#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nm2 n GLN 2 N 0.00 2.51 -1.74 2.12 6.02 -1.26 -4.98 117.38 120.05 2nm2 n GLN 2 Ca 0.00 -2.32 -0.38 0.00 -0.01 0.00 0.00 57.00 54.29 2nm2 n GLN 2 Cb 0.00 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 29.81 2nm2 n GLN 2 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2nm2 n ASP 3 N 1.46 2.53 -3.78 1.08 9.92 -1.26 -5.02 116.55 121.47 2nm2 n ASP 3 Ca 0.20 0.94 -0.10 0.00 -0.53 0.00 0.00 54.79 55.30 2nm2 n ASP 3 Cb 0.59 -1.57 -0.07 0.00 -0.64 0.00 0.00 41.12 39.43 2nm2 n ASP 3 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2nm2 s THR 4 N -1.31 0.11 -0.11 -3.53 -4.23 -1.26 -3.80 115.64 101.50 2nm2 s THR 4 Ca 0.74 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 60.38 2nm2 s THR 4 Cb -0.41 -1.12 0.02 0.00 1.34 0.00 0.00 72.50 72.33 2nm2 s THR 4 CO 0.47 -0.48 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.34 2nm2 s ILE 5 N -3.26 1.18 0.19 2.99 1.01 0.01 -4.93 121.20 118.39 2nm2 s ILE 5 Ca 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 60.65 60.26 2nm2 s ILE 5 Cb 0.02 -1.15 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 2nm2 s ILE 5 CO -0.08 0.39 0.02 0.72 0.00 0.00 0.00 174.94 175.99 2nm2 s PHE 6 N 1.45 1.27 -0.45 3.97 -0.12 -1.26 0.21 117.98 123.05 2nm2 s PHE 6 Ca 0.01 -1.05 0.08 0.00 -0.05 0.00 0.00 56.93 55.92 2nm2 s PHE 6 Cb -0.13 -0.73 0.27 0.00 -0.63 0.00 0.00 43.02 41.80 2nm2 s PHE 6 CO -0.06 -0.23 0.64 1.28 -0.05 0.00 0.00 175.22 176.79 2nm2 n LEU 7 N -0.28 1.35 -4.72 -1.99 7.99 -0.51 -5.00 117.00 113.84 2nm2 n LEU 7 Ca -0.05 -4.98 -0.42 0.00 -0.01 0.00 0.00 56.01 50.55 2nm2 n LEU 7 Cb 0.64 0.29 -0.03 0.00 -0.11 0.00 0.00 43.42 44.21 2nm2 n LEU 7 CO 0.34 2.13 0.77 -0.54 -1.51 0.00 0.00 177.39 178.58 2nm2 s LYS 8 N -1.84 4.54 0.00 3.23 -0.14 -1.26 -3.55 119.74 120.71 2nm2 s LYS 8 Ca 0.38 1.61 0.00 0.00 -1.36 0.00 0.00 55.97 56.60 2nm2 s LYS 8 Cb 0.21 -3.37 0.00 0.00 -1.68 0.00 0.00 37.83 32.98 2nm2 s LYS 8 CO -0.09 -0.07 0.00 0.41 -0.76 0.00 0.00 175.35 174.85 2nm2 n GLY 9 N 2.76 0.85 3.64 -3.33 0.00 -1.20 -5.00 105.19 102.90 2nm2 n GLY 9 Ca 0.06 -0.26 -0.43 0.00 0.00 0.00 0.00 46.02 45.39 2nm2 n GLY 9 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2nm2 s MET 10 N -0.50 3.88 -0.21 1.61 -1.94 0.17 -4.76 119.30 117.54 2nm2 s MET 10 Ca 0.00 1.88 -0.05 0.00 -1.71 0.00 0.00 55.69 55.81 2nm2 s MET 10 Cb 0.00 -4.05 -0.02 0.00 2.01 0.00 0.00 34.83 32.77 2nm2 s MET 10 CO 0.00 -1.20 -0.01 1.03 -0.01 0.00 0.00 175.02 174.82 2nm2 s ARG 11 N 4.59 3.53 0.02 2.03 0.52 -1.26 0.22 118.95 128.61 2nm2 s ARG 11 Ca 0.75 -0.56 0.04 0.00 -0.52 0.00 0.00 55.73 55.44 2nm2 s ARG 11 Cb -0.29 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.11 2nm2 s ARG 11 CO 0.30 -0.06 -0.13 -0.06 0.02 0.00 0.00 175.30 175.37 2nm2 s PHE 12 N 1.17 1.11 -0.63 -0.53 0.40 0.13 -4.93 117.98 114.70 2nm2 s PHE 12 Ca 0.03 -0.30 -0.11 0.00 -0.60 0.00 0.00 56.93 55.95 2nm2 s PHE 12 Cb -0.14 -0.68 0.16 0.00 0.51 0.00 0.00 43.02 42.87 2nm2 s PHE 12 CO 0.01 0.01 0.54 -0.47 0.70 0.00 0.00 175.22 176.00 2nm2 s TYR 13 N -0.65 3.50 0.48 0.36 5.04 -1.26 0.14 117.35 124.96 2nm2 s TYR 13 Ca 0.02 -1.93 0.06 0.00 -2.44 0.00 0.00 57.07 52.78 2nm2 s TYR 13 Cb -0.07 -3.62 -0.01 0.00 0.35 0.00 0.00 41.96 38.61 2nm2 s TYR 13 CO 0.01 -0.97 0.26 0.20 -1.34 0.00 0.00 175.55 173.70 2nm2 s GLY 14 N 2.37 2.44 -0.51 8.97 0.00 -1.04 -4.83 107.32 114.72 2nm2 s GLY 14 Ca 0.11 -1.51 0.02 0.00 0.00 0.00 0.00 44.72 43.34 2nm2 s GLY 14 CO -0.03 -1.95 1.68 -1.72 0.00 0.00 0.00 173.10 171.08 2nm2 n TYR 15 N -1.47 3.02 -2.23 1.90 4.02 -1.26 -0.71 117.16 120.44 2nm2 n TYR 15 Ca -0.04 -2.69 -0.27 0.00 -0.01 0.00 0.00 57.90 54.90 2nm2 n TYR 15 Cb 0.65 -0.99 0.05 0.00 -0.02 0.00 0.00 39.34 39.03 2nm2 n TYR 15 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 176.86 174.84 2nm2 s HIS 16 N -3.73 3.09 0.00 -0.72 3.76 -1.26 -4.33 115.29 112.10 2nm2 s HIS 16 Ca 0.59 0.60 0.00 0.00 -0.15 0.00 0.00 55.06 56.10 2nm2 s HIS 16 Cb 0.47 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 31.14 2nm2 s HIS 16 CO 0.01 -1.18 0.00 0.41 -0.85 0.00 0.00 174.74 173.13 2nm2 n GLY 17 N -2.82 4.13 0.01 -2.22 0.00 -0.02 -4.48 105.19 99.78 2nm2 n GLY 17 Ca 0.07 -1.40 0.12 0.00 0.00 0.00 0.00 46.02 44.80 2nm2 n GLY 17 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nm2 n ALA 18 N -1.33 2.64 -3.17 4.61 0.00 -0.99 -4.43 120.51 117.83 2nm2 n ALA 18 Ca 0.00 -0.15 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 2nm2 n ALA 18 Cb 0.00 -1.38 -0.15 0.00 0.00 0.00 0.00 19.45 17.93 2nm2 n ALA 18 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2nm2 s LEU 19 N -1.73 2.60 0.46 0.00 2.96 -1.26 -5.00 118.68 116.71 2nm2 s LEU 19 Ca 0.35 -0.38 0.21 0.00 -0.22 0.00 0.00 54.13 54.08 2nm2 s LEU 19 Cb 0.16 -1.58 1.19 0.00 0.50 0.00 0.00 46.19 46.46 2nm2 s LEU 19 CO 0.27 0.15 1.90 0.77 -1.32 0.00 0.00 176.35 178.11 2nm2 h SER 20 N 6.84 0.28 -0.03 3.68 4.64 -1.97 -0.95 113.55 126.03 2nm2 h SER 20 Ca -0.26 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2nm2 h SER 20 Cb 1.21 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2nm2 h SER 20 CO 0.55 0.12 0.01 0.00 -0.87 0.00 0.00 176.83 176.64 2nm2 h ALA 21 N 1.62 0.03 0.00 5.18 0.00 -1.96 -0.30 119.26 123.84 2nm2 h ALA 21 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.32 2nm2 h ALA 21 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2nm2 h ALA 21 CO -0.11 -0.47 0.00 1.05 0.00 0.00 0.00 179.25 179.72 2nm2 h GLU 22 N 0.03 0.00 0.00 0.00 4.11 -1.59 -0.79 114.58 116.34 2nm2 h GLU 22 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 2nm2 h GLU 22 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2nm2 h GLU 22 CO -0.01 0.00 -0.05 0.09 0.07 0.00 0.00 179.01 179.11 2nm2 n ASN 23 N -2.93 0.42 -0.13 3.06 5.03 -0.28 -1.36 115.26 119.07 2nm2 n ASN 23 Ca 0.01 0.49 -0.21 0.00 0.87 0.00 0.00 54.58 55.73 2nm2 n ASN 23 Cb 0.27 -0.58 -0.11 0.00 -1.02 0.00 0.00 39.78 38.35 2nm2 n ASN 23 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 2nm2 n GLU 24 N -1.87 0.60 0.03 3.52 2.13 -0.28 -4.67 120.64 120.09 2nm2 n GLU 24 Ca 0.06 0.18 -0.19 0.00 0.66 0.00 0.00 57.16 57.87 2nm2 n GLU 24 Cb 0.39 -1.47 -0.14 0.00 0.27 0.00 0.00 31.44 30.48 2nm2 n GLU 24 CO 0.00 0.00 0.00 0.82 -0.41 0.00 0.00 177.13 177.54 2nm2 h ILE 25 N -0.34 1.53 0.00 6.31 2.04 -1.30 -3.51 117.51 122.25 2nm2 h ILE 25 Ca -0.59 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 62.77 2nm2 h ILE 25 Cb 1.76 3.21 0.00 0.00 -0.74 0.00 0.00 36.82 41.05 2nm2 h ILE 25 CO -0.20 0.70 0.00 0.61 0.00 0.00 0.00 178.15 179.26 2nm2 n GLY 26 N 1.66 -2.58 3.62 5.37 0.00 -0.46 -4.96 105.19 107.84 2nm2 n GLY 26 Ca -0.14 -1.65 -0.04 0.00 0.00 0.00 0.00 46.02 44.19 2nm2 n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2nm2 s GLN 27 N -0.73 0.19 0.08 1.61 -2.07 0.12 -4.96 119.66 113.90 2nm2 s GLN 27 Ca 0.00 0.00 -0.31 0.00 -1.82 0.00 0.00 55.36 53.23 2nm2 s GLN 27 Cb 0.00 0.09 -0.08 0.00 -1.09 0.00 0.00 33.01 31.93 2nm2 s GLN 27 CO 0.00 -0.07 1.46 0.42 -1.32 0.00 0.00 175.29 175.78 2nm2 s ILE 28 N -1.47 3.27 0.10 3.63 -1.09 -1.26 -2.50 121.20 121.88 2nm2 s ILE 28 Ca 0.08 0.83 0.05 0.00 -2.23 0.00 0.00 60.65 59.38 2nm2 s ILE 28 Cb -0.01 -3.53 -0.04 0.00 -1.58 0.00 0.00 42.46 37.30 2nm2 s ILE 28 CO -0.05 0.04 -0.00 -0.36 -1.23 0.00 0.00 174.94 173.33 2nm2 s PHE 29 N 1.72 2.97 -0.09 3.97 0.40 0.37 -4.52 117.98 122.81 2nm2 s PHE 29 Ca 0.67 -0.04 0.02 0.00 -0.60 0.00 0.00 56.93 56.98 2nm2 s PHE 29 Cb -0.37 -1.52 0.01 0.00 0.51 0.00 0.00 43.02 41.65 2nm2 s PHE 29 CO 0.30 0.48 -0.14 0.21 0.70 0.00 0.00 175.22 176.76 2nm2 s LYS 30 N -2.35 2.03 0.04 0.44 2.36 -0.57 -0.69 119.74 121.00 2nm2 s LYS 30 Ca 0.26 -0.51 0.04 0.00 -2.55 0.00 0.00 55.97 53.20 2nm2 s LYS 30 Cb -0.12 -1.68 -0.02 0.00 -1.05 0.00 0.00 37.83 34.96 2nm2 s LYS 30 CO 0.18 0.00 -0.11 0.08 1.55 0.00 0.00 175.35 177.06 2nm2 s VAL 31 N 0.77 0.83 -0.08 4.02 1.01 0.61 0.49 120.40 128.05 2nm2 s VAL 31 Ca -0.12 -0.99 0.01 0.00 0.00 0.00 0.00 61.98 60.87 2nm2 s VAL 31 Cb -0.16 -0.81 0.02 0.00 0.00 0.00 0.00 36.38 35.44 2nm2 s VAL 31 CO 0.02 -0.16 -0.07 -1.81 0.00 0.00 0.00 175.10 173.08 2nm2 s ASP 32 N -1.28 1.76 -0.12 3.32 1.01 0.49 0.41 116.67 122.26 2nm2 s ASP 32 Ca -0.03 -0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.00 2nm2 s ASP 32 Cb -0.08 -0.71 0.02 0.00 1.01 0.00 0.00 42.92 43.15 2nm2 s ASP 32 CO 0.01 -0.07 -0.14 -0.69 0.21 0.00 0.00 175.17 174.49 2nm2 s VAL 33 N 1.29 1.43 -0.28 -1.27 1.01 -1.23 0.22 120.40 121.56 2nm2 s VAL 33 Ca -0.04 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.36 2nm2 s VAL 33 Cb -0.14 -1.33 0.05 0.00 0.00 0.00 0.00 36.38 34.96 2nm2 s VAL 33 CO -0.03 0.43 -0.04 -0.89 0.00 0.00 0.00 175.10 174.57 2nm2 s THR 34 N 1.20 2.80 0.23 3.92 2.01 -0.28 -1.43 115.64 124.09 2nm2 s THR 34 Ca -0.02 -1.36 -0.30 0.00 0.31 0.00 0.00 61.69 60.32 2nm2 s THR 34 Cb -0.14 -2.57 -0.09 0.00 0.01 0.00 0.00 72.50 69.71 2nm2 s THR 34 CO -0.05 -0.02 0.95 -0.76 -0.69 0.00 0.00 174.62 174.06 2nm2 s LEU 35 N 1.24 4.63 -0.70 4.42 1.43 0.57 -3.06 118.68 127.20 2nm2 s LEU 35 Ca -0.05 1.96 -0.16 0.00 -1.03 0.00 0.00 54.13 54.85 2nm2 s LEU 35 Cb -0.19 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.57 2nm2 s LEU 35 CO -0.03 0.11 0.72 -0.75 0.23 0.00 0.00 176.35 176.63 2nm2 s LYS 36 N -1.08 3.28 0.34 1.70 2.20 -0.31 -0.81 119.74 125.06 2nm2 s LYS 36 Ca 0.42 -1.87 0.05 0.00 -0.36 0.00 0.00 55.97 54.21 2nm2 s LYS 36 Cb -0.26 -4.40 -0.07 0.00 -1.51 0.00 0.00 37.83 31.59 2nm2 s LYS 36 CO 0.32 -1.42 0.05 0.08 -0.36 0.00 0.00 175.35 174.02 2nm2 s VAL 37 N 1.52 1.38 -0.39 4.02 1.01 -1.25 0.72 120.40 127.42 2nm2 s VAL 37 Ca 0.14 -2.00 -0.05 0.00 0.00 0.00 0.00 61.98 60.07 2nm2 s VAL 37 Cb -0.19 -2.84 0.09 0.00 0.00 0.00 0.00 36.38 33.44 2nm2 s VAL 37 CO -0.02 -0.01 0.18 -0.62 0.00 0.00 0.00 175.10 174.64 2nm2 s ASP 38 N -3.54 5.31 -0.35 3.32 -1.08 -1.26 -4.38 116.67 114.69 2nm2 s ASP 38 Ca 0.36 -1.74 -0.01 0.00 -0.52 0.00 0.00 52.55 50.65 2nm2 s ASP 38 Cb 0.09 -1.86 0.27 0.00 -1.46 0.00 0.00 42.92 39.96 2nm2 s ASP 38 CO 0.16 -0.49 1.93 0.18 0.52 0.00 0.00 175.17 177.47 2nm2 n LEU 39 N 4.70 6.38 0.14 -1.34 4.77 -1.26 -4.56 117.00 125.84 2nm2 n LEU 39 Ca -0.07 -3.31 -0.07 0.00 -0.03 0.00 0.00 56.01 52.54 2nm2 n LEU 39 Cb 0.42 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 2nm2 n LEU 39 CO 0.34 1.18 0.20 0.28 -1.33 0.00 0.00 177.39 178.06 2nm2 h SER 40 N 1.38 -0.37 -0.33 -1.43 0.02 -1.93 -2.79 113.55 108.10 2nm2 h SER 40 Ca 0.34 0.01 -0.08 0.00 -0.84 0.00 0.00 61.79 61.23 2nm2 h SER 40 Cb 1.10 0.09 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 2nm2 h SER 40 CO 0.84 0.00 -0.09 -0.08 -1.14 0.00 0.00 176.83 176.36 2nm2 h GLU 41 N -0.96 0.64 -0.97 3.45 4.57 -1.84 -2.36 114.58 117.11 2nm2 h GLU 41 Ca -0.04 -0.25 0.20 0.00 -1.18 0.00 0.00 59.36 58.08 2nm2 h GLU 41 Cb 0.33 -0.03 -0.09 0.00 -0.16 0.00 0.00 28.75 28.80 2nm2 h GLU 41 CO 0.07 0.83 0.61 0.00 -1.18 0.00 0.00 179.01 179.34 2nm2 h ALA 42 N 0.80 1.89 -0.15 2.92 0.00 -1.71 0.31 119.26 123.32 2nm2 h ALA 42 Ca 0.08 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2nm2 h ALA 42 Cb 0.60 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2nm2 h ALA 42 CO 0.04 -0.23 0.05 0.78 0.00 0.00 0.00 179.25 179.89 2nm2 h GLY 43 N 0.63 0.24 0.00 0.00 0.00 -1.14 1.00 103.07 103.80 2nm2 h GLY 43 Ca 0.54 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2nm2 h GLY 43 CO -0.30 0.13 -0.04 -0.09 0.00 0.00 0.00 176.54 176.24 2nm2 h ARG 44 N 0.07 0.00 -0.97 4.80 2.43 -0.83 -3.38 114.38 116.50 2nm2 h ARG 44 Ca 0.05 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2nm2 h ARG 44 Cb 0.20 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 29.69 2nm2 h ARG 44 CO -0.00 0.00 0.64 1.79 -1.51 0.00 0.00 179.97 180.89 2nm2 h THR 45 N -0.87 1.22 -0.06 0.20 1.35 -0.60 -3.46 112.91 110.68 2nm2 h THR 45 Ca 0.00 -0.44 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 2nm2 h THR 45 Cb 0.04 -0.18 -0.01 0.00 -1.73 0.00 0.00 68.15 66.27 2nm2 h THR 45 CO 0.00 0.23 -0.02 -0.67 -0.25 0.00 0.00 175.52 174.81 2nm2 n ASP 46 N -4.43 -3.18 -4.51 5.36 -0.08 0.35 -5.01 116.55 105.04 2nm2 n ASP 46 Ca 0.12 0.03 -0.42 0.00 -1.51 0.00 0.00 54.79 53.01 2nm2 n ASP 46 Cb 0.04 -0.79 -0.09 0.00 2.34 0.00 0.00 41.12 42.62 2nm2 n ASP 46 CO 0.00 0.00 0.00 0.20 0.12 0.00 0.00 177.20 177.52 2nm2 s ASN 47 N -2.84 6.18 0.59 1.67 0.01 -1.26 -4.95 114.94 114.34 2nm2 s ASN 47 Ca 0.00 -0.52 0.34 0.00 -0.71 0.00 0.00 52.86 51.97 2nm2 s ASN 47 Cb 0.00 -2.21 1.30 0.00 0.41 0.00 0.00 41.25 40.75 2nm2 s ASN 47 CO 0.00 -0.47 1.54 1.62 -1.51 0.00 0.00 177.10 178.28 2nm2 h VAL 48 N 5.64 0.12 0.00 1.60 3.04 -1.95 1.35 116.25 126.05 2nm2 h VAL 48 Ca -0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 2nm2 h VAL 48 Cb 1.12 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2nm2 h VAL 48 CO 0.75 0.00 0.00 0.00 -1.01 0.00 0.00 177.57 177.31 2nm2 n ILE 49 N -3.61 0.99 -0.68 3.17 0.13 -1.26 -1.47 119.36 116.64 2nm2 n ILE 49 Ca 0.26 0.33 -0.05 0.00 -1.10 0.00 0.00 62.75 62.19 2nm2 n ILE 49 Cb 1.45 -1.23 0.26 0.00 -0.84 0.00 0.00 39.64 39.29 2nm2 n ILE 49 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 2nm2 n ASP 50 N -1.99 4.41 -0.36 9.51 8.00 0.46 -4.92 116.55 131.66 2nm2 n ASP 50 Ca 0.02 -3.00 0.00 0.00 0.71 0.00 0.00 54.79 52.52 2nm2 n ASP 50 Cb 0.17 -0.71 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2nm2 n ASP 50 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 2nm2 n THR 51 N -0.04 0.00 -4.03 -3.53 5.66 -0.54 -3.42 114.28 108.39 2nm2 n THR 51 Ca 0.34 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 61.03 2nm2 n THR 51 Cb 1.21 0.00 -0.16 0.00 -1.55 0.00 0.00 70.33 69.84 2nm2 n THR 51 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2nm2 s VAL 52 N -2.87 1.75 -0.18 1.08 1.01 -1.26 -5.01 120.40 114.91 2nm2 s VAL 52 Ca 0.00 -1.00 -0.28 0.00 0.00 0.00 0.00 61.98 60.70 2nm2 s VAL 52 Cb 0.00 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.57 2nm2 s VAL 52 CO 0.00 0.26 2.09 -2.28 0.00 0.00 0.00 175.10 175.17 2nm2 s HIS 53 N 1.36 1.31 0.32 5.22 2.46 -1.26 -4.82 115.29 119.88 2nm2 s HIS 53 Ca 0.00 0.37 0.17 0.00 0.47 0.00 0.00 55.06 56.07 2nm2 s HIS 53 Cb -0.15 -4.01 0.85 0.00 -0.13 0.00 0.00 32.58 29.14 2nm2 s HIS 53 CO -0.09 -4.17 1.85 0.10 -2.47 0.00 0.00 174.74 169.95 2nm2 h TYR 54 N 13.76 0.00 -0.28 3.88 -0.00 -1.98 -2.16 116.97 130.20 2nm2 h TYR 54 Ca -0.41 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.30 2nm2 h TYR 54 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.94 2nm2 h TYR 54 CO 0.94 0.33 0.08 0.78 -0.00 0.00 0.00 178.16 180.29 2nm2 h GLY 55 N 1.34 0.42 2.00 0.10 0.00 -1.99 0.70 103.07 105.64 2nm2 h GLY 55 Ca -0.00 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.03 2nm2 h GLY 55 CO 0.04 0.19 -0.48 0.83 0.00 0.00 0.00 176.54 177.13 2nm2 h GLU 56 N 0.39 0.00 -0.15 4.80 5.08 -1.83 -2.98 114.58 119.89 2nm2 h GLU 56 Ca 0.10 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.25 2nm2 h GLU 56 Cb 0.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2nm2 h GLU 56 CO -0.01 0.48 -0.72 0.28 -1.00 0.00 0.00 179.01 178.04 2nm2 h VAL 57 N 0.00 1.31 -0.10 3.13 2.07 -0.07 -2.92 116.25 119.67 2nm2 h VAL 57 Ca -0.00 -1.98 -0.03 0.00 0.82 0.00 0.00 66.70 65.51 2nm2 h VAL 57 Cb 1.31 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 2nm2 h VAL 57 CO 0.06 0.62 -0.06 0.15 0.02 0.00 0.00 177.57 178.36 2nm2 h PHE 58 N 0.48 0.15 0.62 1.57 3.57 0.34 -2.93 116.94 120.73 2nm2 h PHE 58 Ca -0.03 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2nm2 h PHE 58 Cb 1.33 -0.05 0.01 0.00 2.79 0.00 0.00 35.95 40.02 2nm2 h PHE 58 CO 0.07 0.22 -0.30 0.93 -2.23 0.00 0.00 178.31 177.00 2nm2 h GLU 59 N 0.15 -0.80 -0.19 1.11 4.39 -1.37 0.98 114.58 118.86 2nm2 h GLU 59 Ca 0.03 0.05 0.05 0.00 0.34 0.00 0.00 59.36 59.84 2nm2 h GLU 59 Cb 0.21 0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2nm2 h GLU 59 CO 0.01 -0.50 0.30 0.93 -1.16 0.00 0.00 179.01 178.59 2nm2 h GLU 60 N -0.94 0.00 0.06 2.33 4.39 -1.43 0.44 114.58 119.43 2nm2 h GLU 60 Ca -0.08 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.29 2nm2 h GLU 60 Cb 0.67 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.28 2nm2 h GLU 60 CO 0.14 0.00 -1.84 0.28 -1.16 0.00 0.00 179.01 176.43 2nm2 n VAL 61 N -3.45 1.69 -0.04 3.13 0.31 -1.06 -3.66 118.33 115.24 2nm2 n VAL 61 Ca 0.02 -0.73 -0.11 0.00 -0.01 0.00 0.00 64.34 63.50 2nm2 n VAL 61 Cb 0.42 -1.35 -0.05 0.00 -0.91 0.00 0.00 33.84 31.94 2nm2 n VAL 61 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2nm2 h LYS 62 N 0.03 0.25 -0.93 5.55 3.64 0.20 -1.55 116.57 123.76 2nm2 h LYS 62 Ca -0.35 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 59.07 2nm2 h LYS 62 Cb 2.02 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.74 2nm2 h LYS 62 CO 0.08 0.36 0.60 0.66 -2.27 0.00 0.00 179.45 178.89 2nm2 h SER 63 N 0.08 0.87 -0.10 4.20 4.64 -0.46 0.31 113.55 123.10 2nm2 h SER 63 Ca 0.05 0.02 -0.10 0.00 -0.47 0.00 0.00 61.79 61.29 2nm2 h SER 63 Cb 0.22 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.15 2nm2 h SER 63 CO -0.00 0.52 -0.34 0.40 -0.87 0.00 0.00 176.83 176.53 2nm2 h ILE 64 N 0.96 1.39 0.20 0.95 1.08 -1.58 -1.78 117.51 118.73 2nm2 h ILE 64 Ca 0.43 -1.69 -0.28 0.00 -0.39 0.00 0.00 64.86 62.93 2nm2 h ILE 64 Cb 0.36 2.20 0.03 0.00 -3.07 0.00 0.00 36.82 36.35 2nm2 h ILE 64 CO -0.19 0.49 -1.24 0.24 -0.69 0.00 0.00 178.15 176.77 2nm2 h MET 65 N -0.04 0.48 0.00 2.37 2.86 -1.11 -3.21 114.93 116.29 2nm2 h MET 65 Ca -0.02 -0.79 0.00 0.00 -2.06 0.00 0.00 59.70 56.84 2nm2 h MET 65 Cb 0.97 0.29 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2nm2 h MET 65 CO 0.07 1.37 0.00 0.39 1.06 0.00 0.00 176.91 179.80 2nm2 n GLU 66 N -3.86 0.18 0.00 1.72 -0.58 0.11 -4.55 120.64 113.66 2nm2 n GLU 66 Ca -0.15 0.03 0.00 0.00 -0.42 0.00 0.00 57.16 56.61 2nm2 n GLU 66 Cb 1.00 -1.50 0.00 0.00 -0.57 0.00 0.00 31.44 30.37 2nm2 n GLU 66 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2nm2 n GLY 67 N 1.22 -0.47 3.33 0.62 0.00 -0.67 -5.02 105.19 104.21 2nm2 n GLY 67 Ca 0.10 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 2nm2 n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2nm2 n LYS 68 N 0.00 -3.47 -3.17 1.61 2.85 -1.26 -4.94 118.16 109.79 2nm2 n LYS 68 Ca 0.00 -1.01 -0.37 0.00 -1.05 0.00 0.00 58.31 55.89 2nm2 n LYS 68 Cb 0.00 -2.00 -0.06 0.00 -0.65 0.00 0.00 35.03 32.32 2nm2 n LYS 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2nm2 s ALA 69 N -2.25 3.48 0.32 0.58 0.00 -1.26 -4.90 121.76 117.72 2nm2 s ALA 69 Ca 0.66 0.11 0.04 0.00 0.00 0.00 0.00 51.96 52.77 2nm2 s ALA 69 Cb -0.19 -2.75 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2nm2 s ALA 69 CO 0.61 0.36 0.18 0.14 0.00 0.00 0.00 175.76 177.05 2nm2 s VAL 70 N -1.41 0.26 -0.12 0.00 -7.23 -1.26 -5.02 120.40 105.62 2nm2 s VAL 70 Ca 0.39 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.46 2nm2 s VAL 70 Cb -0.17 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.25 2nm2 s VAL 70 CO 0.21 0.00 -0.19 -3.20 -0.31 0.00 0.00 175.10 171.61 2nm2 n ASN 71 N -1.08 1.40 -4.81 4.85 5.15 -1.26 -0.84 115.26 118.67 2nm2 n ASN 71 Ca 0.02 0.42 -0.29 0.00 -0.60 0.00 0.00 54.58 54.13 2nm2 n ASN 71 Cb 0.64 -0.74 -0.06 0.00 -0.53 0.00 0.00 39.78 39.10 2nm2 n ASN 71 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2nm2 s LEU 72 N -7.26 3.91 0.42 1.20 1.43 -1.26 -2.34 118.68 114.78 2nm2 s LEU 72 Ca -0.16 -0.00 0.12 0.00 -1.03 0.00 0.00 54.13 53.06 2nm2 s LEU 72 Cb 0.02 -2.55 0.92 0.00 0.03 0.00 0.00 46.19 44.61 2nm2 s LEU 72 CO 0.23 0.13 1.98 -0.07 0.23 0.00 0.00 176.35 178.86 2nm2 h LEU 73 N 2.91 0.15 -0.48 1.79 3.38 -1.99 -1.89 115.31 119.19 2nm2 h LEU 73 Ca -0.47 -0.02 0.09 0.00 0.09 0.00 0.00 57.88 57.57 2nm2 h LEU 73 Cb 1.18 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.81 2nm2 h LEU 73 CO 0.66 0.27 0.01 -0.33 0.09 0.00 0.00 178.44 179.14 2nm2 h GLU 74 N 0.16 0.12 -0.17 1.13 3.07 -1.97 0.26 114.58 117.19 2nm2 h GLU 74 Ca 0.04 -0.01 -0.05 0.00 -0.50 0.00 0.00 59.36 58.84 2nm2 h GLU 74 Cb 0.27 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.15 2nm2 h GLU 74 CO 0.01 0.08 -0.09 1.25 -1.40 0.00 0.00 179.01 178.86 2nm2 h HIS 75 N 0.12 0.42 -1.03 4.33 2.76 -1.77 0.33 115.15 120.33 2nm2 h HIS 75 Ca 0.24 -0.11 0.27 0.00 -2.20 0.00 0.00 60.37 58.57 2nm2 h HIS 75 Cb 0.36 -0.10 -0.12 0.00 1.55 0.00 0.00 27.41 29.10 2nm2 h HIS 75 CO -0.30 0.69 0.62 1.25 -1.30 0.00 0.00 177.93 178.89 2nm2 h LEU 76 N 0.04 0.58 0.00 0.26 6.46 -1.01 0.95 115.31 122.59 2nm2 h LEU 76 Ca 0.04 0.13 -0.10 0.00 -0.12 0.00 0.00 57.88 57.83 2nm2 h LEU 76 Cb 0.58 0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 2nm2 h LEU 76 CO 0.03 0.05 -0.74 0.00 -0.62 0.00 0.00 178.44 177.16 2nm2 h ALA 77 N 1.72 0.69 -0.63 1.25 0.00 -0.54 -3.17 119.26 118.58 2nm2 h ALA 77 Ca 0.65 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 2nm2 h ALA 77 Cb 1.41 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2nm2 h ALA 77 CO -0.45 0.56 0.08 0.93 0.00 0.00 0.00 179.25 180.37 2nm2 h GLU 78 N 0.00 1.06 0.00 0.00 3.07 0.49 0.84 114.58 120.04 2nm2 h GLU 78 Ca -0.05 -0.30 -0.22 0.00 -0.50 0.00 0.00 59.36 58.30 2nm2 h GLU 78 Cb 1.35 -0.12 -0.03 0.00 -0.84 0.00 0.00 28.75 29.12 2nm2 h GLU 78 CO 0.05 0.99 -1.05 0.00 -1.40 0.00 0.00 179.01 177.60 2nm2 h ARG 79 N 0.97 0.00 0.51 2.33 -0.00 -1.33 -3.23 114.38 113.63 2nm2 h ARG 79 Ca 0.19 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.98 59.65 2nm2 h ARG 79 Cb 0.47 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.43 2nm2 h ARG 79 CO 0.02 0.96 -0.33 0.82 0.00 0.00 0.00 179.97 181.44 2nm2 h ILE 80 N 0.00 0.32 0.00 2.04 2.04 -1.45 -0.58 117.51 119.87 2nm2 h ILE 80 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 2nm2 h ILE 80 Cb 1.79 0.32 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2nm2 h ILE 80 CO 0.13 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.28 2nm2 n ALA 81 N -2.56 0.00 -0.31 1.87 0.00 0.26 -2.60 120.51 117.17 2nm2 n ALA 81 Ca -0.12 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.50 2nm2 n ALA 81 Cb 0.36 0.06 0.44 0.00 0.00 0.00 0.00 19.45 20.30 2nm2 n ALA 81 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 2nm2 h ASN 82 N 0.00 0.57 -1.00 0.00 -0.26 -1.65 -1.01 115.58 112.24 2nm2 h ASN 82 Ca 0.00 0.08 0.27 0.00 -0.56 0.00 0.00 56.30 56.09 2nm2 h ASN 82 Cb 0.00 -0.02 -0.13 0.00 -1.06 0.00 0.00 38.32 37.11 2nm2 h ASN 82 CO 0.00 0.18 0.57 -0.09 -1.06 0.00 0.00 177.43 177.03 2nm2 h ARG 83 N 0.54 0.48 0.12 0.81 9.65 -0.92 1.19 114.38 126.24 2nm2 h ARG 83 Ca 0.56 -0.03 -0.33 0.00 -1.10 0.00 0.00 59.98 59.08 2nm2 h ARG 83 Cb 1.19 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2nm2 h ARG 83 CO -0.31 0.31 -1.75 0.82 2.80 0.00 0.00 179.97 181.85 2nm2 h ILE 84 N 0.49 0.80 -0.62 1.20 1.08 -0.97 -3.07 117.51 116.42 2nm2 h ILE 84 Ca 0.67 -2.36 0.09 0.00 -0.39 0.00 0.00 64.86 62.86 2nm2 h ILE 84 Cb 1.35 2.56 -0.07 0.00 -3.07 0.00 0.00 36.82 37.60 2nm2 h ILE 84 CO -0.52 0.79 0.26 0.78 -0.69 0.00 0.00 178.15 178.76 2nm2 h ASN 85 N -0.12 0.28 0.64 1.72 4.21 -0.07 -0.83 115.58 121.42 2nm2 h ASN 85 Ca -0.38 0.07 -0.18 0.00 1.21 0.00 0.00 56.30 57.02 2nm2 h ASN 85 Cb 1.91 0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 39.13 2nm2 h ASN 85 CO 0.06 0.17 -0.83 0.77 -1.29 0.00 0.00 177.43 176.31 2nm2 h SER 86 N 0.45 0.17 1.36 5.81 4.64 0.12 -3.33 113.55 122.77 2nm2 h SER 86 Ca 0.31 -0.13 -0.13 0.00 -0.47 0.00 0.00 61.79 61.37 2nm2 h SER 86 Cb 0.36 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 62.38 2nm2 h SER 86 CO -0.29 0.92 -0.66 -0.61 -0.87 0.00 0.00 176.83 175.33 2nm2 h GLN 87 N 0.07 0.00 -4.02 4.77 5.75 -1.31 -3.43 115.11 116.95 2nm2 h GLN 87 Ca -0.03 0.00 -0.60 0.00 -0.15 0.00 0.00 58.65 57.87 2nm2 h GLN 87 Cb 1.45 0.00 -0.40 0.00 1.07 0.00 0.00 27.48 29.60 2nm2 h GLN 87 CO 0.12 0.55 -0.75 0.71 -2.65 0.00 0.00 178.83 176.81 2nm2 s TYR 88 N -2.92 2.32 -1.39 3.99 1.51 -0.37 -4.94 117.35 115.55 2nm2 s TYR 88 Ca 0.03 -1.99 0.05 0.00 -1.01 0.00 0.00 57.07 54.16 2nm2 s TYR 88 Cb 0.08 -1.93 0.27 0.00 -0.11 0.00 0.00 41.96 40.27 2nm2 s TYR 88 CO 0.76 -0.85 1.02 -1.71 -1.11 0.00 0.00 175.55 173.66 2nm2 n ASN 89 N 4.68 0.00 0.06 2.29 4.05 -1.26 -1.93 115.26 123.14 2nm2 n ASN 89 Ca -0.03 0.23 -0.21 0.00 0.45 0.00 0.00 54.58 55.02 2nm2 n ASN 89 Cb 0.43 -0.30 -0.11 0.00 1.23 0.00 0.00 39.78 41.02 2nm2 n ASN 89 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 177.26 174.24 2nm2 h ARG 90 N 0.00 0.68 -6.21 1.20 3.08 -1.93 -3.45 114.38 107.76 2nm2 h ARG 90 Ca 0.00 -0.79 -0.56 0.00 0.07 0.00 0.00 59.98 58.70 2nm2 h ARG 90 Cb 0.05 0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 2nm2 h ARG 90 CO 0.00 1.35 0.06 0.08 -1.07 0.00 0.00 179.97 180.39 2nm2 s VAL 91 N -3.21 4.79 -0.07 2.04 1.01 -0.82 -4.45 120.40 119.68 2nm2 s VAL 91 Ca -0.10 1.40 -0.10 0.00 0.00 0.00 0.00 61.98 63.19 2nm2 s VAL 91 Cb 0.06 -4.00 -0.29 0.00 0.00 0.00 0.00 36.38 32.15 2nm2 s VAL 91 CO 0.93 0.43 0.56 0.24 0.00 0.00 0.00 175.10 177.26 2nm2 h MET 92 N 5.41 0.35 -3.93 2.72 2.86 -0.02 -3.44 114.93 118.89 2nm2 h MET 92 Ca -0.45 -0.60 -0.21 0.00 -2.06 0.00 0.00 59.70 56.37 2nm2 h MET 92 Cb 1.20 0.23 -0.24 0.00 0.06 0.00 0.00 31.60 32.85 2nm2 h MET 92 CO 0.69 1.29 -0.71 -2.00 1.06 0.00 0.00 176.91 177.24 2nm2 s GLU 93 N -2.57 0.20 -0.28 1.72 2.12 -1.22 -0.18 118.70 118.49 2nm2 s GLU 93 Ca -0.18 -0.34 -0.01 0.00 0.36 0.00 0.00 54.97 54.79 2nm2 s GLU 93 Cb 0.06 0.01 0.04 0.00 0.26 0.00 0.00 34.13 34.51 2nm2 s GLU 93 CO 0.83 -0.01 -0.03 0.99 -0.54 0.00 0.00 175.26 176.49 2nm2 s THR 94 N -0.78 2.88 -0.40 -1.70 2.01 0.29 -1.17 115.64 116.78 2nm2 s THR 94 Ca -0.08 -1.30 -0.11 0.00 0.31 0.00 0.00 61.69 60.51 2nm2 s THR 94 Cb -0.05 -2.60 0.05 0.00 0.01 0.00 0.00 72.50 69.90 2nm2 s THR 94 CO -0.00 -0.01 0.24 -0.75 -0.69 0.00 0.00 174.62 173.41 2nm2 s LYS 95 N 1.26 2.77 -0.16 4.92 2.20 -1.17 -1.90 119.74 127.66 2nm2 s LYS 95 Ca -0.04 -1.23 -0.04 0.00 -0.36 0.00 0.00 55.97 54.31 2nm2 s LYS 95 Cb -0.19 -3.80 -0.03 0.00 -1.51 0.00 0.00 37.83 32.31 2nm2 s LYS 95 CO -0.02 -0.82 -0.04 0.54 -0.36 0.00 0.00 175.35 174.65 2nm2 s VAL 96 N 1.53 3.85 -0.15 4.02 0.11 -0.30 -1.13 120.40 128.33 2nm2 s VAL 96 Ca 0.02 -0.37 0.02 0.00 -2.93 0.00 0.00 61.98 58.72 2nm2 s VAL 96 Cb -0.21 -2.69 0.01 0.00 -1.53 0.00 0.00 36.38 31.97 2nm2 s VAL 96 CO 0.05 0.49 -0.21 -0.60 -3.33 0.00 0.00 175.10 171.50 2nm2 s ARG 97 N 0.42 2.98 -0.12 1.54 3.52 0.13 -0.68 118.95 126.75 2nm2 s ARG 97 Ca -0.04 -0.84 0.03 0.00 -0.13 0.00 0.00 55.73 54.76 2nm2 s ARG 97 Cb -0.14 -2.45 0.00 0.00 -1.56 0.00 0.00 34.95 30.80 2nm2 s ARG 97 CO 0.03 -0.07 -0.23 0.42 -0.81 0.00 0.00 175.30 174.64 2nm2 s ILE 98 N 0.94 2.09 0.02 4.11 1.01 0.34 -0.38 121.20 129.32 2nm2 s ILE 98 Ca -0.04 -0.99 0.08 0.00 0.00 0.00 0.00 60.65 59.70 2nm2 s ILE 98 Cb -0.15 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 2nm2 s ILE 98 CO -0.05 0.55 -0.24 -0.89 0.00 0.00 0.00 174.94 174.31 2nm2 s THR 99 N 0.52 1.95 -0.58 2.92 2.01 0.18 -1.74 115.64 120.91 2nm2 s THR 99 Ca -0.14 -1.20 0.03 0.00 0.31 0.00 0.00 61.69 60.69 2nm2 s THR 99 Cb -0.17 -1.65 0.14 0.00 0.01 0.00 0.00 72.50 70.83 2nm2 s THR 99 CO 0.05 0.42 0.34 -0.75 -0.69 0.00 0.00 174.62 173.98 2nm2 s LYS 100 N -0.93 2.18 0.31 4.92 2.20 0.35 -1.51 119.74 127.26 2nm2 s LYS 100 Ca 0.10 -2.75 0.01 0.00 -0.36 0.00 0.00 55.97 52.97 2nm2 s LYS 100 Cb -0.09 -3.41 0.55 0.00 -1.51 0.00 0.00 37.83 33.36 2nm2 s LYS 100 CO 0.01 -1.15 1.92 0.93 -0.36 0.00 0.00 175.35 176.69 2nm2 h GLU 101 N 6.38 0.98 -2.12 4.03 5.08 -1.80 -2.33 114.58 124.79 2nm2 h GLU 101 Ca -0.03 -0.06 -0.58 0.00 -1.00 0.00 0.00 59.36 57.70 2nm2 h GLU 101 Cb 0.88 -0.22 -0.41 0.00 0.50 0.00 0.00 28.75 29.50 2nm2 h GLU 101 CO 0.70 0.65 -0.82 0.09 -1.00 0.00 0.00 179.01 178.63 2nm2 n ASN 102 N -4.48 2.42 -3.92 1.42 3.02 -1.26 -4.45 115.26 108.00 2nm2 n ASN 102 Ca 0.13 -3.19 -0.30 0.00 -0.03 0.00 0.00 54.58 51.20 2nm2 n ASN 102 Cb 0.19 -0.64 0.24 0.00 -0.61 0.00 0.00 39.78 38.96 2nm2 n ASN 102 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2nm2 s PRO 103 N -2.16 -1.28 -0.17 3.52 0.04 -1.24 -4.91 135.00 128.80 2nm2 s PRO 103 Ca 0.39 0.10 -0.00 0.00 0.04 0.00 0.00 61.00 61.53 2nm2 s PRO 103 Cb 0.19 -1.57 0.12 0.00 0.04 0.00 0.00 34.50 33.27 2nm2 s PRO 103 CO -0.06 -3.78 1.98 -0.35 0.04 0.00 0.00 177.00 174.83 2nm2 n PRO 104 N -4.84 1.43 -4.77 0.56 -0.04 -1.26 -4.84 135.00 121.25 2nm2 n PRO 104 Ca 0.11 -0.85 -0.33 0.00 -0.04 0.00 0.00 63.50 62.40 2nm2 n PRO 104 Cb 0.59 -1.33 -0.15 0.00 -0.04 0.00 0.00 33.50 32.56 2nm2 n PRO 104 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2nm2 s ILE 105 N -1.23 2.66 -0.38 0.52 -4.36 -1.26 -5.09 121.20 112.07 2nm2 s ILE 105 Ca 0.17 -0.79 -0.28 0.00 -0.26 0.00 0.00 60.65 59.49 2nm2 s ILE 105 Cb 0.13 -2.10 -0.01 0.00 1.25 0.00 0.00 42.46 41.73 2nm2 s ILE 105 CO -0.00 0.53 1.69 -2.84 0.24 0.00 0.00 174.94 174.56 2nm2 s PRO 106 N 0.55 3.35 0.00 0.37 0.02 -1.26 -4.89 135.00 133.13 2nm2 s PRO 106 Ca -0.10 1.22 0.00 0.00 0.02 0.00 0.00 61.00 62.13 2nm2 s PRO 106 Cb -0.16 -4.16 0.00 0.00 0.02 0.00 0.00 34.50 30.20 2nm2 s PRO 106 CO 0.04 -1.84 0.00 0.41 -0.33 0.00 0.00 177.00 175.28 2nm2 n GLY 107 N 5.35 -2.33 3.20 0.52 0.00 -1.26 -5.12 105.19 105.56 2nm2 n GLY 107 Ca 0.21 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 2nm2 n GLY 107 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nm2 s HIS 108 N -2.25 3.12 0.20 1.61 3.76 -1.26 -5.09 115.29 115.37 2nm2 s HIS 108 Ca 0.00 -1.58 -0.15 0.00 -0.15 0.00 0.00 55.06 53.18 2nm2 s HIS 108 Cb 0.00 -2.08 0.02 0.00 1.11 0.00 0.00 32.58 31.62 2nm2 s HIS 108 CO 0.00 -0.73 0.48 1.52 -0.85 0.00 0.00 174.74 175.16 2nm2 s TYR 109 N 1.32 0.05 0.01 1.40 -0.85 -1.26 -5.07 117.35 112.95 2nm2 s TYR 109 Ca -0.01 -0.40 -0.23 0.00 -0.52 0.00 0.00 57.07 55.91 2nm2 s TYR 109 Cb -0.17 0.29 -0.13 0.00 0.38 0.00 0.00 41.96 42.33 2nm2 s TYR 109 CO -0.03 -0.91 1.02 -0.44 -1.52 0.00 0.00 175.55 173.67 2nm2 h ASP 110 N 2.26 -0.69 0.00 -0.18 5.19 -1.98 -3.49 116.42 117.52 2nm2 h ASP 110 Ca -0.28 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.15 2nm2 h ASP 110 Cb 1.25 0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.94 2nm2 h ASP 110 CO 0.38 -0.36 0.00 0.61 -3.12 0.00 0.00 179.24 176.76 2nm2 n GLY 111 N -0.51 -0.19 3.03 2.75 0.00 -1.26 -4.63 105.19 104.39 2nm2 n GLY 111 Ca -0.10 -0.92 -0.17 0.00 0.00 0.00 0.00 46.02 44.83 2nm2 n GLY 111 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nm2 s VAL 112 N -2.00 0.68 0.00 1.61 -7.23 -0.88 -4.91 120.40 107.67 2nm2 s VAL 112 Ca 0.00 -0.56 0.00 0.00 -1.81 0.00 0.00 61.98 59.61 2nm2 s VAL 112 Cb 0.00 -0.61 0.00 0.00 0.56 0.00 0.00 36.38 36.33 2nm2 s VAL 112 CO 0.00 0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 2nm2 n GLY 113 N 2.49 1.33 3.22 2.32 0.00 -1.26 0.13 105.19 113.43 2nm2 n GLY 113 Ca -0.16 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2nm2 n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2nm2 s ILE 114 N -2.40 0.12 -0.08 -0.61 -5.25 -0.71 -4.99 121.20 107.28 2nm2 s ILE 114 Ca 0.00 -1.47 -0.03 0.00 -0.99 0.00 0.00 60.65 58.16 2nm2 s ILE 114 Cb 0.00 -1.66 0.05 0.00 2.95 0.00 0.00 42.46 43.80 2nm2 s ILE 114 CO 0.00 -0.55 0.15 -0.70 -1.79 0.00 0.00 174.94 172.05 2nm2 s GLU 115 N -3.94 0.03 0.13 0.37 2.12 -1.26 -0.51 118.70 115.65 2nm2 s GLU 115 Ca 0.13 0.54 0.06 0.00 0.36 0.00 0.00 54.97 56.06 2nm2 s GLU 115 Cb 0.05 -0.28 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 2nm2 s GLU 115 CO -0.05 -0.30 -0.02 0.96 -0.54 0.00 0.00 175.26 175.31 2nm2 s ILE 116 N 2.21 3.76 -0.26 -3.70 -4.36 0.15 -4.97 121.20 114.03 2nm2 s ILE 116 Ca 0.02 -1.23 0.01 0.00 -0.26 0.00 0.00 60.65 59.19 2nm2 s ILE 116 Cb -0.12 -2.83 0.07 0.00 1.25 0.00 0.00 42.46 40.83 2nm2 s ILE 116 CO -0.06 0.02 -0.03 -0.69 0.24 0.00 0.00 174.94 174.42 2nm2 s VAL 117 N -1.47 1.56 -0.04 8.37 1.01 -1.26 -1.15 120.40 127.41 2nm2 s VAL 117 Ca 0.26 -1.38 0.06 0.00 0.00 0.00 0.00 61.98 60.92 2nm2 s VAL 117 Cb -0.11 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.37 2nm2 s VAL 117 CO 0.18 -0.22 -0.22 -0.13 0.00 0.00 0.00 175.10 174.70 2nm2 s ARG 118 N 1.36 2.14 0.00 2.72 1.81 -0.80 -4.99 118.95 121.19 2nm2 s ARG 118 Ca -0.02 -0.80 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 2nm2 s ARG 118 Cb -0.19 -1.89 0.00 0.00 -0.45 0.00 0.00 34.95 32.42 2nm2 s ARG 118 CO -0.08 0.38 0.00 -0.85 -0.68 0.00 0.00 175.30 174.07 2nm2 n GLU 119 N 2.86 3.18 -4.49 3.54 0.28 -1.26 0.11 120.64 124.87 2nm2 n GLU 119 Ca -0.17 0.00 -0.27 0.00 -0.16 0.00 0.00 57.16 56.56 2nm2 n GLU 119 Cb 0.52 0.00 -0.13 0.00 1.43 0.00 0.00 31.44 33.26 2nm2 n GLU 119 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 177.13 178.18 2nm2 s ASN 120 N -0.75 2.93 0.00 -1.84 3.84 0.75 -4.78 114.94 115.08 2nm2 s ASN 120 Ca 0.00 -0.67 0.00 0.00 0.21 0.00 0.00 52.86 52.40 2nm2 s ASN 120 Cb 0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 41.25 40.50 2nm2 s ASN 120 CO 0.00 0.15 0.24 0.29 -2.79 0.00 0.00 177.10 174.99