#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 0.40 -2.58 2.12 6.02 -1.26 -5.09 117.38 116.99 2nm2 n GLN 2 Ca 0.00 -2.22 -0.34 0.00 -0.01 0.00 0.00 57.00 54.43 2nm2 n GLN 2 Cb 0.00 -0.29 -0.04 0.00 1.02 0.00 0.00 30.24 30.93 2nm2 n GLN 2 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2nm2 s ASP 3 N -2.28 6.42 -0.19 1.08 1.11 -1.26 -5.06 116.67 116.49 2nm2 s ASP 3 Ca 0.29 1.90 -0.08 0.00 0.18 0.00 0.00 52.55 54.84 2nm2 s ASP 3 Cb 0.35 -2.56 0.08 0.00 1.07 0.00 0.00 42.92 41.86 2nm2 s ASP 3 CO -0.13 -0.72 0.43 0.42 1.18 0.00 0.00 175.17 176.35 2nm2 s THR 4 N -2.00 -0.39 -0.07 -1.27 -4.23 -1.25 -3.60 115.64 102.82 2nm2 s THR 4 Ca 0.67 0.13 -0.29 0.00 -1.18 0.00 0.00 61.69 61.02 2nm2 s THR 4 Cb -0.15 -0.66 -0.02 0.00 1.34 0.00 0.00 72.50 73.00 2nm2 s THR 4 CO 0.19 0.05 0.94 -0.63 -0.54 0.00 0.00 174.62 174.64 2nm2 s ILE 5 N 2.12 4.85 0.07 2.99 1.01 -0.75 -4.85 121.20 126.63 2nm2 s ILE 5 Ca -0.05 1.93 0.10 0.00 0.00 0.00 0.00 60.65 62.63 2nm2 s ILE 5 Cb -0.10 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 2nm2 s ILE 5 CO -0.13 0.09 -0.26 0.72 0.00 0.00 0.00 174.94 175.36 2nm2 s PHE 6 N 1.57 2.25 -0.38 3.97 -0.12 -1.26 0.17 117.98 124.18 2nm2 s PHE 6 Ca 0.47 -0.40 0.01 0.00 -0.05 0.00 0.00 56.93 56.96 2nm2 s PHE 6 Cb -0.19 -1.31 0.13 0.00 -0.63 0.00 0.00 43.02 41.03 2nm2 s PHE 6 CO 0.21 0.19 0.21 -0.51 -0.05 0.00 0.00 175.22 175.26 2nm2 s LEU 7 N -1.50 1.67 -0.12 -1.99 1.43 -0.26 -5.01 118.68 112.90 2nm2 s LEU 7 Ca 0.12 -2.26 -0.01 0.00 -1.03 0.00 0.00 54.13 50.94 2nm2 s LEU 7 Cb -0.10 -0.66 -0.02 0.00 0.03 0.00 0.00 46.19 45.44 2nm2 s LEU 7 CO 0.03 -0.31 -0.08 -1.59 0.23 0.00 0.00 176.35 174.64 2nm2 s LYS 8 N 0.90 3.33 0.00 1.70 -2.85 -1.26 -1.07 119.74 120.49 2nm2 s LYS 8 Ca 0.17 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.55 2nm2 s LYS 8 Cb -0.23 -2.73 0.00 0.00 -2.06 0.00 0.00 37.83 32.81 2nm2 s LYS 8 CO -0.03 0.35 0.00 0.41 0.10 0.00 0.00 175.35 176.18 2nm2 n GLY 9 N 3.18 0.76 3.66 0.59 0.00 -1.24 -5.01 105.19 107.12 2nm2 n GLY 9 Ca -0.18 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.57 4.13 -0.12 1.61 -1.94 -1.07 -4.75 119.30 116.59 2nm2 s MET 10 Ca 0.00 2.51 0.03 0.00 -1.71 0.00 0.00 55.69 56.52 2nm2 s MET 10 Cb 0.00 -4.13 0.01 0.00 2.01 0.00 0.00 34.83 32.72 2nm2 s MET 10 CO 0.00 -0.95 -0.23 1.03 -0.01 0.00 0.00 175.02 174.86 2nm2 s ARG 11 N 4.41 3.01 0.41 2.03 0.52 -1.26 0.91 118.95 128.98 2nm2 s ARG 11 Ca 0.85 -0.86 0.04 0.00 -0.52 0.00 0.00 55.73 55.25 2nm2 s ARG 11 Cb -0.40 -2.36 -0.05 0.00 0.52 0.00 0.00 34.95 32.65 2nm2 s ARG 11 CO 0.39 0.07 0.04 -0.06 0.02 0.00 0.00 175.30 175.76 2nm2 s PHE 12 N 0.61 2.09 -0.40 -0.53 0.08 -0.40 -4.86 117.98 114.57 2nm2 s PHE 12 Ca -0.12 -0.92 -0.03 0.00 0.12 0.00 0.00 56.93 55.98 2nm2 s PHE 12 Cb -0.17 -1.51 0.10 0.00 -0.57 0.00 0.00 43.02 40.88 2nm2 s PHE 12 CO 0.03 0.16 0.18 -0.47 -0.10 0.00 0.00 175.22 175.02 2nm2 s TYR 13 N -2.98 3.55 0.15 0.36 6.14 -1.26 0.30 117.35 123.60 2nm2 s TYR 13 Ca 0.26 -2.32 0.09 0.00 0.64 0.00 0.00 57.07 55.74 2nm2 s TYR 13 Cb 0.06 -3.09 -0.04 0.00 0.42 0.00 0.00 41.96 39.32 2nm2 s TYR 13 CO 0.13 -0.95 -0.17 0.20 0.64 0.00 0.00 175.55 175.40 2nm2 s GLY 14 N 1.76 1.70 -0.30 8.97 0.00 -0.37 -4.84 107.32 114.25 2nm2 s GLY 14 Ca 0.07 -1.45 0.11 0.00 0.00 0.00 0.00 44.72 43.44 2nm2 s GLY 14 CO -0.04 -1.45 1.76 -1.72 0.00 0.00 0.00 173.10 171.65 2nm2 n TYR 15 N 0.48 2.24 -2.13 1.90 4.02 -1.26 -0.18 117.16 122.22 2nm2 n TYR 15 Ca -0.14 -1.15 -0.33 0.00 -0.01 0.00 0.00 57.90 56.27 2nm2 n TYR 15 Cb 0.54 -0.63 0.00 0.00 -0.02 0.00 0.00 39.34 39.23 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 -2.98 3.07 0.00 -0.72 3.76 -1.26 -3.16 115.29 114.00 2nm2 s HIS 16 Ca 0.54 1.51 0.00 0.00 -0.15 0.00 0.00 55.06 56.95 2nm2 s HIS 16 Cb 0.43 -2.97 0.00 0.00 1.11 0.00 0.00 32.58 31.15 2nm2 s HIS 16 CO 0.13 -0.97 0.00 0.41 -0.85 0.00 0.00 174.74 173.46 2nm2 n GLY 17 N -1.04 3.80 0.01 -2.22 0.00 -0.63 -4.59 105.19 100.51 2nm2 n GLY 17 Ca 0.08 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.34 2.84 -1.93 4.61 0.00 -1.12 -4.41 120.51 119.16 2nm2 n ALA 18 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 2nm2 n ALA 18 Cb 0.00 -1.32 0.12 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.95 2.73 -0.22 0.00 2.96 -1.26 -5.03 118.68 114.91 2nm2 s LEU 19 Ca 0.14 0.35 -0.04 0.00 -0.22 0.00 0.00 54.13 54.37 2nm2 s LEU 19 Cb 0.19 -2.71 -0.19 0.00 0.50 0.00 0.00 46.19 43.98 2nm2 s LEU 19 CO 0.59 -2.11 -0.05 -1.54 -1.32 0.00 0.00 176.35 171.92 2nm2 n SER 20 N -3.30 2.01 0.00 3.68 3.41 -1.26 -3.91 113.62 114.26 2nm2 n SER 20 Ca 0.12 0.05 -0.01 0.00 -0.26 0.00 0.00 58.87 58.76 2nm2 n SER 20 Cb 0.60 -0.62 0.27 0.00 -0.26 0.00 0.00 64.21 64.20 2nm2 n SER 20 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nm2 h ALA 21 N -0.13 1.28 0.88 7.33 0.00 -1.98 -2.94 119.26 123.70 2nm2 h ALA 21 Ca -0.54 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.08 2nm2 h ALA 21 Cb 1.87 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.53 2nm2 h ALA 21 CO -0.09 0.48 -0.42 0.93 0.00 0.00 0.00 179.25 180.15 2nm2 h GLU 22 N 0.48 -1.13 0.00 0.00 5.08 -1.92 0.14 114.58 117.23 2nm2 h GLU 22 Ca 0.09 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2nm2 h GLU 22 Cb 0.44 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2nm2 h GLU 22 CO 0.02 -0.75 0.00 0.09 -1.00 0.00 0.00 179.01 177.37 2nm2 n ASN 23 N -5.58 0.00 -0.04 1.42 3.02 -1.13 0.11 115.26 113.06 2nm2 n ASN 23 Ca -0.15 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.32 2nm2 n ASN 23 Cb 0.47 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.61 2nm2 n ASN 23 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2nm2 n GLU 24 N -0.67 0.30 0.09 3.52 2.13 -0.63 -4.79 120.64 120.59 2nm2 n GLU 24 Ca 0.00 0.12 -0.15 0.00 0.66 0.00 0.00 57.16 57.79 2nm2 n GLU 24 Cb 0.00 -1.03 -0.14 0.00 0.27 0.00 0.00 31.44 30.54 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 -0.56 1.44 -1.45 6.31 2.04 0.68 -3.50 117.51 122.47 2nm2 h ILE 25 Ca -0.10 -3.04 0.12 0.00 1.00 0.00 0.00 64.86 62.85 2nm2 h ILE 25 Cb 0.75 2.89 -0.03 0.00 -0.74 0.00 0.00 36.82 39.69 2nm2 h ILE 25 CO -0.06 0.88 -0.16 0.61 0.00 0.00 0.00 178.15 179.42 2nm2 n GLY 26 N 1.54 -1.82 0.00 5.37 0.00 0.30 -4.94 105.19 105.65 2nm2 n GLY 26 Ca -0.09 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2nm2 n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nm2 n GLN 27 N -2.03 0.00 -1.72 1.61 10.64 0.75 -4.92 117.38 121.71 2nm2 n GLN 27 Ca 0.00 0.00 -0.41 0.00 -1.83 0.00 0.00 57.00 54.76 2nm2 n GLN 27 Cb 0.20 0.00 0.01 0.00 -0.86 0.00 0.00 30.24 29.59 2nm2 n GLN 27 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 2nm2 n ILE 28 N -0.06 2.35 -3.93 -0.39 2.08 -1.25 -1.23 119.36 116.92 2nm2 n ILE 28 Ca 0.00 -0.50 -0.30 0.00 0.56 0.00 0.00 62.75 62.51 2nm2 n ILE 28 Cb 0.00 -1.66 -0.15 0.00 -0.75 0.00 0.00 39.64 37.07 2nm2 n ILE 28 CO 0.00 0.00 0.00 -0.36 0.56 0.00 0.00 176.55 176.75 2nm2 s PHE 29 N -1.16 2.53 0.17 1.39 0.08 0.88 -4.69 117.98 117.18 2nm2 s PHE 29 Ca 0.58 -1.96 -0.30 0.00 0.12 0.00 0.00 56.93 55.37 2nm2 s PHE 29 Cb -0.51 -1.81 -0.07 0.00 -0.57 0.00 0.00 43.02 40.05 2nm2 s PHE 29 CO 0.60 -0.82 0.98 0.21 -0.10 0.00 0.00 175.22 176.09 2nm2 s LYS 30 N 1.34 4.73 -0.08 0.44 2.20 -0.66 -1.27 119.74 126.43 2nm2 s LYS 30 Ca -0.01 1.52 -0.03 0.00 -0.36 0.00 0.00 55.97 57.09 2nm2 s LYS 30 Cb -0.19 -3.33 0.04 0.00 -1.51 0.00 0.00 37.83 32.85 2nm2 s LYS 30 CO -0.09 0.28 0.10 0.08 -0.36 0.00 0.00 175.35 175.36 2nm2 s VAL 31 N -0.43 -0.16 -0.16 4.02 1.01 0.26 -0.29 120.40 124.65 2nm2 s VAL 31 Ca 0.45 0.29 -0.05 0.00 0.00 0.00 0.00 61.98 62.68 2nm2 s VAL 31 Cb -0.25 -0.28 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2nm2 s VAL 31 CO 0.32 0.08 0.00 -1.81 0.00 0.00 0.00 175.10 173.69 2nm2 s ASP 32 N 2.21 5.14 -0.11 3.32 1.11 0.58 -2.59 116.67 126.34 2nm2 s ASP 32 Ca 0.04 -0.02 -0.02 0.00 0.18 0.00 0.00 52.55 52.72 2nm2 s ASP 32 Cb -0.13 -1.82 0.04 0.00 1.07 0.00 0.00 42.92 42.08 2nm2 s ASP 32 CO -0.05 0.19 0.03 -0.69 1.18 0.00 0.00 175.17 175.83 2nm2 s VAL 33 N 0.24 0.30 -0.12 -1.27 1.01 -0.23 -0.33 120.40 119.99 2nm2 s VAL 33 Ca 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.95 2nm2 s VAL 33 Cb -0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.63 2nm2 s VAL 33 CO 0.02 0.08 -0.11 -0.89 0.00 0.00 0.00 175.10 174.20 2nm2 s THR 34 N 1.99 3.28 -0.22 3.92 2.01 -1.16 -1.10 115.64 124.36 2nm2 s THR 34 Ca 0.03 -0.59 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 2nm2 s THR 34 Cb -0.14 -2.38 0.00 0.00 0.01 0.00 0.00 72.50 69.99 2nm2 s THR 34 CO -0.06 0.53 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.58 2nm2 s LEU 35 N 0.15 2.87 -0.76 4.42 1.43 0.13 -2.65 118.68 124.27 2nm2 s LEU 35 Ca -0.05 -0.51 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 2nm2 s LEU 35 Cb -0.15 -1.70 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2nm2 s LEU 35 CO 0.04 -0.04 1.99 -0.75 0.23 0.00 0.00 176.35 177.82 2nm2 s LYS 36 N 1.43 2.46 0.07 1.70 2.36 0.25 -1.82 119.74 126.21 2nm2 s LYS 36 Ca 0.05 0.22 0.05 0.00 -2.55 0.00 0.00 55.97 53.74 2nm2 s LYS 36 Cb -0.14 -4.76 -0.03 0.00 -1.05 0.00 0.00 37.83 31.84 2nm2 s LYS 36 CO -0.05 -3.23 -0.14 0.08 1.55 0.00 0.00 175.35 173.56 2nm2 s VAL 37 N 10.28 1.15 -0.31 4.02 1.01 -1.24 -0.30 120.40 135.02 2nm2 s VAL 37 Ca 0.73 -1.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.23 2nm2 s VAL 37 Cb -0.10 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 35.14 2nm2 s VAL 37 CO 0.10 -0.23 0.34 -0.62 0.00 0.00 0.00 175.10 174.68 2nm2 s ASP 38 N -1.78 6.17 -0.41 3.32 2.15 -1.26 -3.97 116.67 120.89 2nm2 s ASP 38 Ca -0.01 -0.07 0.04 0.00 0.43 0.00 0.00 52.55 52.94 2nm2 s ASP 38 Cb -0.10 -2.19 0.63 0.00 -0.30 0.00 0.00 42.92 40.97 2nm2 s ASP 38 CO 0.02 -0.25 1.85 0.18 -0.17 0.00 0.00 175.17 176.80 2nm2 n LEU 39 N 5.31 6.45 0.08 -1.34 4.77 -1.26 -4.33 117.00 126.68 2nm2 n LEU 39 Ca -0.10 -3.43 -0.17 0.00 -0.03 0.00 0.00 56.01 52.28 2nm2 n LEU 39 Cb 0.50 -0.81 -0.09 0.00 -2.33 0.00 0.00 43.42 40.69 2nm2 n LEU 39 CO 0.38 0.99 0.07 0.28 -1.33 0.00 0.00 177.39 177.79 2nm2 h SER 40 N 1.08 0.66 0.12 -1.43 0.02 -1.92 0.14 113.55 112.22 2nm2 h SER 40 Ca 0.57 -0.57 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 2nm2 h SER 40 Cb 2.71 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 65.05 2nm2 h SER 40 CO 1.01 1.39 -0.06 -0.08 -1.14 0.00 0.00 176.83 177.95 2nm2 h GLU 41 N 0.24 -0.16 -0.67 3.45 4.57 -1.87 -0.47 114.58 119.68 2nm2 h GLU 41 Ca -0.12 0.01 0.13 0.00 -1.18 0.00 0.00 59.36 58.20 2nm2 h GLU 41 Cb 1.74 0.04 -0.13 0.00 -0.16 0.00 0.00 28.75 30.24 2nm2 h GLU 41 CO 0.19 0.21 -0.15 0.00 -1.18 0.00 0.00 179.01 178.09 2nm2 h ALA 42 N -0.58 0.47 -0.60 2.92 0.00 -1.66 0.35 119.26 120.15 2nm2 h ALA 42 Ca -0.02 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 2nm2 h ALA 42 Cb 0.44 0.49 -0.03 0.00 0.00 0.00 0.00 17.79 18.69 2nm2 h ALA 42 CO 0.03 -0.42 0.29 0.78 0.00 0.00 0.00 179.25 179.93 2nm2 h GLY 43 N 0.01 0.90 0.66 0.00 0.00 -0.72 0.29 103.07 104.21 2nm2 h GLY 43 Ca 0.32 -0.42 -0.08 0.00 0.00 0.00 0.00 47.33 47.15 2nm2 h GLY 43 CO -0.67 0.40 -0.27 -0.09 0.00 0.00 0.00 176.54 175.91 2nm2 h ARG 44 N 0.84 0.31 0.02 4.80 2.43 0.12 -3.38 114.38 119.51 2nm2 h ARG 44 Ca 0.21 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2nm2 h ARG 44 Cb 0.09 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2nm2 h ARG 44 CO -0.03 0.87 -0.01 1.79 -1.51 0.00 0.00 179.97 181.08 2nm2 h THR 45 N -0.19 0.00 -0.00 0.20 1.35 -0.41 -3.49 112.91 110.36 2nm2 h THR 45 Ca -0.01 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.94 2nm2 h THR 45 Cb 0.90 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.32 2nm2 h THR 45 CO 0.06 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.66 2nm2 n ASP 46 N -4.59 -0.07 -4.25 5.36 2.03 0.10 -5.08 116.55 110.05 2nm2 n ASP 46 Ca -0.00 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.04 2nm2 n ASP 46 Cb 0.01 -0.03 -0.15 0.00 -0.72 0.00 0.00 41.12 40.23 2nm2 n ASP 46 CO 0.00 0.00 0.00 0.20 -1.92 0.00 0.00 177.20 175.48 2nm2 s ASN 47 N -2.06 2.53 0.25 1.67 0.02 -1.26 -5.04 114.94 111.04 2nm2 s ASN 47 Ca 0.00 -0.46 -0.04 0.00 -1.02 0.00 0.00 52.86 51.34 2nm2 s ASN 47 Cb 0.00 -0.24 0.45 0.00 0.02 0.00 0.00 41.25 41.48 2nm2 s ASN 47 CO 0.00 0.21 1.75 0.58 0.02 0.00 0.00 177.10 179.66 2nm2 h VAL 48 N 4.47 0.71 0.00 1.60 2.07 -1.94 -0.78 116.25 122.37 2nm2 h VAL 48 Ca -0.41 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 66.93 2nm2 h VAL 48 Cb 1.15 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.07 2nm2 h VAL 48 CO 0.46 0.10 0.23 0.00 0.02 0.00 0.00 177.57 178.37 2nm2 n ILE 49 N -4.94 0.74 0.28 4.57 0.13 -1.26 0.67 119.36 119.56 2nm2 n ILE 49 Ca 0.14 0.41 0.09 0.00 -1.10 0.00 0.00 62.75 62.29 2nm2 n ILE 49 Cb 0.39 -1.41 0.15 0.00 -0.84 0.00 0.00 39.64 37.92 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 -1.14 2.90 -0.65 9.51 9.92 -0.30 -5.03 116.55 131.76 2nm2 n ASP 50 Ca 0.00 -1.85 0.00 0.00 -0.53 0.00 0.00 54.79 52.41 2nm2 n ASP 50 Cb 0.23 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.55 2nm2 n ASP 50 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 2nm2 n THR 51 N 1.03 0.00 -4.10 -3.53 5.66 0.21 -3.62 114.28 109.93 2nm2 n THR 51 Ca 0.14 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.79 2nm2 n THR 51 Cb 0.48 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.14 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 -2.99 4.07 -0.05 1.08 1.01 -1.26 -4.95 120.40 117.30 2nm2 s VAL 52 Ca 0.00 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.41 2nm2 s VAL 52 Cb 0.00 -2.83 -0.06 0.00 0.00 0.00 0.00 36.38 33.49 2nm2 s VAL 52 CO 0.00 0.44 1.71 -2.28 0.00 0.00 0.00 175.10 174.96 2nm2 s HIS 53 N 0.86 1.87 -1.11 5.22 2.46 -1.26 -4.84 115.29 118.49 2nm2 s HIS 53 Ca 0.01 0.12 0.13 0.00 0.47 0.00 0.00 55.06 55.79 2nm2 s HIS 53 Cb -0.14 -3.97 0.58 0.00 -0.13 0.00 0.00 32.58 28.92 2nm2 s HIS 53 CO 0.02 -4.05 1.39 2.48 -2.47 0.00 0.00 174.74 172.11 2nm2 n TYR 54 N 7.34 0.00 0.15 3.88 0.18 -1.26 -2.36 117.16 125.09 2nm2 n TYR 54 Ca 0.18 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.71 2nm2 n TYR 54 Cb 0.43 -0.45 -0.16 0.00 -0.38 0.00 0.00 39.34 38.78 2nm2 n TYR 54 CO 0.00 0.00 0.00 0.78 -2.08 0.00 0.00 176.86 175.56 2nm2 h GLY 55 N 2.21 0.62 0.88 -7.48 0.00 -1.99 -2.36 103.07 94.95 2nm2 h GLY 55 Ca 0.00 -1.59 -0.04 0.00 0.00 0.00 0.00 47.33 45.69 2nm2 h GLY 55 CO 0.00 1.39 0.02 0.83 0.00 0.00 0.00 176.54 178.78 2nm2 h GLU 56 N 0.15 0.52 -0.43 4.80 5.08 -1.86 -2.21 114.58 120.62 2nm2 h GLU 56 Ca -0.26 -0.16 0.01 0.00 -1.00 0.00 0.00 59.36 57.96 2nm2 h GLU 56 Cb 2.18 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 31.35 2nm2 h GLU 56 CO 0.28 0.65 0.29 0.28 -1.00 0.00 0.00 179.01 179.50 2nm2 h VAL 57 N 0.32 1.09 0.50 3.13 2.07 -1.59 -1.37 116.25 120.41 2nm2 h VAL 57 Ca 0.09 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2nm2 h VAL 57 Cb 0.40 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2nm2 h VAL 57 CO 0.01 0.10 -0.24 0.15 0.02 0.00 0.00 177.57 177.61 2nm2 h PHE 58 N 0.56 -0.62 -0.72 1.57 3.57 -0.91 -1.89 116.94 118.50 2nm2 h PHE 58 Ca 0.16 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 2nm2 h PHE 58 Cb -0.02 0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 2nm2 h PHE 58 CO -0.00 -0.35 0.41 0.93 -2.23 0.00 0.00 178.31 177.06 2nm2 h GLU 59 N -0.74 0.71 -0.76 1.11 4.39 -0.82 0.35 114.58 118.83 2nm2 h GLU 59 Ca -0.07 -0.04 0.02 0.00 0.34 0.00 0.00 59.36 59.61 2nm2 h GLU 59 Cb 0.55 -0.16 -0.04 0.00 -0.10 0.00 0.00 28.75 28.99 2nm2 h GLU 59 CO 0.11 0.47 0.49 0.93 -1.16 0.00 0.00 179.01 179.86 2nm2 h GLU 60 N 0.74 0.96 -0.83 2.33 4.39 -1.20 0.86 114.58 121.83 2nm2 h GLU 60 Ca 0.33 -0.06 -0.03 0.00 0.34 0.00 0.00 59.36 59.94 2nm2 h GLU 60 Cb 0.22 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 2nm2 h GLU 60 CO -0.19 0.63 0.41 0.28 -1.16 0.00 0.00 179.01 178.98 2nm2 h VAL 61 N 0.99 1.25 -0.59 3.13 2.07 -0.36 -2.77 116.25 119.97 2nm2 h VAL 61 Ca 0.29 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 67.09 2nm2 h VAL 61 Cb -0.06 0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 29.87 2nm2 h VAL 61 CO -0.08 0.30 0.27 0.50 0.02 0.00 0.00 177.57 178.57 2nm2 h LYS 62 N 1.17 0.86 -0.02 1.57 3.64 0.20 -2.18 116.57 121.81 2nm2 h LYS 62 Ca 0.29 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2nm2 h LYS 62 Cb 0.10 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.73 2nm2 h LYS 62 CO -0.04 0.71 -0.19 0.77 -2.27 0.00 0.00 179.45 178.43 2nm2 h SER 63 N 0.81 -0.56 -0.36 4.20 0.02 0.90 -2.75 113.55 115.81 2nm2 h SER 63 Ca 0.20 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.14 2nm2 h SER 63 Cb 0.15 0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2nm2 h SER 63 CO -0.02 -0.25 -0.08 0.40 -1.14 0.00 0.00 176.83 175.73 2nm2 h ILE 64 N -0.30 1.25 -0.47 3.27 2.04 -1.46 -1.63 117.51 120.22 2nm2 h ILE 64 Ca 0.06 -1.14 -0.13 0.00 1.00 0.00 0.00 64.86 64.66 2nm2 h ILE 64 Cb 0.38 1.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2nm2 h ILE 64 CO -0.19 0.39 -0.21 0.24 0.00 0.00 0.00 178.15 178.39 2nm2 h MET 65 N 0.72 0.94 -0.31 2.37 2.86 -1.24 -3.05 114.93 117.23 2nm2 h MET 65 Ca 0.13 -0.39 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 2nm2 h MET 65 Cb 0.56 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.18 2nm2 h MET 65 CO 0.03 1.06 0.00 0.39 1.06 0.00 0.00 176.91 179.45 2nm2 n GLU 66 N -4.11 2.22 0.00 1.72 1.02 -1.05 -4.61 120.64 115.83 2nm2 n GLU 66 Ca 0.00 -2.04 0.00 0.00 -0.02 0.00 0.00 57.16 55.10 2nm2 n GLU 66 Cb 0.45 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.45 2nm2 n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2nm2 n GLY 67 N 1.15 -2.23 3.72 0.62 0.00 -0.61 -4.92 105.19 102.91 2nm2 n GLY 67 Ca 0.15 -1.19 -0.33 0.00 0.00 0.00 0.00 46.02 44.65 2nm2 n GLY 67 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nm2 s LYS 68 N 0.00 1.97 0.45 1.61 -2.85 -1.26 -4.95 119.74 114.71 2nm2 s LYS 68 Ca 0.00 1.67 -0.23 0.00 -1.00 0.00 0.00 55.97 56.41 2nm2 s LYS 68 Cb 0.00 -1.82 -0.08 0.00 -2.06 0.00 0.00 37.83 33.87 2nm2 s LYS 68 CO 0.00 -1.94 1.14 0.00 0.10 0.00 0.00 175.35 174.64 2nm2 s ALA 69 N -2.18 2.99 0.32 0.59 0.00 -1.26 -4.97 121.76 117.25 2nm2 s ALA 69 Ca 0.72 0.88 0.01 0.00 0.00 0.00 0.00 51.96 53.56 2nm2 s ALA 69 Cb -0.27 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.49 2nm2 s ALA 69 CO 0.48 -0.56 0.03 1.33 0.00 0.00 0.00 175.76 177.05 2nm2 n VAL 70 N -0.43 0.00 -0.08 0.00 0.24 -1.26 -5.00 118.33 111.81 2nm2 n VAL 70 Ca 0.07 -1.60 -0.12 0.00 -2.04 0.00 0.00 64.34 60.65 2nm2 n VAL 70 Cb 0.48 0.41 -0.04 0.00 -1.47 0.00 0.00 33.84 33.22 2nm2 n VAL 70 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2nm2 n ASN 71 N -1.38 1.79 -5.00 -1.34 3.02 -1.26 -1.61 115.26 109.49 2nm2 n ASN 71 Ca -0.11 0.30 -0.19 0.00 -0.03 0.00 0.00 54.58 54.56 2nm2 n ASN 71 Cb 0.42 -0.69 0.03 0.00 -0.61 0.00 0.00 39.78 38.94 2nm2 n ASN 71 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2nm2 s LEU 72 N -7.67 3.41 0.30 3.41 1.43 -1.26 -2.78 118.68 115.52 2nm2 s LEU 72 Ca -0.27 -0.51 0.22 0.00 -1.03 0.00 0.00 54.13 52.54 2nm2 s LEU 72 Cb 0.06 -2.32 0.14 0.00 0.03 0.00 0.00 46.19 44.10 2nm2 s LEU 72 CO 0.38 -1.04 1.30 -0.07 0.23 0.00 0.00 176.35 177.15 2nm2 h LEU 73 N 0.37 0.00 -1.16 1.79 3.38 -1.97 -3.14 115.31 114.59 2nm2 h LEU 73 Ca -0.37 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2nm2 h LEU 73 Cb 1.28 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.00 2nm2 h LEU 73 CO 0.44 0.06 0.30 -0.33 0.09 0.00 0.00 178.44 179.01 2nm2 h GLU 74 N 0.00 0.89 0.62 1.13 3.07 -1.98 0.06 114.58 118.37 2nm2 h GLU 74 Ca -0.01 -0.11 -0.03 0.00 -0.50 0.00 0.00 59.36 58.71 2nm2 h GLU 74 Cb 1.05 -0.17 0.01 0.00 -0.84 0.00 0.00 28.75 28.80 2nm2 h GLU 74 CO 0.01 0.69 -0.30 1.25 -1.40 0.00 0.00 179.01 179.25 2nm2 h HIS 75 N 0.89 -0.77 -0.99 4.33 2.76 -1.95 0.63 115.15 120.04 2nm2 h HIS 75 Ca 0.22 -0.02 0.21 0.00 -2.20 0.00 0.00 60.37 58.58 2nm2 h HIS 75 Cb 0.09 0.26 -0.10 0.00 1.55 0.00 0.00 27.41 29.21 2nm2 h HIS 75 CO 0.01 -0.48 0.62 -0.07 -1.30 0.00 0.00 177.93 176.71 2nm2 h LEU 76 N -0.92 0.64 0.14 0.26 3.38 -1.57 -0.59 115.31 116.66 2nm2 h LEU 76 Ca -0.09 0.09 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 2nm2 h LEU 76 Cb 0.64 -0.03 0.03 0.00 0.09 0.00 0.00 40.66 41.39 2nm2 h LEU 76 CO 0.14 0.21 -1.30 0.00 0.09 0.00 0.00 178.44 177.58 2nm2 h ALA 77 N 1.64 -0.02 0.00 1.53 0.00 -0.92 -2.42 119.26 119.07 2nm2 h ALA 77 Ca 0.57 -0.81 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 2nm2 h ALA 77 Cb 1.09 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2nm2 h ALA 77 CO -0.33 0.73 -0.27 1.49 0.00 0.00 0.00 179.25 180.87 2nm2 h GLU 78 N 0.21 0.00 0.00 0.00 4.57 -0.31 0.16 114.58 119.21 2nm2 h GLU 78 Ca -0.20 0.00 -0.22 0.00 -1.18 0.00 0.00 59.36 57.77 2nm2 h GLU 78 Cb 1.98 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.54 2nm2 h GLU 78 CO 0.24 0.27 -1.11 0.00 -1.18 0.00 0.00 179.01 177.24 2nm2 h ARG 79 N 0.00 0.00 0.06 1.92 3.08 -1.14 -2.53 114.38 115.77 2nm2 h ARG 79 Ca -0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 2nm2 h ARG 79 Cb 0.63 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.69 2nm2 h ARG 79 CO 0.04 0.87 -0.73 0.82 -1.07 0.00 0.00 179.97 179.89 2nm2 h ILE 80 N 0.00 1.44 -0.74 2.04 2.04 -1.03 -2.49 117.51 118.77 2nm2 h ILE 80 Ca -0.06 -2.26 0.06 0.00 1.00 0.00 0.00 64.86 63.59 2nm2 h ILE 80 Cb 1.79 2.80 -0.06 0.00 -0.74 0.00 0.00 36.82 40.61 2nm2 h ILE 80 CO 0.12 0.66 0.44 0.00 0.00 0.00 0.00 178.15 179.36 2nm2 h ALA 81 N 0.24 1.00 -0.00 1.87 0.00 -0.77 0.99 119.26 122.59 2nm2 h ALA 81 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2nm2 h ALA 81 Cb 1.48 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2nm2 h ALA 81 CO 0.14 0.15 -0.14 0.09 0.00 0.00 0.00 179.25 179.49 2nm2 n ASN 82 N -4.71 0.37 0.01 0.00 4.13 -0.95 -1.09 115.26 113.01 2nm2 n ASN 82 Ca 0.10 -0.31 -0.04 0.00 1.68 0.00 0.00 54.58 56.01 2nm2 n ASN 82 Cb 0.17 -0.12 -0.11 0.00 -1.54 0.00 0.00 39.78 38.18 2nm2 n ASN 82 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2nm2 n ARG 83 N -1.15 0.63 0.02 3.52 3.00 -0.55 -3.22 116.66 118.91 2nm2 n ARG 83 Ca 0.12 0.24 -0.21 0.00 -0.00 0.00 0.00 57.85 58.00 2nm2 n ARG 83 Cb 0.29 -1.79 -0.14 0.00 0.00 0.00 0.00 32.46 30.82 2nm2 n ARG 83 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.63 178.45 2nm2 h ILE 84 N 0.00 1.08 0.00 5.15 1.08 -0.73 -3.22 117.51 120.87 2nm2 h ILE 84 Ca -0.22 -2.43 0.00 0.00 -0.39 0.00 0.00 64.86 61.82 2nm2 h ILE 84 Cb 1.77 2.78 0.00 0.00 -3.07 0.00 0.00 36.82 38.30 2nm2 h ILE 84 CO 0.06 0.72 0.00 0.59 -0.69 0.00 0.00 178.15 178.83 2nm2 n ASN 85 N -3.91 0.64 -0.85 1.72 5.03 -0.25 -2.38 115.26 115.26 2nm2 n ASN 85 Ca -0.24 0.56 0.09 0.00 0.87 0.00 0.00 54.58 55.87 2nm2 n ASN 85 Cb 0.91 -0.73 0.13 0.00 -1.02 0.00 0.00 39.78 39.07 2nm2 n ASN 85 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 2nm2 n SER 86 N -2.10 2.85 -0.01 6.41 3.41 -1.20 -4.30 113.62 118.69 2nm2 n SER 86 Ca 0.06 -1.85 0.01 0.00 -0.26 0.00 0.00 58.87 56.83 2nm2 n SER 86 Cb 0.40 -0.11 -0.05 0.00 -0.26 0.00 0.00 64.21 64.19 2nm2 n SER 86 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2nm2 n GLN 87 N 1.11 1.08 -3.68 4.33 1.13 -1.19 -4.96 117.38 115.20 2nm2 n GLN 87 Ca 0.13 -0.04 -0.24 0.00 -1.94 0.00 0.00 57.00 54.92 2nm2 n GLN 87 Cb 0.49 -1.15 -0.17 0.00 0.11 0.00 0.00 30.24 29.52 2nm2 n GLN 87 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2nm2 s TYR 88 N -2.35 0.37 -2.09 1.08 2.02 -1.00 -4.96 117.35 110.43 2nm2 s TYR 88 Ca -0.02 -0.17 0.19 0.00 -0.37 0.00 0.00 57.07 56.70 2nm2 s TYR 88 Cb 0.03 -0.69 0.96 0.00 -0.40 0.00 0.00 41.96 41.86 2nm2 s TYR 88 CO 0.25 -0.38 1.64 -1.71 -1.57 0.00 0.00 175.55 173.79 2nm2 n ASN 89 N 5.22 0.56 0.12 2.29 2.85 -1.26 -2.64 115.26 122.39 2nm2 n ASN 89 Ca -0.06 -1.53 0.09 0.00 -0.11 0.00 0.00 54.58 52.97 2nm2 n ASN 89 Cb 0.49 -0.04 0.02 0.00 1.24 0.00 0.00 39.78 41.49 2nm2 n ASN 89 CO 0.00 0.00 0.00 0.03 -2.11 0.00 0.00 177.26 175.18 2nm2 h ARG 90 N 0.74 0.00 -4.73 1.20 3.08 -1.94 -3.43 114.38 109.30 2nm2 h ARG 90 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.98 59.35 2nm2 h ARG 90 Cb 0.16 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.02 2nm2 h ARG 90 CO 0.00 0.08 0.07 0.08 -1.07 0.00 0.00 179.97 179.13 2nm2 s VAL 91 N -3.23 4.86 0.06 2.04 1.01 -1.08 -4.46 120.40 119.60 2nm2 s VAL 91 Ca 0.01 -0.88 -0.31 0.00 0.00 0.00 0.00 61.98 60.80 2nm2 s VAL 91 Cb 0.08 -4.42 -0.18 0.00 0.00 0.00 0.00 36.38 31.86 2nm2 s VAL 91 CO 0.77 -1.01 1.59 0.24 0.00 0.00 0.00 175.10 176.69 2nm2 h MET 92 N 9.11 -0.76 -5.91 2.72 2.86 -0.93 -3.42 114.93 118.60 2nm2 h MET 92 Ca -0.29 0.05 -0.56 0.00 -2.06 0.00 0.00 59.70 56.85 2nm2 h MET 92 Cb 1.09 0.17 -0.26 0.00 0.06 0.00 0.00 31.60 32.66 2nm2 h MET 92 CO 1.05 -0.49 -0.83 -2.00 1.06 0.00 0.00 176.91 175.70 2nm2 s GLU 93 N -5.90 1.34 -0.25 1.72 2.12 -1.23 0.26 118.70 116.75 2nm2 s GLU 93 Ca -0.17 -0.86 -0.03 0.00 0.36 0.00 0.00 54.97 54.28 2nm2 s GLU 93 Cb 0.03 -1.41 0.08 0.00 0.26 0.00 0.00 34.13 33.10 2nm2 s GLU 93 CO 0.61 0.36 0.08 0.99 -0.54 0.00 0.00 175.26 176.76 2nm2 s THR 94 N -0.74 0.46 -0.14 -1.70 2.01 0.34 0.88 115.64 116.75 2nm2 s THR 94 Ca 0.06 -0.85 -0.09 0.00 0.31 0.00 0.00 61.69 61.13 2nm2 s THR 94 Cb -0.08 -1.19 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 2nm2 s THR 94 CO 0.01 -0.48 0.17 -1.59 -0.69 0.00 0.00 174.62 172.04 2nm2 s LYS 95 N 1.86 3.75 -0.10 4.92 -2.85 -1.08 -2.02 119.74 124.21 2nm2 s LYS 95 Ca 0.05 -0.09 0.02 0.00 -1.00 0.00 0.00 55.97 54.95 2nm2 s LYS 95 Cb -0.17 -3.28 0.01 0.00 -2.06 0.00 0.00 37.83 32.34 2nm2 s LYS 95 CO -0.20 0.60 -0.17 0.08 0.10 0.00 0.00 175.35 175.75 2nm2 s VAL 96 N -0.53 1.61 -0.13 1.79 1.01 0.01 -2.96 120.40 121.21 2nm2 s VAL 96 Ca 0.14 -0.73 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 2nm2 s VAL 96 Cb -0.12 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 2nm2 s VAL 96 CO 0.03 0.46 -0.11 -0.60 0.00 0.00 0.00 175.10 174.88 2nm2 s ARG 97 N 0.81 3.37 -0.08 2.72 3.52 0.55 -0.26 118.95 129.58 2nm2 s ARG 97 Ca -0.10 -0.65 -0.01 0.00 -0.13 0.00 0.00 55.73 54.84 2nm2 s ARG 97 Cb -0.16 -2.67 0.03 0.00 -1.56 0.00 0.00 34.95 30.59 2nm2 s ARG 97 CO 0.01 0.26 -0.02 0.42 -0.81 0.00 0.00 175.30 175.16 2nm2 s ILE 98 N 0.25 0.54 0.12 4.11 1.01 -0.97 -0.30 121.20 125.97 2nm2 s ILE 98 Ca -0.08 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.64 2nm2 s ILE 98 Cb -0.15 -0.66 -0.04 0.00 0.01 0.00 0.00 42.46 41.62 2nm2 s ILE 98 CO 0.05 0.29 0.03 -0.89 0.00 0.00 0.00 174.94 174.42 2nm2 s THR 99 N 1.89 4.10 -0.33 2.92 2.01 0.60 -2.18 115.64 124.65 2nm2 s THR 99 Ca 0.05 -1.07 -0.02 0.00 0.31 0.00 0.00 61.69 60.96 2nm2 s THR 99 Cb -0.12 -3.01 0.12 0.00 0.01 0.00 0.00 72.50 69.50 2nm2 s THR 99 CO -0.06 0.03 0.16 -0.75 -0.69 0.00 0.00 174.62 173.31 2nm2 s LYS 100 N -2.61 0.48 -0.05 4.92 2.20 0.21 -1.66 119.74 123.23 2nm2 s LYS 100 Ca 0.27 -1.01 0.07 0.00 -0.36 0.00 0.00 55.97 54.95 2nm2 s LYS 100 Cb -0.11 -1.42 0.27 0.00 -1.51 0.00 0.00 37.83 35.06 2nm2 s LYS 100 CO 0.20 -1.09 1.07 0.39 -0.36 0.00 0.00 175.35 175.55 2nm2 n GLU 101 N 4.63 2.04 -0.70 4.03 1.02 -1.26 -1.91 120.64 128.49 2nm2 n GLU 101 Ca 0.02 -1.06 0.04 0.00 -0.02 0.00 0.00 57.16 56.14 2nm2 n GLU 101 Cb 0.40 -1.51 0.07 0.00 -0.02 0.00 0.00 31.44 30.38 2nm2 n GLU 101 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 2nm2 n ASN 102 N 0.26 1.08 -4.63 1.62 6.94 -1.26 -4.70 115.26 114.56 2nm2 n ASN 102 Ca 0.10 -2.57 -0.29 0.00 -0.02 0.00 0.00 54.58 51.80 2nm2 n ASN 102 Cb 0.42 -0.33 0.19 0.00 -2.36 0.00 0.00 39.78 37.70 2nm2 n ASN 102 CO 0.00 0.00 0.00 -2.16 -1.03 0.00 0.00 177.26 174.07 2nm2 s PRO 103 N -1.19 0.15 -0.22 -0.53 0.04 -1.25 -4.87 135.00 127.13 2nm2 s PRO 103 Ca 0.23 0.70 -0.04 0.00 0.04 0.00 0.00 61.00 61.92 2nm2 s PRO 103 Cb 0.23 -1.69 -0.07 0.00 0.04 0.00 0.00 34.50 33.02 2nm2 s PRO 103 CO -0.05 -2.97 3.01 -0.35 0.04 0.00 0.00 177.00 176.68 2nm2 n PRO 104 N -4.37 2.09 -3.67 0.56 -0.04 -1.26 -4.80 135.00 123.52 2nm2 n PRO 104 Ca 0.05 -1.56 -0.38 0.00 -0.04 0.00 0.00 63.50 61.56 2nm2 n PRO 104 Cb 0.56 -1.96 -0.10 0.00 -0.04 0.00 0.00 33.50 31.96 2nm2 n PRO 104 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2nm2 s ILE 105 N -0.76 3.78 -0.86 0.52 1.01 -1.26 -5.04 121.20 118.59 2nm2 s ILE 105 Ca 0.56 -2.09 -0.21 0.00 0.00 0.00 0.00 60.65 58.91 2nm2 s ILE 105 Cb 0.32 -3.52 -0.22 0.00 0.01 0.00 0.00 42.46 39.05 2nm2 s ILE 105 CO -0.10 -0.76 2.38 -2.65 0.00 0.00 0.00 174.94 173.81 2nm2 n PRO 106 N 4.55 0.31 -3.55 2.79 -0.02 -1.26 -4.71 135.00 133.11 2nm2 n PRO 106 Ca -0.03 -0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.22 2nm2 n PRO 106 Cb 0.41 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2nm2 n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2nm2 n GLY 107 N 6.14 -1.09 2.93 -1.23 0.00 -1.26 -5.12 105.19 105.56 2nm2 n GLY 107 Ca 0.57 -0.99 -0.28 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.00 1.74 0.11 1.61 3.76 -1.26 -5.10 115.29 113.15 2nm2 s HIS 108 Ca 0.00 -0.99 -0.24 0.00 -0.15 0.00 0.00 55.06 53.67 2nm2 s HIS 108 Cb 0.00 -1.35 0.07 0.00 1.11 0.00 0.00 32.58 32.40 2nm2 s HIS 108 CO 0.00 -0.59 0.60 1.52 -0.85 0.00 0.00 174.74 175.42 2nm2 s TYR 109 N 1.62 -0.54 -0.89 1.40 -0.85 -1.26 -5.02 117.35 111.81 2nm2 s TYR 109 Ca 0.03 0.47 0.04 0.00 -0.52 0.00 0.00 57.07 57.09 2nm2 s TYR 109 Cb -0.14 0.50 0.20 0.00 0.38 0.00 0.00 41.96 42.91 2nm2 s TYR 109 CO -0.09 -0.78 0.83 -0.25 -1.52 0.00 0.00 175.55 173.74 2nm2 n ASP 110 N -0.08 2.10 0.00 -0.18 8.00 -1.26 -4.95 116.55 120.17 2nm2 n ASP 110 Ca -0.17 -2.22 0.00 0.00 0.71 0.00 0.00 54.79 53.11 2nm2 n ASP 110 Cb 0.63 -0.52 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 2nm2 n ASP 110 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2nm2 n GLY 111 N 0.20 3.02 3.61 0.44 0.00 -1.26 -4.71 105.19 106.49 2nm2 n GLY 111 Ca 0.07 -1.76 -0.24 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.05 2.92 -2.40 1.61 -7.23 -0.81 -4.87 120.40 107.58 2nm2 s VAL 112 Ca 0.00 -2.01 0.00 0.00 -1.81 0.00 0.00 61.98 58.16 2nm2 s VAL 112 Cb 0.00 -2.73 0.00 0.00 0.56 0.00 0.00 36.38 34.21 2nm2 s VAL 112 CO 0.00 -0.30 0.00 0.61 -0.31 0.00 0.00 175.10 175.10 2nm2 n GLY 113 N -0.88 -0.93 3.40 2.32 0.00 -1.26 0.64 105.19 108.47 2nm2 n GLY 113 Ca -0.05 -0.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 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 -3.00 0.22 -0.30 -0.61 -5.25 -0.93 -5.02 121.20 106.32 2nm2 s ILE 114 Ca 0.00 -2.00 -0.03 0.00 -0.99 0.00 0.00 60.65 57.63 2nm2 s ILE 114 Cb 0.00 -2.40 0.19 0.00 2.95 0.00 0.00 42.46 43.20 2nm2 s ILE 114 CO 0.00 0.00 0.77 -0.70 -1.79 0.00 0.00 174.94 173.22 2nm2 s GLU 115 N -3.51 0.41 0.39 0.37 -6.30 -1.26 -2.28 118.70 106.52 2nm2 s GLU 115 Ca 0.32 0.57 0.01 0.00 -2.50 0.00 0.00 54.97 53.38 2nm2 s GLU 115 Cb 0.02 0.30 -0.02 0.00 0.00 0.00 0.00 34.13 34.43 2nm2 s GLU 115 CO 0.22 -0.61 0.59 0.96 0.02 0.00 0.00 175.26 176.45 2nm2 s ILE 116 N 2.89 4.50 -0.09 -3.70 -4.36 0.63 -4.90 121.20 116.17 2nm2 s ILE 116 Ca 0.14 -0.55 -0.03 0.00 -0.26 0.00 0.00 60.65 59.95 2nm2 s ILE 116 Cb -0.10 -3.64 0.05 0.00 1.25 0.00 0.00 42.46 40.01 2nm2 s ILE 116 CO -0.21 -0.41 0.10 -0.69 0.24 0.00 0.00 174.94 173.97 2nm2 s VAL 117 N -2.40 -0.16 -0.05 8.37 1.01 -1.26 -0.81 120.40 125.10 2nm2 s VAL 117 Ca 0.44 0.23 0.03 0.00 0.00 0.00 0.00 61.98 62.68 2nm2 s VAL 117 Cb -0.10 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.96 2nm2 s VAL 117 CO 0.36 0.03 -0.14 -0.13 0.00 0.00 0.00 175.10 175.22 2nm2 s ARG 118 N 2.20 1.65 0.30 2.72 1.81 -0.85 -4.96 118.95 121.83 2nm2 s ARG 118 Ca 0.04 -0.48 0.05 0.00 -1.72 0.00 0.00 55.73 53.61 2nm2 s ARG 118 Cb -0.13 -1.41 0.05 0.00 -0.45 0.00 0.00 34.95 33.01 2nm2 s ARG 118 CO -0.06 0.13 0.40 -0.85 -0.68 0.00 0.00 175.30 174.24 2nm2 n GLU 119 N 3.46 0.81 -4.38 3.54 0.28 -1.26 0.13 120.64 123.22 2nm2 n GLU 119 Ca -0.20 -1.64 -0.30 0.00 -0.16 0.00 0.00 57.16 54.87 2nm2 n GLU 119 Cb 0.53 -0.10 -0.12 0.00 1.43 0.00 0.00 31.44 33.17 2nm2 n GLU 119 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2nm2 s ASN 120 N -2.86 3.77 0.00 -1.84 0.01 0.14 -4.85 114.94 109.31 2nm2 s ASN 120 Ca 0.31 -0.57 0.00 0.00 -0.71 0.00 0.00 52.86 51.89 2nm2 s ASN 120 Cb -0.02 -0.50 0.00 0.00 0.41 0.00 0.00 41.25 41.13 2nm2 s ASN 120 CO 0.19 0.19 0.00 0.29 -1.51 0.00 0.00 177.10 176.27