GLY 26 N 1.94 -2.57 3.60 5.37 0.00 0.35 -5.02 105.19 108.86 1rrw n GLY 26 Ca -0.29 -1.76 0.01 0.00 0.00 0.00 0.00 46.02 43.97 1rrw n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rrw s GLN 27 N -0.49 0.03 0.05 1.61 -2.07 -0.57 -4.99 119.66 113.23 1rrw s GLN 27 Ca 0.00 -0.01 -0.29 0.00 -1.82 0.00 0.00 55.36 53.24 1rrw s GLN 27 Cb 0.00 0.01 -0.05 0.00 -1.09 0.00 0.00 33.01 31.88 1rrw s GLN 27 CO 0.00 -0.01 0.92 0.42 -1.32 0.00 0.00 175.29 175.29 1rrw s ILE 28 N -2.03 4.71 -0.17 3.63 -1.09 -1.26 -1.33 121.20 123.65 1rrw s ILE 28 Ca 0.13 1.95 -0.01 0.00 -2.23 0.00 0.00 60.65 60.49 1rrw s ILE 28 Cb 0.04 -4.27 -0.00 0.00 -1.58 0.00 0.00 42.46 36.65 1rrw s ILE 28 CO -0.05 0.26 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.45 1rrw s PHE 29 N 0.41 2.85 -0.14 3.97 0.40 0.14 -4.47 117.98 121.13 1rrw s PHE 29 Ca 0.47 -1.00 -0.08 0.00 -0.60 0.00 0.00 56.93 55.71 1rrw s PHE 29 Cb -0.22 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.32 1rrw s PHE 29 CO 0.27 -0.49 0.13 0.21 0.70 0.00 0.00 175.22 176.04 1rrw s LYS 30 N 0.99 3.65 -0.03 0.44 2.20 -0.95 -1.35 119.74 124.70 1rrw s LYS 30 Ca -0.01 -0.18 0.01 0.00 -0.36 0.00 0.00 55.97 55.43 1rrw s LYS 30 Cb -0.15 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1rrw s LYS 30 CO -0.02 0.62 -0.05 0.08 -0.36 0.00 0.00 175.35 175.62 1rrw s VAL 31 N -0.57 0.53 -0.15 4.02 1.01 0.26 -0.84 120.40 124.65 1rrw s VAL 31 Ca 0.12 -0.16 -0.00 0.00 0.00 0.00 0.00 61.98 61.94 1rrw s VAL 31 Cb -0.12 -0.53 -0.00 0.00 0.00 0.00 0.00 36.38 35.73 1rrw s VAL 31 CO 0.02 0.20 -0.14 -1.81 0.00 0.00 0.00 175.10 173.37 1rrw s ASP 32 N 0.62 3.76 -0.12 3.32 1.01 -0.49 -1.46 116.67 123.31 1rrw s ASP 32 Ca -0.08 -0.44 0.02 0.00 0.71 0.00 0.00 52.55 52.76 1rrw s ASP 32 Cb -0.12 -1.58 0.01 0.00 1.01 0.00 0.00 42.92 42.24 1rrw s ASP 32 CO 0.00 0.09 -0.19 -0.69 0.21 0.00 0.00 175.17 174.60 1rrw s VAL 33 N 0.77 1.76 -0.15 -1.27 1.01 -0.16 -1.45 120.40 120.92 1rrw s VAL 33 Ca -0.06 -0.80 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1rrw s VAL 33 Cb -0.15 -1.57 0.02 0.00 0.00 0.00 0.00 36.38 34.67 1rrw s VAL 33 CO 0.01 0.49 -0.15 -0.89 0.00 0.00 0.00 175.10 174.55 1rrw s THR 34 N 0.86 1.65 -0.10 3.92 2.01 -0.60 -1.34 115.64 122.04 1rrw s THR 34 Ca -0.08 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 1rrw s THR 34 Cb -0.15 -1.53 -0.03 0.00 0.01 0.00 0.00 72.50 70.80 1rrw s THR 34 CO -0.01 0.47 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.59 1rrw s LEU 35 N 1.36 3.29 -0.24 4.42 1.43 -0.00 -0.69 118.68 128.24 1rrw s LEU 35 Ca 0.03 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 52.86 1rrw s LEU 35 Cb -0.13 -1.75 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1rrw s LEU 35 CO -0.09 0.30 0.80 -0.75 0.23 0.00 0.00 176.35 176.84 1rrw s LYS 36 N -0.40 4.18 -0.15 1.70 2.20 0.87 -1.24 119.74 126.89 1rrw s LYS 36 Ca 0.06 0.89 -0.14 0.00 -0.36 0.00 0.00 55.97 56.43 1rrw s LYS 36 Cb -0.12 -3.64 0.04 0.00 -1.51 0.00 0.00 37.83 32.60 1rrw s LYS 36 CO 0.02 -0.50 0.41 0.08 -0.36 0.00 0.00 175.35 175.00 1rrw s VAL 37 N 2.77 -0.00 -0.42 4.02 1.01 -1.20 -0.19 120.40 126.39 1rrw s VAL 37 Ca 0.34 0.01 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 1rrw s VAL 37 Cb -0.15 -0.57 0.02 0.00 0.00 0.00 0.00 36.38 35.68 1rrw s VAL 37 CO 0.08 0.00 1.03 -0.62 0.00 0.00 0.00 175.10 175.59 1rrw s ASP 38 N 0.35 6.67 -0.15 3.32 -1.08 -1.26 -4.07 116.67 120.46 1rrw s ASP 38 Ca -0.01 0.53 0.17 0.00 -0.52 0.00 0.00 52.55 52.72 1rrw s ASP 38 Cb -0.03 -2.51 0.73 0.00 -1.46 0.00 0.00 42.92 39.65 1rrw s ASP 38 CO -0.01 -1.05 1.64 0.18 0.52 0.00 0.00 175.17 176.45 1rrw n LEU 39 N 7.27 4.93 -0.06 -1.34 4.77 -1.26 -4.59 117.00 126.72 1rrw n LEU 39 Ca 0.10 -2.60 -0.16 0.00 -0.03 0.00 0.00 56.01 53.32 1rrw n LEU 39 Cb 0.48 -0.60 -0.05 0.00 -2.33 0.00 0.00 43.42 40.92 1rrw n LEU 39 CO 0.65 0.76 0.39 0.77 -1.33 0.00 0.00 177.39 178.63 1rrw h SER 40 N 3.88 0.94 0.57 -1.43 4.64 -1.95 0.18 113.55 120.37 1rrw h SER 40 Ca 0.00 -0.56 -0.03 0.00 -0.47 0.00 0.00 61.79 60.73 1rrw h SER 40 Cb 1.57 -0.27 0.01 0.00 -0.31 0.00 0.00 62.40 63.40 1rrw h SER 40 CO 0.29 1.33 -0.27 -0.08 -0.87 0.00 0.00 176.83 177.23 1rrw h GLU 41 N 0.59 -0.73 -0.67 4.77 4.81 -1.90 1.42 114.58 122.87 1rrw h GLU 41 Ca -0.00 0.05 0.09 0.00 -0.13 0.00 0.00 59.36 59.36 1rrw h GLU 41 Cb 1.20 0.17 -0.04 0.00 0.63 0.00 0.00 28.75 30.71 1rrw h GLU 41 CO 0.13 -0.45 0.44 0.00 -0.73 0.00 0.00 179.01 178.40 1rrw h ALA 42 N -0.48 1.86 -0.00 2.92 0.00 -1.72 1.33 119.26 123.18 1rrw h ALA 42 Ca -0.08 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.68 1rrw h ALA 42 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 1rrw h ALA 42 CO 0.13 0.01 -0.65 0.78 0.00 0.00 0.00 179.25 179.52 1rrw h GLY 43 N 0.58 0.01 0.20 0.00 0.00 -0.43 0.23 103.07 103.65 1rrw h GLY 43 Ca 0.30 -0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.61 1rrw h GLY 43 CO -0.10 0.01 -0.09 -0.09 0.00 0.00 0.00 176.54 176.27 1rrw h ARG 44 N 0.01 -0.24 0.29 4.80 2.43 0.60 -3.39 114.38 118.87 1rrw h ARG 44 Ca -0.01 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.17 1rrw h ARG 44 Cb 1.15 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.75 1rrw h ARG 44 CO 0.08 -0.13 -0.14 1.79 -1.51 0.00 0.00 179.97 180.07 1rrw h THR 45 N -1.06 0.74 0.00 0.20 1.35 0.14 -3.48 112.91 110.81 1rrw h THR 45 Ca -0.03 -0.56 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 1rrw h THR 45 Cb 0.23 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 67.68 1rrw h THR 45 CO 0.04 0.11 0.00 -0.67 -0.25 0.00 0.00 175.52 174.75 1rrw n ASP 46 N -5.13 -1.17 -4.47 5.36 2.03 0.80 -5.05 116.55 108.92 1rrw n ASP 46 Ca -0.09 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 54.82 1rrw n ASP 46 Cb 0.25 -0.19 -0.11 0.00 -0.72 0.00 0.00 41.12 40.35 1rrw n ASP 46 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1rrw s ASN 47 N -2.29 5.81 0.57 1.67 3.84 -1.26 -4.96 114.94 118.32 1rrw s ASN 47 Ca 0.00 -0.54 0.33 0.00 0.21 0.00 0.00 52.86 52.87 1rrw s ASN 47 Cb 0.00 -2.07 1.45 0.00 -0.55 0.00 0.00 41.25 40.08 1rrw s ASN 47 CO 0.00 -0.24 1.75 1.62 -2.79 0.00 0.00 177.10 177.44 1rrw h VAL 48 N 5.60 0.32 0.00 -5.21 3.04 -1.94 0.50 116.25 118.57 1rrw h VAL 48 Ca -0.31 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.38 1rrw h VAL 48 Cb 1.15 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 1rrw h VAL 48 CO 0.63 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.19 1rrw n ILE 49 N -3.90 0.00 0.12 3.17 0.13 -1.26 -1.95 119.36 115.68 1rrw n ILE 49 Ca 0.21 0.00 0.07 0.00 -1.10 0.00 0.00 62.75 61.93 1rrw n ILE 49 Cb 1.14 -0.64 0.14 0.00 -0.84 0.00 0.00 39.64 39.44 1rrw n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1rrw n ASP 50 N -0.93 2.76 -2.73 9.51 8.00 0.18 -5.00 116.55 128.33 1rrw n ASP 50 Ca 0.12 -1.83 -0.15 0.00 0.71 0.00 0.00 54.79 53.65 1rrw n ASP 50 Cb 0.06 -0.17 -0.05 0.00 -0.02 0.00 0.00 41.12 40.93 1rrw n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1rrw n THR 51 N 0.79 0.00 -3.66 -3.53 5.66 -0.82 -4.13 114.28 108.58 1rrw n THR 51 Ca 0.12 -1.81 -0.36 0.00 -3.05 0.00 0.00 64.05 58.95 1rrw n THR 51 Cb 0.42 0.94 -0.07 0.00 -1.55 0.00 0.00 70.33 70.08 1rrw n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 1rrw s VAL 52 N -3.00 5.36 -0.29 1.08 1.01 -1.26 -4.99 120.40 118.32 1rrw s VAL 52 Ca 0.30 0.38 -0.29 0.00 0.00 0.00 0.00 61.98 62.37 1rrw s VAL 52 Cb 0.01 -3.54 -0.01 0.00 0.00 0.00 0.00 36.38 32.84 1rrw s VAL 52 CO 0.21 0.46 1.42 -2.28 0.00 0.00 0.00 175.10 174.91 1rrw s HIS 53 N 0.05 2.46 0.24 5.22 2.46 -1.26 -4.93 115.29 119.53 1rrw s HIS 53 Ca 0.14 0.74 0.01 0.00 0.47 0.00 0.00 55.06 56.42 1rrw s HIS 53 Cb -0.12 -3.98 0.27 0.00 -0.13 0.00 0.00 32.58 28.62 1rrw s HIS 53 CO 0.02 -2.14 1.60 0.10 -2.47 0.00 0.00 174.74 171.85 1rrw h TYR 54 N 9.96 0.51 -0.85 3.88 -0.00 -1.99 -2.79 116.97 125.69 1rrw h TYR 54 Ca -0.29 -0.16 0.17 0.00 -0.00 0.00 0.00 58.73 58.45 1rrw h TYR 54 Cb 1.12 -0.11 -0.10 0.00 -0.00 0.00 0.00 36.73 37.64 1rrw h TYR 54 CO 0.90 0.81 0.41 0.78 -0.00 0.00 0.00 178.16 181.06 1rrw h GLY 55 N 1.16 1.40 1.12 0.10 0.00 -1.99 0.50 103.07 105.37 1rrw h GLY 55 Ca 0.02 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.04 1rrw h GLY 55 CO 0.08 -0.11 0.02 0.83 0.00 0.00 0.00 176.54 177.36 1rrw h GLU 56 N 0.55 1.06 -0.47 4.80 5.08 -1.93 -1.26 114.58 122.40 1rrw h GLU 56 Ca 0.49 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.45 1rrw h GLU 56 Cb 0.77 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 1rrw h GLU 56 CO -0.41 1.02 -0.02 0.28 -1.00 0.00 0.00 179.01 178.88 1rrw h VAL 57 N 0.97 1.24 -0.34 3.13 2.07 0.01 -1.95 116.25 121.39 1rrw h VAL 57 Ca 0.18 -1.02 -0.16 0.00 0.82 0.00 0.00 66.70 66.52 1rrw h VAL 57 Cb 0.53 0.90 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1rrw h VAL 57 CO 0.03 0.36 -0.43 0.15 0.02 0.00 0.00 177.57 177.70 1rrw h PHE 58 N 0.73 1.09 -0.70 1.57 3.57 0.11 -1.89 116.94 121.41 1rrw h PHE 58 Ca 0.14 -0.35 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 1rrw h PHE 58 Cb 0.47 -0.22 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 1rrw h PHE 58 CO 0.02 1.17 0.27 0.93 -2.23 0.00 0.00 178.31 178.48 1rrw h GLU 59 N 0.69 1.04 -0.68 1.11 4.39 -1.11 0.21 114.58 120.22 1rrw h GLU 59 Ca 0.04 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.48 1rrw h GLU 59 Cb 1.03 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.48 1rrw h GLU 59 CO 0.10 0.85 0.12 0.93 -1.16 0.00 0.00 179.01 179.85 1rrw h GLU 60 N 1.02 1.13 -0.15 2.33 4.39 -1.16 -0.34 114.58 121.80 1rrw h GLU 60 Ca 0.24 -0.30 -0.06 0.00 0.34 0.00 0.00 59.36 59.58 1rrw h GLU 60 Cb 0.21 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1rrw h GLU 60 CO -0.02 1.02 -0.13 0.28 -1.16 0.00 0.00 179.01 179.00 1rrw h VAL 61 N 1.06 1.34 -0.58 3.13 2.07 -0.87 -3.16 116.25 119.24 1rrw h VAL 61 Ca 0.21 -1.27 0.07 0.00 0.82 0.00 0.00 66.70 66.52 1rrw h VAL 61 Cb 0.44 1.85 -0.06 0.00 -1.52 0.00 0.00 31.29 32.01 1rrw h VAL 61 CO 0.01 0.37 0.27 0.50 0.02 0.00 0.00 177.57 178.75 1rrw h LYS 62 N -0.02 0.49 -0.82 1.57 3.64 -0.44 -0.09 116.57 120.90 1rrw h LYS 62 Ca 0.02 -0.03 0.07 0.00 -1.27 0.00 0.00 60.65 59.45 1rrw h LYS 62 Cb 0.65 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1rrw h LYS 62 CO 0.03 0.32 0.53 0.66 -2.27 0.00 0.00 179.45 178.73 1rrw h SER 63 N 0.50 0.76 0.32 4.20 4.64 -1.07 0.16 113.55 123.07 1rrw h SER 63 Ca 0.27 0.01 -0.33 0.00 -0.47 0.00 0.00 61.79 61.27 1rrw h SER 63 Cb 0.25 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 62.20 1rrw h SER 63 CO -0.22 0.48 -1.55 0.40 -0.87 0.00 0.00 176.83 175.08 1rrw h ILE 64 N 0.86 1.18 -0.03 0.95 2.04 -1.40 -3.09 117.51 118.02 1rrw h ILE 64 Ca 0.36 -2.70 -0.12 0.00 1.00 0.00 0.00 64.86 63.39 1rrw h ILE 64 Cb 0.28 2.91 -0.02 0.00 -0.74 0.00 0.00 36.82 39.25 1rrw h ILE 64 CO -0.13 0.84 -0.56 0.24 0.00 0.00 0.00 178.15 178.54 1rrw h MET 65 N 0.12 0.09 -0.50 2.37 2.86 -0.68 -3.08 114.93 116.11 1rrw h MET 65 Ca -0.27 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.24 1rrw h MET 65 Cb 2.11 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.73 1rrw h MET 65 CO 0.22 0.63 0.07 0.39 1.06 0.00 0.00 176.91 179.28 1rrw n GLU 66 N -3.89 3.72 0.00 1.72 1.02 0.54 -4.57 120.64 119.18 1rrw n GLU 66 Ca -0.02 -3.05 0.00 0.00 -0.02 0.00 0.00 57.16 54.08 1rrw n GLU 66 Cb 0.57 -2.09 0.00 0.00 -0.02 0.00 0.00 31.44 29.91 1rrw n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rrw n GLY 67 N -0.09 2.27 3.71 0.62 0.00 -1.16 -5.00 105.19 105.53 1rrw n GLY 67 Ca 0.30 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1rrw n GLY 67 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1rrw n LYS 68 N 0.00 2.74 -2.04 1.61 4.81 -1.26 -4.89 118.16 119.13 1rrw n LYS 68 Ca 0.00 0.99 -0.42 0.00 -0.87 0.00 0.00 58.31 58.01 1rrw n LYS 68 Cb 0.00 -2.85 -0.03 0.00 0.02 0.00 0.00 35.03 32.18 1rrw n LYS 68 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1rrw s ALA 69 N 1.59 3.63 0.54 3.14 0.00 -1.26 -4.94 121.76 124.45 1rrw s ALA 69 Ca 0.77 0.96 0.05 0.00 0.00 0.00 0.00 51.96 53.74 1rrw s ALA 69 Cb -0.51 -3.71 0.03 0.00 0.00 0.00 0.00 23.12 18.93 1rrw s ALA 69 CO 0.34 -1.27 0.35 0.14 0.00 0.00 0.00 175.76 175.32 1rrw s VAL 70 N 3.54 1.54 -0.10 0.00 -7.23 -1.26 -4.92 120.40 111.97 1rrw s VAL 70 Ca 0.71 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 59.28 1rrw s VAL 70 Cb -0.34 -2.11 -0.01 0.00 0.56 0.00 0.00 36.38 34.48 1rrw s VAL 70 CO 0.29 0.00 -0.07 0.78 -0.31 0.00 0.00 175.10 175.79 1rrw h ASN 71 N 0.82 0.00 -3.27 4.85 2.35 -1.95 0.11 115.58 118.49 1rrw h ASN 71 Ca -0.38 0.00 -0.55 0.00 -0.55 0.00 0.00 56.30 54.83 1rrw h ASN 71 Cb 1.31 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 39.65 1rrw h ASN 71 CO 0.60 0.52 -0.19 -0.76 -1.65 0.00 0.00 177.43 175.94 1rrw s LEU 72 N -7.76 4.18 0.36 1.61 1.43 -1.26 -2.84 118.68 114.39 1rrw s LEU 72 Ca -0.06 0.74 0.18 0.00 -1.03 0.00 0.00 54.13 53.97 1rrw s LEU 72 Cb 0.01 -3.51 0.55 0.00 0.03 0.00 0.00 46.19 43.27 1rrw s LEU 72 CO 0.08 -0.06 1.67 -0.07 0.23 0.00 0.00 176.35 178.20 1rrw h LEU 73 N 2.42 0.00 -1.44 1.79 3.38 -1.99 -2.61 115.31 116.86 1rrw h LEU 73 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1rrw h LEU 73 Cb 1.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1rrw h LEU 73 CO 0.70 0.40 0.03 -0.33 0.09 0.00 0.00 178.44 179.32 1rrw h GLU 74 N 0.00 0.39 0.14 1.13 3.07 -1.99 0.44 114.58 117.77 1rrw h GLU 74 Ca -0.00 -0.06 -0.30 0.00 -0.50 0.00 0.00 59.36 58.49 1rrw h GLU 74 Cb 1.01 -0.07 0.03 0.00 -0.84 0.00 0.00 28.75 28.88 1rrw h GLU 74 CO 0.05 0.40 -1.28 1.25 -1.40 0.00 0.00 179.01 178.03 1rrw h HIS 75 N 0.39 0.98 -0.42 4.33 2.76 -1.89 -2.51 115.15 118.79 1rrw h HIS 75 Ca 0.09 -0.64 -0.03 0.00 -2.20 0.00 0.00 60.37 57.60 1rrw h HIS 75 Cb 0.21 -0.07 -0.02 0.00 1.55 0.00 0.00 27.41 29.08 1rrw h HIS 75 CO 0.01 1.48 0.14 -0.07 -1.30 0.00 0.00 177.93 178.18 1rrw h LEU 76 N 0.25 0.55 0.03 0.26 3.38 -0.98 -2.34 115.31 116.46 1rrw h LEU 76 Ca -0.20 -0.07 -0.25 0.00 0.09 0.00 0.00 57.88 57.46 1rrw h LEU 76 Cb 1.96 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 42.54 1rrw h LEU 76 CO 0.24 0.52 -1.27 0.00 0.09 0.00 0.00 178.44 178.02 1rrw h ALA 77 N 1.56 0.40 -0.20 1.53 0.00 -0.99 -3.11 119.26 118.45 1rrw h ALA 77 Ca 0.14 -1.06 -0.15 0.00 0.00 0.00 0.00 54.91 53.84 1rrw h ALA 77 Cb 0.17 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1rrw h ALA 77 CO -0.01 1.28 -0.49 1.49 0.00 0.00 0.00 179.25 181.52 1rrw h GLU 78 N 0.02 0.54 -0.07 0.00 4.57 -1.31 -0.24 114.58 118.08 1rrw h GLU 78 Ca -0.12 -0.31 -0.14 0.00 -1.18 0.00 0.00 59.36 57.61 1rrw h GLU 78 Cb 1.89 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.49 1rrw h GLU 78 CO 0.13 0.91 -0.57 0.00 -1.18 0.00 0.00 179.01 178.30 1rrw h ARG 79 N 0.43 0.21 0.13 1.92 3.08 -1.52 -0.57 114.38 118.06 1rrw h ARG 79 Ca 0.02 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1rrw h ARG 79 Cb 1.01 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.08 1rrw h ARG 79 CO 0.09 0.72 -0.06 0.82 -1.07 0.00 0.00 179.97 180.47 1rrw h ILE 80 N 0.16 1.01 0.20 2.04 2.04 -1.44 -1.45 117.51 120.06 1rrw h ILE 80 Ca -0.00 -1.11 0.01 0.00 1.00 0.00 0.00 64.86 64.76 1rrw h ILE 80 Cb 1.05 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.73 1rrw h ILE 80 CO 0.09 0.24 -0.41 0.00 0.00 0.00 0.00 178.15 178.07 1rrw h ALA 81 N -0.07 -0.77 -0.02 1.87 0.00 -1.04 -1.47 119.26 117.75 1rrw h ALA 81 Ca -0.02 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.81 1rrw h ALA 81 Cb 0.54 0.65 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1rrw h ALA 81 CO 0.03 -0.99 0.03 -0.97 0.00 0.00 0.00 179.25 177.35 1rrw h ASN 82 N -0.69 0.00 1.05 0.00 -0.73 -1.18 -1.59 115.58 112.43 1rrw h ASN 82 Ca 0.01 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.04 1rrw h ASN 82 Cb 0.69 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 39.25 1rrw h ASN 82 CO -0.19 0.00 -1.01 -0.09 -0.37 0.00 0.00 177.43 175.77 1rrw h ARG 83 N 0.00 0.00 0.07 6.67 9.65 -0.48 -3.20 114.38 127.09 1rrw h ARG 83 Ca 0.01 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.60 1rrw h ARG 83 Cb 0.07 0.00 -0.02 0.00 -1.39 0.00 0.00 29.97 28.63 1rrw h ARG 83 CO -0.00 0.36 -1.49 0.82 2.80 0.00 0.00 179.97 182.46 1rrw h ILE 84 N 0.00 1.16 0.00 1.20 2.04 -0.81 -3.27 117.51 117.84 1rrw h ILE 84 Ca -0.09 -2.87 -0.06 0.00 1.00 0.00 0.00 64.86 62.84 1rrw h ILE 84 Cb 1.47 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 40.22 1rrw h ILE 84 CO 0.05 0.77 -0.28 0.78 0.00 0.00 0.00 178.15 179.48 1rrw h ASN 85 N 0.04 0.00 0.07 1.72 2.35 -1.43 -2.94 115.58 115.39 1rrw h ASN 85 Ca -0.22 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.53 1rrw h ASN 85 Cb 1.97 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.34 1rrw h ASN 85 CO 0.13 0.28 -0.03 0.28 -1.65 0.00 0.00 177.43 176.44 1rrw h SER 86 N 0.00 -0.08 0.09 5.81 0.02 -1.65 -3.35 113.55 114.39 1rrw h SER 86 Ca -0.00 -0.39 0.00 0.00 -0.84 0.00 0.00 61.79 60.56 1rrw h SER 86 Cb 0.73 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.30 1rrw h SER 86 CO 0.04 0.58 0.00 0.00 -1.14 0.00 0.00 176.83 176.30 1rrw n GLN 87 N -4.79 0.71 -3.68 3.45 6.02 -1.23 -4.68 117.38 113.18 1rrw n GLN 87 Ca -0.06 0.01 -0.19 0.00 -0.01 0.00 0.00 57.00 56.75 1rrw n GLN 87 Cb 0.23 -1.50 -0.18 0.00 1.02 0.00 0.00 30.24 29.81 1rrw n GLN 87 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1rrw s TYR 88 N -2.11 0.02 -0.16 1.08 2.02 -1.11 -5.01 117.35 112.09 1rrw s TYR 88 Ca 0.35 0.30 0.18 0.00 -0.37 0.00 0.00 57.07 57.54 1rrw s TYR 88 Cb 0.17 -0.43 -0.09 0.00 -0.40 0.00 0.00 41.96 41.21 1rrw s TYR 88 CO 0.31 -0.19 0.92 -0.97 -1.57 0.00 0.00 175.55 174.04 1rrw h ASN 89 N 8.35 0.00 0.97 2.29 -0.73 -1.83 -3.31 115.58 121.31 1rrw h ASN 89 Ca -0.14 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.03 1rrw h ASN 89 Cb 1.12 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.71 1rrw h ASN 89 CO 0.17 0.42 0.00 0.03 -0.37 0.00 0.00 177.43 177.68 1rrw h ARG 90 N 0.00 0.00 -6.22 6.67 3.08 -1.94 -3.40 114.38 112.57 1rrw h ARG 90 Ca -0.11 0.00 -0.59 0.00 0.07 0.00 0.00 59.98 59.34 1rrw h ARG 90 Cb 1.42 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 31.37 1rrw h ARG 90 CO 0.03 0.00 0.64 0.08 -1.07 0.00 0.00 179.97 179.65 1rrw s VAL 91 N -3.32 4.42 -0.35 2.04 1.01 -1.25 -4.31 120.40 118.64 1rrw s VAL 91 Ca 0.05 0.78 0.21 0.00 0.00 0.00 0.00 61.98 63.02 1rrw s VAL 91 Cb 0.10 -4.47 0.23 0.00 0.00 0.00 0.00 36.38 32.23 1rrw s VAL 91 CO 0.47 -0.89 1.49 0.24 0.00 0.00 0.00 175.10 176.40 1rrw h MET 92 N 9.13 0.00 -1.69 2.72 2.86 -0.80 -3.41 114.93 123.73 1rrw h MET 92 Ca -0.24 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.44 1rrw h MET 92 Cb 1.07 0.00 -0.25 0.00 0.06 0.00 0.00 31.60 32.48 1rrw h MET 92 CO 1.05 0.12 0.38 -2.00 1.06 0.00 0.00 176.91 177.52 1rrw s GLU 93 N -3.16 0.58 -0.13 1.72 2.12 -1.25 -0.90 118.70 117.67 1rrw s GLU 93 Ca 0.05 0.69 0.02 0.00 0.36 0.00 0.00 54.97 56.09 1rrw s GLU 93 Cb 0.06 0.28 -0.00 0.00 0.26 0.00 0.00 34.13 34.73 1rrw s GLU 93 CO 0.70 -0.07 -0.19 0.99 -0.54 0.00 0.00 175.26 176.15 1rrw s THR 94 N 0.26 2.39 -0.20 -1.70 2.01 0.94 -0.09 115.64 119.25 1rrw s THR 94 Ca 0.02 -0.88 -0.04 0.00 0.31 0.00 0.00 61.69 61.10 1rrw s THR 94 Cb -0.05 -1.97 -0.02 0.00 0.01 0.00 0.00 72.50 70.48 1rrw s THR 94 CO -0.05 0.54 -0.04 -0.75 -0.69 0.00 0.00 174.62 173.64 1rrw s LYS 95 N 0.59 3.50 -0.14 4.92 2.20 0.13 0.03 119.74 130.96 1rrw s LYS 95 Ca -0.11 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 54.93 1rrw s LYS 95 Cb -0.16 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.19 1rrw s LYS 95 CO 0.03 -0.03 -0.16 0.08 -0.36 0.00 0.00 175.35 174.91 1rrw s VAL 96 N 1.07 1.69 -0.15 4.02 1.01 0.98 -1.55 120.40 127.47 1rrw s VAL 96 Ca 0.01 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1rrw s VAL 96 Cb -0.15 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.69 1rrw s VAL 96 CO 0.00 0.48 -0.17 -0.60 0.00 0.00 0.00 175.10 174.82 1rrw s ARG 97 N 1.23 3.19 -0.04 2.72 3.52 -0.53 -0.31 118.95 128.73 1rrw s ARG 97 Ca 0.00 -0.77 0.07 0.00 -0.13 0.00 0.00 55.73 54.90 1rrw s ARG 97 Cb -0.14 -2.58 -0.01 0.00 -1.56 0.00 0.00 34.95 30.66 1rrw s ARG 97 CO -0.07 0.03 -0.24 0.42 -0.81 0.00 0.00 175.30 174.63 1rrw s ILE 98 N 0.76 1.94 -0.05 4.11 1.01 -0.29 -1.40 121.20 127.28 1rrw s ILE 98 Ca -0.07 -1.03 0.03 0.00 0.00 0.00 0.00 60.65 59.58 1rrw s ILE 98 Cb -0.16 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.70 1rrw s ILE 98 CO 0.00 0.55 -0.13 -0.89 0.00 0.00 0.00 174.94 174.48 1rrw s THR 99 N -0.36 1.13 -0.76 2.92 2.01 -0.02 -1.56 115.64 119.00 1rrw s THR 99 Ca 0.03 -0.50 -0.10 0.00 0.31 0.00 0.00 61.69 61.43 1rrw s THR 99 Cb -0.11 -1.02 0.20 0.00 0.01 0.00 0.00 72.50 71.58 1rrw s THR 99 CO 0.01 0.35 0.65 -0.54 -0.69 0.00 0.00 174.62 174.40 1rrw s LYS 100 N 0.47 3.23 0.60 4.92 1.02 0.26 -2.24 119.74 128.00 1rrw s LYS 100 Ca -0.11 -2.51 0.38 0.00 0.02 0.00 0.00 55.97 53.75 1rrw s LYS 100 Cb -0.14 -4.17 1.83 0.00 -0.52 0.00 0.00 37.83 34.83 1rrw s LYS 100 CO 0.03 -1.25 2.16 0.93 -0.92 0.00 0.00 175.35 176.30 1rrw h GLU 101 N 7.46 0.00 -1.97 1.68 5.08 -1.79 -1.83 114.58 123.21 1rrw h GLU 101 Ca 0.07 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.93 1rrw h GLU 101 Cb 1.00 0.00 -0.40 0.00 0.50 0.00 0.00 28.75 29.85 1rrw h GLU 101 CO 0.74 0.01 -1.09 0.09 -1.00 0.00 0.00 179.01 177.75 1rrw n ASN 102 N -3.11 1.60 -4.74 1.42 3.02 -1.26 -4.34 115.26 107.84 1rrw n ASN 102 Ca -0.01 -3.12 -0.29 0.00 -0.03 0.00 0.00 54.58 51.13 1rrw n ASN 102 Cb 0.20 -0.60 0.15 0.00 -0.61 0.00 0.00 39.78 38.92 1rrw n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rrw s PRO 103 N -2.69 0.97 0.00 3.52 0.04 -1.25 -4.86 135.00 130.73 1rrw s PRO 103 Ca 0.41 0.44 0.00 0.00 0.04 0.00 0.00 61.00 61.88 1rrw s PRO 103 Cb 0.35 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 33.08 1rrw s PRO 103 CO -0.08 -2.35 0.43 -2.30 0.04 0.00 0.00 177.00 172.74 1rrw n PRO 104 N -3.89 0.45 -3.30 0.56 -0.02 -1.26 -4.78 135.00 122.76 1rrw n PRO 104 Ca 0.06 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.13 1rrw n PRO 104 Cb 0.58 -1.27 -0.08 0.00 -0.02 0.00 0.00 33.50 32.70 1rrw n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1rrw s ILE 105 N 0.43 5.08 -0.81 4.25 1.01 -1.26 -5.01 121.20 124.89 1rrw s ILE 105 Ca 0.00 0.33 -0.25 0.00 0.00 0.00 0.00 60.65 60.72 1rrw s ILE 105 Cb 0.00 -3.89 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 1rrw s ILE 105 CO 0.00 -0.12 2.21 -2.84 0.00 0.00 0.00 174.94 174.19 1rrw s PRO 106 N 2.25 2.04 0.00 2.79 0.02 -1.26 -4.81 135.00 136.03 1rrw s PRO 106 Ca 0.17 0.26 0.00 0.00 0.02 0.00 0.00 61.00 61.44 1rrw s PRO 106 Cb -0.16 -4.86 0.00 0.00 0.02 0.00 0.00 34.50 29.50 1rrw s PRO 106 CO 0.12 -3.89 0.00 0.41 -0.33 0.00 0.00 177.00 173.31 1rrw n GLY 107 N 6.73 -1.21 2.97 0.52 0.00 -1.26 -5.13 105.19 107.81 1rrw n GLY 107 Ca 0.42 -0.85 -0.31 0.00 0.00 0.00 0.00 46.02 45.29 1rrw n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rrw s HIS 108 N -3.00 2.62 0.22 1.61 3.76 -1.26 -5.09 115.29 114.15 1rrw s HIS 108 Ca 0.00 -1.90 -0.13 0.00 -0.15 0.00 0.00 55.06 52.88 1rrw s HIS 108 Cb 0.00 -1.67 0.00 0.00 1.11 0.00 0.00 32.58 32.02 1rrw s HIS 108 CO 0.00 -0.80 0.45 1.52 -0.85 0.00 0.00 174.74 175.06 1rrw s TYR 109 N 1.32 0.28 -0.24 1.40 -0.85 -1.26 -5.06 117.35 112.94 1rrw s TYR 109 Ca -0.07 -0.64 0.20 0.00 -0.52 0.00 0.00 57.07 56.04 1rrw s TYR 109 Cb -0.19 0.18 0.04 0.00 0.38 0.00 0.00 41.96 42.37 1rrw s TYR 109 CO -0.06 -0.93 1.15 -0.44 -1.52 0.00 0.00 175.55 173.75 1rrw h ASP 110 N 2.29 0.00 -0.60 -0.18 3.32 -1.98 -3.50 116.42 115.78 1rrw h ASP 110 Ca -0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1rrw h ASP 110 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1rrw h ASP 110 CO 0.38 0.21 0.00 0.61 -1.72 0.00 0.00 179.24 178.72 1rrw n GLY 111 N 1.22 3.49 3.24 2.75 0.00 -1.26 -4.63 105.19 110.00 1rrw n GLY 111 Ca -0.01 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 44.88 1rrw n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1rrw s VAL 112 N -2.00 1.68 0.00 1.61 -7.23 -0.69 -4.94 120.40 108.83 1rrw s VAL 112 Ca 0.00 -1.06 0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1rrw s VAL 112 Cb 0.00 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1rrw s VAL 112 CO 0.00 0.33 0.00 0.61 -0.31 0.00 0.00 175.10 175.73 1rrw n GLY 113 N 2.18 1.69 3.20 2.32 0.00 -1.26 0.89 105.19 114.20 1rrw n GLY 113 Ca -0.16 -0.77 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1rrw n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1rrw s ILE 114 N -2.54 0.06 -0.14 -0.61 -5.25 -0.60 -5.01 121.20 107.11 1rrw s ILE 114 Ca 0.00 -1.87 -0.06 0.00 -0.99 0.00 0.00 60.65 57.72 1rrw s ILE 114 Cb 0.00 -2.18 0.06 0.00 2.95 0.00 0.00 42.46 43.29 1rrw s ILE 114 CO 0.00 -0.28 0.32 -0.70 -1.79 0.00 0.00 174.94 172.49 1rrw s GLU 115 N -4.08 0.26 0.02 0.37 2.12 -1.26 -1.14 118.70 114.99 1rrw s GLU 115 Ca 0.28 0.73 0.08 0.00 0.36 0.00 0.00 54.97 56.42 1rrw s GLU 115 Cb 0.07 -0.00 -0.02 0.00 0.26 0.00 0.00 34.13 34.43 1rrw s GLU 115 CO 0.05 -0.21 -0.24 0.96 -0.54 0.00 0.00 175.26 175.29 1rrw s ILE 116 N 1.80 1.89 -0.14 -3.70 -4.36 0.58 -4.98 121.20 112.30 1rrw s ILE 116 Ca -0.06 -1.19 0.01 0.00 -0.26 0.00 0.00 60.65 59.15 1rrw s ILE 116 Cb -0.10 -1.61 -0.00 0.00 1.25 0.00 0.00 42.46 41.99 1rrw s ILE 116 CO -0.10 0.37 -0.16 -0.69 0.24 0.00 0.00 174.94 174.60 1rrw s VAL 117 N -0.71 2.68 -0.08 8.37 1.01 -1.26 -0.01 120.40 130.39 1rrw s VAL 117 Ca 0.09 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.28 1rrw s VAL 117 Cb -0.09 -2.11 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1rrw s VAL 117 CO 0.01 0.52 -0.01 -0.13 0.00 0.00 0.00 175.10 175.49 1rrw s ARG 118 N 0.62 0.78 0.54 2.72 1.81 0.10 -4.99 118.95 120.54 1rrw s ARG 118 Ca -0.09 0.02 -0.17 0.00 -1.72 0.00 0.00 55.73 53.77 1rrw s ARG 118 Cb -0.16 -1.14 -0.06 0.00 -0.45 0.00 0.00 34.95 33.14 1rrw s ARG 118 CO 0.03 -0.31 1.03 -1.83 -0.68 0.00 0.00 175.30 173.54 1rrw s GLU 119 N 1.92 3.62 -0.12 3.54 -1.05 -1.26 -0.04 118.70 125.31 1rrw s GLU 119 Ca 0.05 1.17 -0.24 0.00 -0.15 0.00 0.00 54.97 55.80 1rrw s GLU 119 Cb -0.13 -2.08 -0.03 0.00 -0.44 0.00 0.00 34.13 31.46 1rrw s GLU 119 CO -0.06 -0.56 0.75 1.21 0.95 0.00 0.00 175.26 177.55 1rrw s ASN 120 N -2.65 6.94 0.00 0.83 3.84 -0.08 -4.87 114.94 118.96 1rrw s ASN 120 Ca 0.63 1.15 0.21 0.00 0.21 0.00 0.00 52.86 55.05 1rrw s ASN 120 Cb -0.14 -2.42 0.16 0.00 -0.55 0.00 0.00 41.25 38.30 1rrw s ASN 120 CO 0.31 -0.25 1.16 0.29 -2.79 0.00 0.00 177.10 175.81