#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j54 s GLN 8 N 0.00 3.22 -0.23 5.56 -0.21 -0.11 -1.75 119.66 126.14 1j54 s GLN 8 Ca 0.00 -0.78 0.01 0.00 0.02 0.00 0.00 55.36 54.61 1j54 s GLN 8 Cb 0.00 -2.47 0.04 0.00 1.00 0.00 0.00 33.01 31.58 1j54 s GLN 8 CO 0.00 0.20 -0.12 0.42 -2.12 0.00 0.00 175.29 173.67 1j54 s ILE 9 N 0.34 2.33 -0.24 1.08 -1.09 -0.32 -0.21 121.20 123.09 1j54 s ILE 9 Ca -0.15 -1.27 -0.21 0.00 -2.23 0.00 0.00 60.65 56.79 1j54 s ILE 9 Cb -0.17 -2.21 -0.02 0.00 -1.58 0.00 0.00 42.46 38.48 1j54 s ILE 9 CO 0.07 0.20 0.64 -0.69 -1.23 0.00 0.00 174.94 173.93 1j54 s VAL 10 N 1.22 4.99 0.09 2.92 1.01 -0.03 -0.83 120.40 129.77 1j54 s VAL 10 Ca -0.02 1.18 0.06 0.00 0.00 0.00 0.00 61.98 63.19 1j54 s VAL 10 Cb -0.17 -3.95 -0.03 0.00 0.00 0.00 0.00 36.38 32.23 1j54 s VAL 10 CO -0.07 0.05 -0.16 -0.22 0.00 0.00 0.00 175.10 174.69 1j54 s LEU 11 N 2.35 2.32 0.08 3.92 0.20 -0.50 -0.54 118.68 126.50 1j54 s LEU 11 Ca 0.27 -0.69 -0.11 0.00 0.69 0.00 0.00 54.13 54.29 1j54 s LEU 11 Cb -0.16 -0.64 0.01 0.00 -0.43 0.00 0.00 46.19 44.98 1j54 s LEU 11 CO 0.09 -0.05 0.26 -0.62 -0.29 0.00 0.00 176.35 175.74 1j54 s ASP 12 N -1.98 -0.02 0.04 3.68 2.15 -0.21 -4.51 116.67 115.82 1j54 s ASP 12 Ca 0.03 -0.43 -0.02 0.00 0.43 0.00 0.00 52.55 52.56 1j54 s ASP 12 Cb -0.09 0.36 -0.02 0.00 -0.30 0.00 0.00 42.92 42.87 1j54 s ASP 12 CO 0.03 -0.70 0.02 0.42 -0.17 0.00 0.00 175.17 174.77 1j54 s THR 13 N -3.31 0.16 0.11 1.71 -4.23 -1.26 -1.38 115.64 107.43 1j54 s THR 13 Ca 0.00 -1.30 0.09 0.00 -1.18 0.00 0.00 61.69 59.31 1j54 s THR 13 Cb 0.02 -0.95 -0.04 0.00 1.34 0.00 0.00 72.50 72.87 1j54 s THR 13 CO -0.08 -0.72 -0.20 -1.61 -0.54 0.00 0.00 174.62 171.47 1j54 s GLU 14 N -2.79 1.74 0.36 3.99 0.41 -0.48 -4.85 118.70 117.08 1j54 s GLU 14 Ca -0.03 -1.19 0.06 0.00 -0.41 0.00 0.00 54.97 53.40 1j54 s GLU 14 Cb -0.00 -2.08 -0.02 0.00 -1.78 0.00 0.00 34.13 30.25 1j54 s GLU 14 CO -0.06 0.48 0.21 0.25 -0.49 0.00 0.00 175.26 175.65 1j54 n THR 15 N 0.92 0.00 1.20 3.63 -2.24 -1.26 -0.83 114.28 115.70 1j54 n THR 15 Ca -0.16 -2.36 0.14 0.00 -2.27 0.00 0.00 64.05 59.40 1j54 n THR 15 Cb 0.53 1.01 0.68 0.00 -2.10 0.00 0.00 70.33 70.46 1j54 n THR 15 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1j54 n THR 16 N -0.76 0.00 -0.80 4.28 -2.24 -0.58 -4.80 114.28 109.39 1j54 n THR 16 Ca 0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1j54 n THR 16 Cb 0.60 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 1j54 n THR 16 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1j54 n GLY 17 N 1.39 0.43 3.54 3.38 0.00 -1.26 -0.62 105.19 112.04 1j54 n GLY 17 Ca 0.10 -1.51 -0.09 0.00 0.00 0.00 0.00 46.02 44.53 1j54 n GLY 17 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1j54 s MET 18 N -2.00 1.04 -0.08 1.61 0.23 -1.26 -4.87 119.30 113.97 1j54 s MET 18 Ca 0.00 -0.43 -0.04 0.00 -1.03 0.00 0.00 55.69 54.19 1j54 s MET 18 Cb 0.00 0.45 -0.04 0.00 -1.53 0.00 0.00 34.83 33.71 1j54 s MET 18 CO 0.00 -0.46 0.08 -0.80 -2.03 0.00 0.00 175.02 171.81 1j54 s ASN 19 N -2.64 5.87 0.17 -1.18 0.01 -0.24 -5.00 114.94 111.93 1j54 s ASN 19 Ca 0.05 0.30 0.24 0.00 -0.71 0.00 0.00 52.86 52.74 1j54 s ASN 19 Cb -0.01 -1.79 0.41 0.00 0.41 0.00 0.00 41.25 40.27 1j54 s ASN 19 CO -0.08 0.37 1.41 1.56 -1.51 0.00 0.00 177.10 178.85 1j54 h GLN 20 N 4.84 0.00 -5.56 -0.60 4.20 -1.92 -3.40 115.11 112.67 1j54 h GLN 20 Ca -0.52 0.00 -0.53 0.00 0.06 0.00 0.00 58.65 57.66 1j54 h GLN 20 Cb 1.21 0.00 -0.29 0.00 0.30 0.00 0.00 27.48 28.69 1j54 h GLN 20 CO 0.58 0.00 -0.83 0.42 -0.67 0.00 0.00 178.83 178.33 1j54 s ILE 21 N -3.18 1.31 0.00 2.54 1.01 -1.26 -5.06 121.20 116.56 1j54 s ILE 21 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1j54 s ILE 21 Cb 0.12 -1.09 0.00 0.00 0.01 0.00 0.00 42.46 41.50 1j54 s ILE 21 CO 0.70 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.62 1j54 n GLY 22 N 2.69 -0.95 3.66 6.18 0.00 -1.26 -4.70 105.19 110.81 1j54 n GLY 22 Ca -0.15 -1.18 -0.44 0.00 0.00 0.00 0.00 46.02 44.25 1j54 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j54 n ALA 23 N 1.46 1.35 0.30 4.61 0.00 -1.26 -4.85 120.51 122.11 1j54 n ALA 23 Ca 0.00 0.21 0.17 0.00 0.00 0.00 0.00 53.44 53.82 1j54 n ALA 23 Cb 0.00 -2.63 0.97 0.00 0.00 0.00 0.00 19.45 17.79 1j54 n ALA 23 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1j54 h HIS 24 N 10.39 0.00 0.00 0.00 2.07 -1.84 -2.91 115.15 122.85 1j54 h HIS 24 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 1j54 h HIS 24 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1j54 h HIS 24 CO 0.93 0.00 -1.23 2.48 -3.07 0.00 0.00 177.93 177.04 1j54 n TYR 25 N -3.67 0.25 -1.67 6.12 0.18 -1.26 -1.08 117.16 116.02 1j54 n TYR 25 Ca -0.02 0.07 -0.53 0.00 1.88 0.00 0.00 57.90 59.30 1j54 n TYR 25 Cb 0.11 -0.45 -0.06 0.00 -0.38 0.00 0.00 39.34 38.56 1j54 n TYR 25 CO 0.00 0.00 0.00 -1.91 -2.08 0.00 0.00 176.86 172.87 1j54 n GLU 26 N -2.04 1.48 -0.99 -3.48 4.07 -1.10 -0.92 120.64 117.65 1j54 n GLU 26 Ca 0.01 0.54 0.00 0.00 -0.06 0.00 0.00 57.16 57.65 1j54 n GLU 26 Cb 0.46 -2.26 0.00 0.00 -0.06 0.00 0.00 31.44 29.59 1j54 n GLU 26 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1j54 n GLY 27 N 3.79 0.95 3.81 8.31 0.00 -1.26 -4.87 105.19 115.91 1j54 n GLY 27 Ca 0.23 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 46.00 1j54 n GLY 27 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1j54 s HIS 28 N -3.80 2.40 0.03 1.61 3.76 -0.10 -5.09 115.29 114.10 1j54 s HIS 28 Ca 0.00 -0.63 -0.00 0.00 -0.15 0.00 0.00 55.06 54.28 1j54 s HIS 28 Cb 0.00 -1.99 -0.03 0.00 1.11 0.00 0.00 32.58 31.67 1j54 s HIS 28 CO 0.00 -0.02 -0.03 0.15 -0.85 0.00 0.00 174.74 173.99 1j54 s LYS 29 N -4.04 0.40 0.09 1.40 -0.14 -1.26 -5.00 119.74 111.20 1j54 s LYS 29 Ca 0.40 -0.78 -0.29 0.00 -1.36 0.00 0.00 55.97 53.93 1j54 s LYS 29 Cb 0.01 0.13 -0.06 0.00 -1.68 0.00 0.00 37.83 36.23 1j54 s LYS 29 CO 0.23 -0.07 0.93 0.42 -0.76 0.00 0.00 175.35 176.10 1j54 s ILE 30 N -2.15 4.56 -0.20 2.17 1.01 -1.26 -1.53 121.20 123.80 1j54 s ILE 30 Ca -0.09 2.00 0.04 0.00 0.00 0.00 0.00 60.65 62.59 1j54 s ILE 30 Cb -0.05 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1j54 s ILE 30 CO -0.03 0.31 0.19 2.30 0.00 0.00 0.00 174.94 177.71 1j54 n ILE 31 N 2.86 0.00 -3.65 2.92 -5.35 -0.01 -4.67 119.36 111.46 1j54 n ILE 31 Ca 0.02 -0.42 -0.11 0.00 -0.27 0.00 0.00 62.75 61.96 1j54 n ILE 31 Cb 0.49 1.01 -0.08 0.00 -1.74 0.00 0.00 39.64 39.33 1j54 n ILE 31 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1j54 s GLU 32 N -1.25 0.72 -0.08 6.28 2.12 -1.11 -0.35 118.70 125.04 1j54 s GLU 32 Ca 0.02 1.01 0.03 0.00 0.36 0.00 0.00 54.97 56.39 1j54 s GLU 32 Cb 0.03 0.27 0.01 0.00 0.26 0.00 0.00 34.13 34.69 1j54 s GLU 32 CO 0.14 -0.12 -0.18 0.42 -0.54 0.00 0.00 175.26 174.98 1j54 s ILE 33 N 0.85 1.57 -0.07 -3.70 1.01 -0.05 -1.38 121.20 119.43 1j54 s ILE 33 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1j54 s ILE 33 Cb -0.05 -1.38 0.02 0.00 0.01 0.00 0.00 42.46 41.06 1j54 s ILE 33 CO -0.07 0.45 -0.04 -0.83 0.00 0.00 0.00 174.94 174.45 1j54 s GLY 34 N 0.48 0.55 -0.01 6.18 0.00 -0.48 -1.72 107.32 112.32 1j54 s GLY 34 Ca -0.16 -0.19 -0.00 0.00 0.00 0.00 0.00 44.72 44.37 1j54 s GLY 34 CO 0.06 0.69 0.02 0.00 0.00 0.00 0.00 173.10 173.87 1j54 s ALA 35 N 1.36 0.02 -0.08 3.20 0.00 0.09 -1.04 121.76 125.31 1j54 s ALA 35 Ca -0.04 0.13 0.04 0.00 0.00 0.00 0.00 51.96 52.10 1j54 s ALA 35 Cb -0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 1j54 s ALA 35 CO -0.03 -0.04 -0.22 0.14 0.00 0.00 0.00 175.76 175.61 1j54 s VAL 36 N 0.42 1.91 -0.03 0.00 -7.23 0.30 -1.24 120.40 114.52 1j54 s VAL 36 Ca -0.03 -0.95 -0.22 0.00 -1.81 0.00 0.00 61.98 58.97 1j54 s VAL 36 Cb -0.05 -1.65 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 1j54 s VAL 36 CO -0.01 0.53 0.64 -0.70 -0.31 0.00 0.00 175.10 175.25 1j54 s GLU 37 N 0.23 4.38 -0.09 4.82 2.12 -1.25 -0.85 118.70 128.06 1j54 s GLU 37 Ca -0.14 0.79 0.01 0.00 0.36 0.00 0.00 54.97 55.99 1j54 s GLU 37 Cb -0.16 -3.39 0.02 0.00 0.26 0.00 0.00 34.13 30.85 1j54 s GLU 37 CO 0.07 0.23 -0.10 0.08 -0.54 0.00 0.00 175.26 175.00 1j54 s VAL 38 N 0.27 1.08 -0.07 3.70 1.01 0.71 -1.92 120.40 125.19 1j54 s VAL 38 Ca 0.34 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.95 1j54 s VAL 38 Cb -0.18 -1.05 0.01 0.00 0.00 0.00 0.00 36.38 35.17 1j54 s VAL 38 CO 0.17 0.36 -0.12 -0.69 0.00 0.00 0.00 175.10 174.83 1j54 s VAL 39 N 1.24 1.12 -1.39 2.92 1.01 -0.44 -0.94 120.40 123.91 1j54 s VAL 39 Ca -0.04 -0.45 -0.05 0.00 0.00 0.00 0.00 61.98 61.44 1j54 s VAL 39 Cb -0.14 -1.04 0.03 0.00 0.00 0.00 0.00 36.38 35.23 1j54 s VAL 39 CO -0.03 0.36 0.80 0.59 0.00 0.00 0.00 175.10 176.82 1j54 n ASN 40 N 3.96 -2.55 -2.12 3.32 3.02 -1.26 -1.69 115.26 117.94 1j54 n ASN 40 Ca -0.22 -0.81 -0.20 0.00 -0.03 0.00 0.00 54.58 53.32 1j54 n ASN 40 Cb 0.51 -3.98 -0.04 0.00 -0.61 0.00 0.00 39.78 35.67 1j54 n ASN 40 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1j54 n ARG 41 N -4.44 -1.63 -4.17 3.52 1.74 -1.26 -4.99 116.66 105.43 1j54 n ARG 41 Ca -0.17 1.05 -0.19 0.00 -0.77 0.00 0.00 57.85 57.78 1j54 n ARG 41 Cb 0.62 -5.62 -0.16 0.00 -1.02 0.00 0.00 32.46 26.29 1j54 n ARG 41 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1j54 s ARG 42 N -4.58 0.68 0.18 5.56 1.81 -0.68 -5.10 118.95 116.82 1j54 s ARG 42 Ca 0.00 -0.13 -0.31 0.00 -1.72 0.00 0.00 55.73 53.57 1j54 s ARG 42 Cb 0.00 -0.69 -0.10 0.00 -0.45 0.00 0.00 34.95 33.71 1j54 s ARG 42 CO 0.00 -0.01 1.50 -0.51 -0.68 0.00 0.00 175.30 175.60 1j54 s LEU 43 N 0.56 4.37 0.07 2.53 1.43 -1.26 -1.33 118.68 125.06 1j54 s LEU 43 Ca -0.07 2.58 0.15 0.00 -1.03 0.00 0.00 54.13 55.76 1j54 s LEU 43 Cb -0.11 -3.60 -0.13 0.00 0.03 0.00 0.00 46.19 42.38 1j54 s LEU 43 CO -0.00 -0.76 0.90 0.71 0.23 0.00 0.00 176.35 177.43 1j54 h THR 44 N 3.92 0.66 0.00 5.49 1.35 -1.74 -3.48 112.91 119.11 1j54 h THR 44 Ca -0.43 -2.20 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 1j54 h THR 44 Cb 1.21 2.18 0.00 0.00 -1.73 0.00 0.00 68.15 69.81 1j54 h THR 44 CO 0.87 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 177.12 1j54 n GLY 45 N 1.40 0.73 3.39 5.82 0.00 -1.26 -5.00 105.19 110.26 1j54 n GLY 45 Ca -0.09 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.48 1j54 n GLY 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j54 s ASN 46 N -2.51 6.35 0.57 1.61 3.84 -1.26 -5.01 114.94 118.53 1j54 s ASN 46 Ca 0.00 -1.71 0.05 0.00 0.21 0.00 0.00 52.86 51.41 1j54 s ASN 46 Cb 0.00 -2.31 0.05 0.00 -0.55 0.00 0.00 41.25 38.44 1j54 s ASN 46 CO 0.00 -1.04 0.44 0.20 -2.79 0.00 0.00 177.10 173.91 1j54 s ASN 47 N 3.42 4.62 -0.08 -4.21 0.01 -1.26 -3.89 114.94 113.55 1j54 s ASN 47 Ca 0.17 -1.29 0.01 0.00 -0.71 0.00 0.00 52.86 51.03 1j54 s ASN 47 Cb -0.18 0.57 0.02 0.00 0.41 0.00 0.00 41.25 42.07 1j54 s ASN 47 CO 0.01 -1.20 -0.07 0.12 -1.51 0.00 0.00 177.10 174.46 1j54 s PHE 48 N -2.81 1.14 -0.19 2.20 5.36 -0.38 -5.01 117.98 118.30 1j54 s PHE 48 Ca 0.33 -0.45 -0.05 0.00 -0.96 0.00 0.00 56.93 55.81 1j54 s PHE 48 Cb -0.03 -0.96 0.09 0.00 -0.34 0.00 0.00 43.02 41.78 1j54 s PHE 48 CO 0.21 -0.33 0.32 -1.58 -1.46 0.00 0.00 175.22 172.38 1j54 s HIS 49 N 1.27 -0.59 0.02 10.12 2.46 -1.26 -0.73 115.29 126.58 1j54 s HIS 49 Ca -0.04 0.94 -0.00 0.00 0.47 0.00 0.00 55.06 56.42 1j54 s HIS 49 Cb -0.14 0.00 -0.02 0.00 -0.13 0.00 0.00 32.58 32.30 1j54 s HIS 49 CO -0.02 -0.52 -0.02 0.14 -2.47 0.00 0.00 174.74 171.84 1j54 s VAL 50 N 2.48 0.10 -0.05 0.89 -7.23 -0.70 -5.00 120.40 110.89 1j54 s VAL 50 Ca 0.04 -0.85 -0.00 0.00 -1.81 0.00 0.00 61.98 59.36 1j54 s VAL 50 Cb -0.14 -0.25 -0.03 0.00 0.56 0.00 0.00 36.38 36.52 1j54 s VAL 50 CO -0.12 -0.47 -0.01 -0.31 -0.31 0.00 0.00 175.10 173.88 1j54 s TYR 51 N -1.37 3.09 0.11 2.82 2.02 -1.26 -0.87 117.35 121.90 1j54 s TYR 51 Ca -0.15 0.12 0.09 0.00 -0.37 0.00 0.00 57.07 56.77 1j54 s TYR 51 Cb -0.09 -1.73 -0.04 0.00 -0.40 0.00 0.00 41.96 39.70 1j54 s TYR 51 CO -0.01 0.44 -0.22 -0.51 -1.57 0.00 0.00 175.55 173.68 1j54 s LEU 52 N -1.11 2.31 -0.38 -1.29 1.43 0.53 -4.09 118.68 116.09 1j54 s LEU 52 Ca 0.15 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.29 1j54 s LEU 52 Cb -0.11 -0.98 0.01 0.00 0.03 0.00 0.00 46.19 45.14 1j54 s LEU 52 CO 0.05 0.09 0.87 -0.75 0.23 0.00 0.00 176.35 176.84 1j54 s LYS 53 N -2.01 3.77 0.37 1.70 2.20 -0.22 -4.65 119.74 120.91 1j54 s LYS 53 Ca 0.09 0.42 0.21 0.00 -0.36 0.00 0.00 55.97 56.33 1j54 s LYS 53 Cb -0.10 -3.82 0.23 0.00 -1.51 0.00 0.00 37.83 32.64 1j54 s LYS 53 CO 0.05 -0.94 1.51 -1.00 -0.36 0.00 0.00 175.35 174.61 1j54 h PRO 54 N 8.54 0.00 -2.53 4.03 0.13 -1.85 -3.43 132.00 136.89 1j54 h PRO 54 Ca -0.24 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.51 1j54 h PRO 54 Cb 1.08 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.18 1j54 h PRO 54 CO 0.96 0.14 -0.48 -0.25 -0.23 0.00 0.00 178.00 178.14 1j54 n ASP 55 N -3.10 -5.48 -3.54 1.44 8.00 -1.26 -4.94 116.55 107.66 1j54 n ASP 55 Ca 0.03 0.03 -0.10 0.00 0.71 0.00 0.00 54.79 55.46 1j54 n ASP 55 Cb 0.59 -4.54 -0.02 0.00 -0.02 0.00 0.00 41.12 37.13 1j54 n ASP 55 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1j54 s ARG 56 N -4.81 1.32 0.46 -1.24 1.70 -1.26 -5.17 118.95 109.95 1j54 s ARG 56 Ca 0.00 -0.57 -0.14 0.00 -0.47 0.00 0.00 55.73 54.55 1j54 s ARG 56 Cb 0.00 0.56 -0.07 0.00 -0.57 0.00 0.00 34.95 34.86 1j54 s ARG 56 CO 0.00 -0.59 0.88 -0.51 -1.08 0.00 0.00 175.30 174.00 1j54 s LEU 57 N -2.76 3.74 -0.03 -1.89 1.43 -1.26 -5.04 118.68 112.87 1j54 s LEU 57 Ca 0.04 1.37 -0.25 0.00 -1.03 0.00 0.00 54.13 54.26 1j54 s LEU 57 Cb -0.02 -4.27 -0.04 0.00 0.03 0.00 0.00 46.19 41.89 1j54 s LEU 57 CO -0.07 -0.49 0.78 -0.69 0.23 0.00 0.00 176.35 176.11 1j54 s VAL 58 N -2.48 4.94 0.44 -1.59 1.01 -1.26 -4.91 120.40 116.55 1j54 s VAL 58 Ca 0.55 1.63 -0.24 0.00 0.00 0.00 0.00 61.98 63.93 1j54 s VAL 58 Cb -0.10 -4.12 -0.08 0.00 0.00 0.00 0.00 36.38 32.08 1j54 s VAL 58 CO 0.31 0.25 1.21 -1.81 0.00 0.00 0.00 175.10 175.05 1j54 s ASP 59 N 0.69 6.19 0.27 3.32 1.01 0.21 -4.81 116.67 123.54 1j54 s ASP 59 Ca 0.41 2.41 -0.01 0.00 0.71 0.00 0.00 52.55 56.07 1j54 s ASP 59 Cb -0.19 -2.61 0.59 0.00 1.01 0.00 0.00 42.92 41.72 1j54 s ASP 59 CO 0.21 -0.91 1.67 -0.65 0.21 0.00 0.00 175.17 175.71 1j54 h PRO 60 N 2.24 0.25 -0.47 8.23 0.11 -1.96 -0.49 132.00 139.91 1j54 h PRO 60 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1j54 h PRO 60 Cb 1.25 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1j54 h PRO 60 CO 0.61 0.17 0.31 1.49 -0.21 0.00 0.00 178.00 180.36 1j54 h GLU 61 N 0.26 0.62 -0.54 1.05 4.81 -1.93 -0.82 114.58 118.02 1j54 h GLU 61 Ca 0.49 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.65 1j54 h GLU 61 Cb 0.91 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 1j54 h GLU 61 CO -0.58 0.41 0.22 0.00 -0.73 0.00 0.00 179.01 178.33 1j54 h ALA 62 N 1.17 0.70 -0.30 2.92 0.00 -1.43 -2.33 119.26 119.99 1j54 h ALA 62 Ca 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1j54 h ALA 62 Cb -0.07 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1j54 h ALA 62 CO -0.04 0.31 0.13 0.35 0.00 0.00 0.00 179.25 180.01 1j54 h PHE 63 N 0.73 0.40 0.00 0.00 3.57 -0.74 -0.05 116.94 120.85 1j54 h PHE 63 Ca 0.18 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1j54 h PHE 63 Cb 0.20 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.81 1j54 h PHE 63 CO 0.01 0.31 0.00 0.78 -2.23 0.00 0.00 178.31 177.18 1j54 h GLY 64 N 0.54 0.00 0.06 2.40 0.00 -0.59 0.89 103.07 106.36 1j54 h GLY 64 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.13 1j54 h GLY 64 CO -0.01 0.00 -1.68 -0.62 0.00 0.00 0.00 176.54 174.23 1j54 n VAL 65 N -2.69 1.56 0.24 4.60 0.31 -0.09 -4.70 118.33 117.56 1j54 n VAL 65 Ca 0.01 -0.19 0.07 0.00 -0.01 0.00 0.00 64.34 64.22 1j54 n VAL 65 Cb 0.22 -1.96 -0.10 0.00 -0.91 0.00 0.00 33.84 31.10 1j54 n VAL 65 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1j54 n HIS 66 N -4.26 0.00 -1.49 3.52 -0.00 -0.87 -1.04 115.22 111.08 1j54 n HIS 66 Ca -0.38 0.00 -0.17 0.00 -0.00 0.00 0.00 57.72 57.17 1j54 n HIS 66 Cb 0.78 -0.21 -0.07 0.00 -0.00 0.00 0.00 29.99 30.48 1j54 n HIS 66 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1j54 n GLY 67 N 1.55 1.67 3.61 -1.39 0.00 0.31 -4.60 105.19 106.33 1j54 n GLY 67 Ca -0.01 -0.19 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1j54 n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j54 s ILE 68 N -2.60 4.59 0.39 -0.61 1.01 -1.26 -5.02 121.20 117.69 1j54 s ILE 68 Ca 0.00 1.27 -0.24 0.00 0.00 0.00 0.00 60.65 61.69 1j54 s ILE 68 Cb 0.00 -4.33 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 1j54 s ILE 68 CO 0.00 -0.51 0.99 0.00 0.00 0.00 0.00 174.94 175.42 1j54 s ALA 69 N 3.47 3.09 0.26 9.38 0.00 -1.26 -4.90 121.76 131.80 1j54 s ALA 69 Ca 0.39 0.57 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1j54 s ALA 69 Cb -0.12 -3.22 0.43 0.00 0.00 0.00 0.00 23.12 20.21 1j54 s ALA 69 CO 0.18 -0.03 1.83 -0.44 0.00 0.00 0.00 175.76 177.30 1j54 h ASP 70 N 2.48 0.80 -0.42 0.00 3.32 -1.96 -2.04 116.42 118.59 1j54 h ASP 70 Ca -0.48 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.61 1j54 h ASP 70 Cb 1.20 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 1j54 h ASP 70 CO 0.62 0.46 0.28 -0.33 -1.72 0.00 0.00 179.24 178.55 1j54 h GLU 71 N 0.91 0.55 0.00 3.56 3.07 -2.01 -2.38 114.58 118.27 1j54 h GLU 71 Ca 0.42 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 59.22 1j54 h GLU 71 Cb 0.35 -0.12 -0.00 0.00 -0.84 0.00 0.00 28.75 28.13 1j54 h GLU 71 CO -0.23 0.36 -0.14 0.35 -1.40 0.00 0.00 179.01 177.95 1j54 h PHE 72 N 0.56 0.00 0.00 4.33 3.57 -1.76 -3.03 116.94 120.62 1j54 h PHE 72 Ca 0.15 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.65 1j54 h PHE 72 Cb -0.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.68 1j54 h PHE 72 CO -0.00 0.14 -0.70 1.28 -2.23 0.00 0.00 178.31 176.80 1j54 n LEU 73 N -3.47 0.61 -0.23 0.59 4.77 -0.90 -4.41 117.00 113.96 1j54 n LEU 73 Ca -0.01 -0.03 0.16 0.00 -0.03 0.00 0.00 56.01 56.11 1j54 n LEU 73 Cb 0.31 -0.18 0.48 0.00 -2.33 0.00 0.00 43.42 41.70 1j54 n LEU 73 CO 0.30 0.09 1.22 -0.07 -1.33 0.00 0.00 177.39 177.60 1j54 h LEU 74 N 0.00 0.47 -2.69 2.23 3.38 -1.52 -1.81 115.31 115.37 1j54 h LEU 74 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1j54 h LEU 74 Cb 0.59 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1j54 h LEU 74 CO 0.00 0.21 0.00 -0.90 0.09 0.00 0.00 178.44 177.84 1j54 n ASP 75 N -4.52 3.87 -4.91 -0.43 5.75 -1.26 -4.99 116.55 110.06 1j54 n ASP 75 Ca 0.18 -2.00 -0.28 0.00 -0.01 0.00 0.00 54.79 52.68 1j54 n ASP 75 Cb 0.60 -0.45 0.03 0.00 -1.03 0.00 0.00 41.12 40.27 1j54 n ASP 75 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1j54 s LYS 76 N -1.08 3.08 0.76 0.11 -0.14 -0.68 -5.06 119.74 116.74 1j54 s LYS 76 Ca 0.47 0.15 -0.11 0.00 -1.36 0.00 0.00 55.97 55.13 1j54 s LYS 76 Cb 0.25 -2.24 0.05 0.00 -1.68 0.00 0.00 37.83 34.21 1j54 s LYS 76 CO 0.33 -0.64 1.08 -1.25 -0.76 0.00 0.00 175.35 174.11 1j54 s PRO 77 N -5.01 2.34 0.51 -1.68 0.04 -1.26 -4.20 135.00 125.75 1j54 s PRO 77 Ca 0.53 1.05 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1j54 s PRO 77 Cb -0.11 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.53 1j54 s PRO 77 CO 0.47 -1.55 0.75 0.95 0.04 0.00 0.00 177.00 177.66 1j54 s THR 78 N -2.96 3.46 0.27 1.26 -4.23 -1.26 -1.05 115.64 111.12 1j54 s THR 78 Ca 0.60 -0.46 -0.03 0.00 -1.18 0.00 0.00 61.69 60.63 1j54 s THR 78 Cb -0.16 -3.31 0.27 0.00 1.34 0.00 0.00 72.50 70.64 1j54 s THR 78 CO 0.56 -0.24 1.90 0.15 -0.54 0.00 0.00 174.62 176.45 1j54 h PHE 79 N 0.16 1.19 -0.60 3.99 3.57 -1.93 -1.53 116.94 121.79 1j54 h PHE 79 Ca -0.45 0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.14 1j54 h PHE 79 Cb 1.27 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 39.58 1j54 h PHE 79 CO 0.42 0.65 0.40 0.00 -2.23 0.00 0.00 178.31 177.55 1j54 h ALA 80 N 1.45 1.80 0.00 2.41 0.00 -1.93 0.12 119.26 123.10 1j54 h ALA 80 Ca 0.41 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1j54 h ALA 80 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1j54 h ALA 80 CO -0.15 0.11 0.00 0.93 0.00 0.00 0.00 179.25 180.14 1j54 h GLU 81 N 0.60 0.00 -0.00 0.00 5.08 -1.65 -3.26 114.58 115.34 1j54 h GLU 81 Ca 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.62 1j54 h GLU 81 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1j54 h GLU 81 CO -0.08 0.00 -0.30 1.33 -1.00 0.00 0.00 179.01 178.97 1j54 n VAL 82 N -2.54 0.00 -0.23 3.13 0.24 -0.77 -4.75 118.33 113.42 1j54 n VAL 82 Ca 0.04 -0.35 0.03 0.00 -2.04 0.00 0.00 64.34 62.01 1j54 n VAL 82 Cb 0.38 1.01 0.15 0.00 -1.47 0.00 0.00 33.84 33.91 1j54 n VAL 82 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1j54 h ALA 83 N 0.96 0.90 0.20 2.33 0.00 -1.04 -0.43 119.26 122.19 1j54 h ALA 83 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1j54 h ALA 83 Cb 0.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1j54 h ALA 83 CO 0.00 -0.23 -0.10 -0.44 0.00 0.00 0.00 179.25 178.49 1j54 h ASP 84 N 0.39 -0.23 -0.33 0.00 3.32 -1.85 -0.31 116.42 117.40 1j54 h ASP 84 Ca 0.36 -0.06 -0.05 0.00 0.02 0.00 0.00 57.03 57.30 1j54 h ASP 84 Cb 0.52 0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.11 1j54 h ASP 84 CO -0.38 -0.09 0.04 -0.08 -1.72 0.00 0.00 179.24 177.02 1j54 h GLU 85 N -0.36 0.65 -0.29 3.56 4.81 -1.85 -0.73 114.58 120.37 1j54 h GLU 85 Ca -0.03 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1j54 h GLU 85 Cb 0.28 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1j54 h GLU 85 CO 0.05 0.64 0.16 0.35 -0.73 0.00 0.00 179.01 179.48 1j54 h PHE 86 N 0.62 0.39 -0.51 0.92 3.57 -0.86 -0.54 116.94 120.54 1j54 h PHE 86 Ca 0.13 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.55 1j54 h PHE 86 Cb 0.33 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1j54 h PHE 86 CO 0.01 0.31 -0.00 0.52 -2.23 0.00 0.00 178.31 176.92 1j54 h MET 87 N 0.35 0.86 -0.30 1.11 2.86 -0.63 -2.03 114.93 117.16 1j54 h MET 87 Ca 0.10 -0.24 -0.03 0.00 -2.06 0.00 0.00 59.70 57.47 1j54 h MET 87 Cb 0.05 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.60 1j54 h MET 87 CO -0.02 0.86 0.04 -0.44 1.06 0.00 0.00 176.91 178.42 1j54 h ASP 88 N 0.80 0.41 -0.10 1.22 3.32 -0.70 -0.73 116.42 120.64 1j54 h ASP 88 Ca 0.15 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.02 1j54 h ASP 88 Cb 0.48 -0.11 0.01 0.00 0.22 0.00 0.00 39.33 39.93 1j54 h ASP 88 CO 0.02 0.44 -0.43 0.22 -1.72 0.00 0.00 179.24 177.78 1j54 h TYR 89 N 0.44 0.63 0.00 4.55 3.20 -0.60 -3.36 116.97 121.82 1j54 h TYR 89 Ca 0.10 -0.27 -0.09 0.00 3.14 0.00 0.00 58.73 61.62 1j54 h TYR 89 Cb 0.22 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 1j54 h TYR 89 CO 0.01 1.03 -1.09 -0.84 -1.64 0.00 0.00 178.16 175.62 1j54 h ILE 90 N 0.05 0.31 -1.37 1.81 3.07 -1.27 -3.47 117.51 116.64 1j54 h ILE 90 Ca -0.02 -1.57 -0.73 0.00 1.55 0.00 0.00 64.86 64.08 1j54 h ILE 90 Cb 1.07 1.86 0.05 0.00 -0.27 0.00 0.00 36.82 39.53 1j54 h ILE 90 CO 0.09 0.18 0.27 -1.14 -1.05 0.00 0.00 178.15 176.50 1j54 n ARG 91 N -2.85 0.62 -0.31 0.16 0.63 -0.29 -1.67 116.66 112.95 1j54 n ARG 91 Ca -0.04 0.22 0.00 0.00 -0.92 0.00 0.00 57.85 57.11 1j54 n ARG 91 Cb 0.70 -1.80 0.00 0.00 0.45 0.00 0.00 32.46 31.81 1j54 n ARG 91 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1j54 n GLY 92 N 2.05 1.72 3.93 5.14 0.00 0.66 -5.01 105.19 113.69 1j54 n GLY 92 Ca 0.19 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 1j54 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j54 s ALA 93 N -2.76 3.32 -0.36 4.61 0.00 -0.67 -4.76 121.76 121.13 1j54 s ALA 93 Ca 0.00 -0.95 -0.17 0.00 0.00 0.00 0.00 51.96 50.84 1j54 s ALA 93 Cb 0.00 -2.51 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 1j54 s ALA 93 CO 0.00 -1.10 0.44 -2.00 0.00 0.00 0.00 175.76 173.10 1j54 s GLU 94 N -5.11 3.48 -0.05 0.00 2.12 -0.72 -1.63 118.70 116.80 1j54 s GLU 94 Ca 0.58 -0.39 -0.27 0.00 0.36 0.00 0.00 54.97 55.26 1j54 s GLU 94 Cb -0.11 -3.84 -0.03 0.00 0.26 0.00 0.00 34.13 30.41 1j54 s GLU 94 CO 0.44 -0.65 0.86 -0.51 -0.54 0.00 0.00 175.26 174.86 1j54 s LEU 95 N 2.21 4.32 -0.26 2.70 1.43 0.14 -1.18 118.68 128.04 1j54 s LEU 95 Ca 0.15 1.42 -0.03 0.00 -1.03 0.00 0.00 54.13 54.64 1j54 s LEU 95 Cb -0.16 -3.35 0.02 0.00 0.03 0.00 0.00 46.19 42.73 1j54 s LEU 95 CO 0.13 -0.23 -0.02 -0.69 0.23 0.00 0.00 176.35 175.76 1j54 s VAL 96 N 1.13 3.14 -0.01 -1.59 1.01 -0.01 -0.21 120.40 123.87 1j54 s VAL 96 Ca 0.45 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.46 1j54 s VAL 96 Cb -0.19 -2.62 0.00 0.00 0.00 0.00 0.00 36.38 33.57 1j54 s VAL 96 CO 0.22 0.14 -0.06 -0.63 0.00 0.00 0.00 175.10 174.77 1j54 s ILE 97 N 1.36 0.50 -0.55 2.22 1.01 -0.74 -1.42 121.20 123.58 1j54 s ILE 97 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 60.65 60.15 1j54 s ILE 97 Cb -0.17 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 41.89 1j54 s ILE 97 CO -0.02 0.16 1.07 -2.28 0.00 0.00 0.00 174.94 173.87 1j54 s HIS 98 N 0.07 2.72 -0.22 3.97 2.46 -1.26 -1.16 115.29 121.86 1j54 s HIS 98 Ca -0.00 0.28 -0.01 0.00 0.47 0.00 0.00 55.06 55.80 1j54 s HIS 98 Cb -0.05 -4.30 -0.01 0.00 -0.13 0.00 0.00 32.58 28.09 1j54 s HIS 98 CO -0.00 -1.44 0.18 -1.71 -2.47 0.00 0.00 174.74 169.31 1j54 n ASN 99 N 7.93 -2.41 -0.32 9.88 5.15 -1.26 -4.89 115.26 129.34 1j54 n ASN 99 Ca 0.06 -0.13 0.20 0.00 -0.60 0.00 0.00 54.58 54.11 1j54 n ASN 99 Cb 0.48 -1.39 0.39 0.00 -0.53 0.00 0.00 39.78 38.73 1j54 n ASN 99 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1j54 h ALA 100 N 0.09 1.56 -0.58 5.20 0.00 -1.84 -0.48 119.26 123.21 1j54 h ALA 100 Ca -0.11 0.27 0.16 0.00 0.00 0.00 0.00 54.91 55.22 1j54 h ALA 100 Cb 1.06 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.22 1j54 h ALA 100 CO 0.09 -0.64 0.41 0.00 0.00 0.00 0.00 179.25 179.11 1j54 h ALA 101 N 1.91 2.48 0.74 0.00 0.00 -1.92 -0.03 119.26 122.44 1j54 h ALA 101 Ca 0.67 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.52 1j54 h ALA 101 Cb 1.52 0.03 0.01 0.00 0.00 0.00 0.00 17.79 19.35 1j54 h ALA 101 CO -0.77 -0.64 -0.36 0.35 0.00 0.00 0.00 179.25 177.84 1j54 h PHE 102 N 0.05 -0.92 -0.56 0.00 3.57 -1.44 -1.72 116.94 115.92 1j54 h PHE 102 Ca 0.27 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.67 1j54 h PHE 102 Cb 1.03 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 40.05 1j54 h PHE 102 CO -0.00 -0.57 0.02 -0.44 -2.23 0.00 0.00 178.31 175.09 1j54 h ASP 103 N -1.23 0.95 -0.60 0.41 5.19 -1.59 -2.52 116.42 117.03 1j54 h ASP 103 Ca -0.10 -0.30 -0.04 0.00 -0.62 0.00 0.00 57.03 55.97 1j54 h ASP 103 Cb 0.76 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.99 1j54 h ASP 103 CO 0.17 1.01 0.24 0.40 -3.12 0.00 0.00 179.24 177.94 1j54 h ILE 104 N 0.86 1.23 -0.38 0.35 1.08 -1.10 1.00 117.51 120.54 1j54 h ILE 104 Ca 0.16 -0.72 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1j54 h ILE 104 Cb 0.51 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 1j54 h ILE 104 CO 0.02 0.29 0.24 1.23 -0.69 0.00 0.00 178.15 179.24 1j54 h GLY 105 N 1.02 0.54 1.04 5.37 0.00 -1.04 0.32 103.07 110.32 1j54 h GLY 105 Ca 0.21 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 1j54 h GLY 105 CO -0.02 0.21 -0.04 0.74 0.00 0.00 0.00 176.54 177.43 1j54 h PHE 106 N 0.51 1.04 -0.05 5.60 0.04 -1.01 -1.49 116.94 121.57 1j54 h PHE 106 Ca 0.14 -0.19 -0.00 0.00 2.80 0.00 0.00 57.97 60.71 1j54 h PHE 106 Cb -0.03 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 37.85 1j54 h PHE 106 CO -0.04 0.97 0.02 0.52 -0.60 0.00 0.00 178.31 179.18 1j54 h MET 107 N 0.81 0.07 -0.25 1.51 2.86 -0.47 -0.40 114.93 119.06 1j54 h MET 107 Ca 0.14 -0.01 -0.07 0.00 -2.06 0.00 0.00 59.70 57.71 1j54 h MET 107 Cb 0.58 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 1j54 h MET 107 CO 0.03 0.14 -0.14 -0.44 1.06 0.00 0.00 176.91 177.57 1j54 h ASP 108 N -0.03 0.40 0.20 1.22 3.32 -0.93 0.44 116.42 121.05 1j54 h ASP 108 Ca 0.02 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 1j54 h ASP 108 Cb 0.09 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.54 1j54 h ASP 108 CO -0.00 0.57 -0.10 0.22 -1.72 0.00 0.00 179.24 178.21 1j54 h TYR 109 N 0.39 -0.25 -0.62 4.55 3.20 -1.01 -0.10 116.97 123.12 1j54 h TYR 109 Ca 0.07 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 1j54 h TYR 109 Cb 0.47 0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.80 1j54 h TYR 109 CO 0.01 -0.05 0.21 0.93 -1.64 0.00 0.00 178.16 177.62 1j54 h GLU 110 N -0.42 0.93 -0.63 1.82 4.39 -0.84 -2.15 114.58 117.67 1j54 h GLU 110 Ca -0.03 -0.17 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 1j54 h GLU 110 Cb 0.32 -0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1j54 h GLU 110 CO 0.05 0.79 0.09 0.74 -1.16 0.00 0.00 179.01 179.51 1j54 h PHE 111 N 0.90 1.12 -0.20 4.33 0.04 -0.76 -2.92 116.94 119.46 1j54 h PHE 111 Ca 0.21 -0.15 -0.08 0.00 2.80 0.00 0.00 57.97 60.74 1j54 h PHE 111 Cb 0.24 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 38.07 1j54 h PHE 111 CO 0.02 0.95 -0.21 0.66 -0.60 0.00 0.00 178.31 179.12 1j54 h SER 112 N 0.98 0.34 0.54 2.17 4.64 -0.50 -2.59 113.55 119.13 1j54 h SER 112 Ca 0.19 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1j54 h SER 112 Cb 0.44 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.44 1j54 h SER 112 CO 0.01 0.57 0.00 -0.07 -0.87 0.00 0.00 176.83 176.48 1j54 h LEU 113 N 0.32 0.00 -0.57 5.97 3.38 -1.20 -2.43 115.31 120.78 1j54 h LEU 113 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1j54 h LEU 113 Cb 0.56 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1j54 h LEU 113 CO 0.04 0.00 0.00 -0.07 0.09 0.00 0.00 178.44 178.50 1j54 h LEU 114 N 0.00 0.00 -1.44 1.67 3.38 -1.49 -3.47 115.31 113.95 1j54 h LEU 114 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 1j54 h LEU 114 Cb 0.27 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.09 1j54 h LEU 114 CO 0.00 0.00 -0.78 0.29 0.09 0.00 0.00 178.44 178.04 1j54 n LYS 115 N -2.64 -5.81 -0.05 1.13 5.02 -0.92 -4.90 118.16 110.01 1j54 n LYS 115 Ca 0.03 0.69 0.04 0.00 -2.02 0.00 0.00 58.31 57.05 1j54 n LYS 115 Cb 0.36 -5.48 0.06 0.00 -0.02 0.00 0.00 35.03 29.95 1j54 n LYS 115 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j54 n ARG 116 N -4.44 2.42 -3.01 1.97 1.74 -1.26 -4.99 116.66 109.09 1j54 n ARG 116 Ca -0.18 -1.93 -0.22 0.00 -0.77 0.00 0.00 57.85 54.75 1j54 n ARG 116 Cb 0.63 -1.21 0.03 0.00 -1.02 0.00 0.00 32.46 30.89 1j54 n ARG 116 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1j54 n ASP 117 N -0.76 -5.94 -4.70 0.55 8.00 -1.26 -4.94 116.55 107.50 1j54 n ASP 117 Ca 0.07 -0.28 -0.42 0.00 0.71 0.00 0.00 54.79 54.87 1j54 n ASP 117 Cb 0.41 -4.81 -0.03 0.00 -0.02 0.00 0.00 41.12 36.67 1j54 n ASP 117 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1j54 s ILE 118 N -3.15 3.77 0.93 0.53 1.01 -1.26 -5.00 121.20 118.03 1j54 s ILE 118 Ca 0.29 1.23 -0.12 0.00 0.00 0.00 0.00 60.65 62.05 1j54 s ILE 118 Cb -0.13 -3.79 0.15 0.00 0.01 0.00 0.00 42.46 38.70 1j54 s ILE 118 CO 0.36 0.05 1.09 -2.16 0.00 0.00 0.00 174.94 174.29 1j54 s PRO 119 N 1.63 0.94 0.49 2.79 0.04 -1.26 -4.85 135.00 134.78 1j54 s PRO 119 Ca 0.61 0.75 -0.24 0.00 0.04 0.00 0.00 61.00 62.17 1j54 s PRO 119 Cb -0.31 -1.78 -0.07 0.00 0.04 0.00 0.00 34.50 32.38 1j54 s PRO 119 CO 0.28 -2.44 1.38 0.15 0.04 0.00 0.00 177.00 176.40 1j54 s LYS 120 N -4.92 3.48 0.26 4.56 1.02 -1.26 -4.91 119.74 117.97 1j54 s LYS 120 Ca 0.64 2.29 -0.02 0.00 0.02 0.00 0.00 55.97 58.90 1j54 s LYS 120 Cb -0.18 -2.48 0.48 0.00 -0.52 0.00 0.00 37.83 35.13 1j54 s LYS 120 CO 0.57 -0.94 1.78 1.15 -0.92 0.00 0.00 175.35 177.00 1j54 h THR 121 N 1.93 0.80 0.00 2.17 2.02 -1.93 -0.87 112.91 117.03 1j54 h THR 121 Ca -0.51 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.43 1j54 h THR 121 Cb 1.28 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 67.73 1j54 h THR 121 CO 0.60 0.13 0.00 -0.46 0.37 0.00 0.00 175.52 176.15 1j54 n ASN 122 N -4.82 0.00 0.02 4.18 0.23 -1.26 -1.16 115.26 112.46 1j54 n ASN 122 Ca 0.16 -0.70 0.11 0.00 -0.53 0.00 0.00 54.58 53.62 1j54 n ASN 122 Cb 0.37 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 38.02 1j54 n ASN 122 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 1j54 n THR 123 N -0.79 0.13 -0.41 5.53 -2.24 -0.33 -4.35 114.28 111.81 1j54 n THR 123 Ca 0.07 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 1j54 n THR 123 Cb 0.03 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 1j54 n THR 123 CO 0.00 0.00 0.00 2.22 -0.57 0.00 0.00 175.07 176.72 1j54 n PHE 124 N -2.03 0.00 -3.97 4.78 1.16 -0.72 -5.05 117.46 111.64 1j54 n PHE 124 Ca 0.00 -0.06 -0.10 0.00 -1.87 0.00 0.00 57.45 55.43 1j54 n PHE 124 Cb 0.46 -0.01 -0.11 0.00 -1.61 0.00 0.00 39.48 38.21 1j54 n PHE 124 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 1j54 s LYS 126 N -1.24 4.16 -0.18 0.00 2.20 -0.64 -4.25 119.74 119.79 1j54 s LYS 126 Ca -0.13 0.68 0.00 0.00 -0.36 0.00 0.00 55.97 56.16 1j54 s LYS 126 Cb -0.08 -3.24 0.01 0.00 -1.51 0.00 0.00 37.83 33.00 1j54 s LYS 126 CO -0.01 0.63 -0.17 0.08 -0.36 0.00 0.00 175.35 175.52 1j54 s VAL 127 N -1.02 2.38 -0.18 4.02 1.01 -1.26 0.27 120.40 125.62 1j54 s VAL 127 Ca 0.28 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 1j54 s VAL 127 Cb -0.19 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1j54 s VAL 127 CO 0.18 0.52 -0.11 -0.89 0.00 0.00 0.00 175.10 174.80 1j54 s THR 128 N 1.21 3.00 -0.55 3.92 2.01 0.71 -4.96 115.64 120.98 1j54 s THR 128 Ca 0.02 -0.64 -0.21 0.00 0.31 0.00 0.00 61.69 61.18 1j54 s THR 128 Cb -0.14 -2.31 0.06 0.00 0.01 0.00 0.00 72.50 70.13 1j54 s THR 128 CO -0.08 0.49 0.75 -0.62 -0.69 0.00 0.00 174.62 174.46 1j54 s ASP 129 N 0.98 6.23 0.45 3.53 -1.08 -1.26 -1.79 116.67 123.73 1j54 s ASP 129 Ca -0.01 -0.90 0.31 0.00 -0.52 0.00 0.00 52.55 51.42 1j54 s ASP 129 Cb -0.15 -2.34 1.42 0.00 -1.46 0.00 0.00 42.92 40.40 1j54 s ASP 129 CO -0.01 -1.07 1.92 0.77 0.52 0.00 0.00 175.17 177.30 1j54 h SER 130 N 9.17 0.00 0.37 -0.34 4.64 -1.51 -1.89 113.55 123.99 1j54 h SER 130 Ca -0.28 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.79 1j54 h SER 130 Cb 1.09 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1j54 h SER 130 CO 1.04 0.00 -1.06 0.25 -0.87 0.00 0.00 176.83 176.19 1j54 h LEU 131 N 0.00 0.57 -0.45 5.97 5.85 -1.90 -0.83 115.31 124.51 1j54 h LEU 131 Ca 0.00 -0.50 -0.15 0.00 0.84 0.00 0.00 57.88 58.07 1j54 h LEU 131 Cb 0.29 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1j54 h LEU 131 CO 0.00 1.32 -0.34 0.00 -0.34 0.00 0.00 178.44 179.08 1j54 h ALA 132 N 0.63 0.64 -0.43 1.25 0.00 -1.74 -0.01 119.26 119.60 1j54 h ALA 132 Ca -0.11 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 1j54 h ALA 132 Cb 1.72 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.36 1j54 h ALA 132 CO 0.19 0.67 0.21 0.28 0.00 0.00 0.00 179.25 180.60 1j54 h VAL 133 N 0.76 1.17 -0.50 0.00 2.07 -1.32 -1.29 116.25 117.15 1j54 h VAL 133 Ca 0.07 -0.49 -0.07 0.00 0.82 0.00 0.00 66.70 67.04 1j54 h VAL 133 Cb 0.92 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1j54 h VAL 133 CO 0.09 0.19 0.06 0.00 0.02 0.00 0.00 177.57 177.92 1j54 h ALA 134 N 1.06 0.67 -0.27 1.67 0.00 -0.98 -1.91 119.26 119.50 1j54 h ALA 134 Ca 0.15 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 1j54 h ALA 134 Cb 0.10 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1j54 h ALA 134 CO -0.02 0.42 0.03 0.00 0.00 0.00 0.00 179.25 179.68 1j54 h ARG 135 N 0.72 0.39 -0.19 0.00 3.08 -0.79 0.30 114.38 117.90 1j54 h ARG 135 Ca 0.15 -0.06 -0.18 0.00 0.07 0.00 0.00 59.98 59.96 1j54 h ARG 135 Cb 0.43 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1j54 h ARG 135 CO 0.01 0.40 -0.61 -0.22 -1.07 0.00 0.00 179.97 178.49 1j54 h LYS 136 N 0.39 0.65 0.00 0.04 3.64 -0.93 -2.16 116.57 118.20 1j54 h LYS 136 Ca 0.09 -0.44 -0.21 0.00 -1.27 0.00 0.00 60.65 58.82 1j54 h LYS 136 Cb 0.22 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.08 1j54 h LYS 136 CO 0.00 1.06 -0.98 1.98 -2.27 0.00 0.00 179.45 179.24 1j54 h MET 137 N 0.48 0.01 -2.17 1.90 4.05 -0.80 -3.37 114.93 115.03 1j54 h MET 137 Ca -0.00 -0.02 -0.55 0.00 -0.28 0.00 0.00 59.70 58.84 1j54 h MET 137 Cb 1.18 0.01 -0.41 0.00 -0.80 0.00 0.00 31.60 31.58 1j54 h MET 137 CO 0.12 0.98 -0.84 1.19 0.23 0.00 0.00 176.91 178.59 1j54 n PHE 138 N -3.39 2.53 -1.82 1.39 3.72 0.10 -5.10 117.46 114.90 1j54 n PHE 138 Ca -0.00 -3.93 -0.41 0.00 -0.05 0.00 0.00 57.45 53.06 1j54 n PHE 138 Cb 0.92 -0.47 0.00 0.00 -0.94 0.00 0.00 39.48 39.00 1j54 n PHE 138 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 1j54 s PRO 139 N -2.94 4.06 -0.06 -1.08 0.04 -0.82 -2.38 135.00 131.83 1j54 s PRO 139 Ca 0.45 2.52 0.00 0.00 0.04 0.00 0.00 61.00 64.01 1j54 s PRO 139 Cb 0.29 -2.92 0.00 0.00 0.04 0.00 0.00 34.50 31.90 1j54 s PRO 139 CO -0.11 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 176.78 1j54 n GLY 140 N 0.50 0.42 3.59 0.56 0.00 -1.26 -5.02 105.19 103.98 1j54 n GLY 140 Ca 0.02 -0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 1j54 n GLY 140 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j54 s LYS 141 N -0.70 1.92 0.20 1.61 -0.14 -1.00 -5.10 119.74 116.52 1j54 s LYS 141 Ca 0.00 -2.02 -0.30 0.00 -1.36 0.00 0.00 55.97 52.29 1j54 s LYS 141 Cb 0.00 -1.69 -0.08 0.00 -1.68 0.00 0.00 37.83 34.38 1j54 s LYS 141 CO 0.00 0.03 1.24 1.03 -0.76 0.00 0.00 175.35 176.89 1j54 s ARG 142 N -3.68 4.46 -0.07 1.68 0.52 -1.26 -4.94 118.95 115.66 1j54 s ARG 142 Ca 0.34 1.95 0.15 0.00 -0.52 0.00 0.00 55.73 57.65 1j54 s ARG 142 Cb 0.06 -3.22 0.30 0.00 0.52 0.00 0.00 34.95 32.61 1j54 s ARG 142 CO 0.18 -0.14 1.14 0.09 0.02 0.00 0.00 175.30 176.58 1j54 n ASN 143 N 2.43 1.14 -4.73 0.23 3.02 -1.26 -4.72 115.26 111.37 1j54 n ASN 143 Ca 0.05 -2.62 -0.30 0.00 -0.03 0.00 0.00 54.58 51.67 1j54 n ASN 143 Cb 0.44 -0.35 0.12 0.00 -0.61 0.00 0.00 39.78 39.38 1j54 n ASN 143 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1j54 s SER 144 N -2.18 3.78 0.27 6.41 1.04 -1.26 -4.76 113.70 116.99 1j54 s SER 144 Ca 0.26 1.69 -0.02 0.00 0.48 0.00 0.00 55.95 58.36 1j54 s SER 144 Cb 0.27 -2.36 0.42 0.00 0.10 0.00 0.00 66.02 64.45 1j54 s SER 144 CO -0.07 -2.48 1.87 0.25 0.98 0.00 0.00 173.24 173.80 1j54 h LEU 145 N -1.44 1.01 -0.71 2.42 5.85 -1.99 -1.01 115.31 119.45 1j54 h LEU 145 Ca -0.47 0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.21 1j54 h LEU 145 Cb 1.26 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.06 1j54 h LEU 145 CO 0.52 0.63 0.21 0.44 -0.34 0.00 0.00 178.44 179.90 1j54 h ASP 146 N 1.14 1.04 -0.53 1.25 3.32 -2.00 -0.98 116.42 119.67 1j54 h ASP 146 Ca 0.44 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 57.21 1j54 h ASP 146 Cb 0.21 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.46 1j54 h ASP 146 CO -0.19 0.98 0.12 0.00 -1.72 0.00 0.00 179.24 178.43 1j54 h ALA 147 N 1.10 1.12 0.00 3.45 0.00 -1.67 -2.23 119.26 121.03 1j54 h ALA 147 Ca 0.23 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.81 1j54 h ALA 147 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1j54 h ALA 147 CO -0.00 0.58 -0.46 -0.07 0.00 0.00 0.00 179.25 179.29 1j54 h LEU 148 N 0.86 0.00 -0.60 0.00 3.38 -0.83 -1.78 115.31 116.34 1j54 h LEU 148 Ca 0.18 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1j54 h LEU 148 Cb 0.35 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1j54 h LEU 148 CO 0.00 0.46 0.06 0.00 0.09 0.00 0.00 178.44 179.05 1j54 h ALA 150 N 1.00 0.48 -0.91 0.00 0.00 -1.27 0.31 119.26 118.87 1j54 h ALA 150 Ca 0.18 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 1j54 h ALA 150 Cb 0.49 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1j54 h ALA 150 CO 0.02 0.49 0.54 -0.09 0.00 0.00 0.00 179.25 180.21 1j54 h ARG 151 N 0.55 1.24 -0.49 0.00 2.43 -1.10 -2.91 114.38 114.11 1j54 h ARG 151 Ca 0.06 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 1j54 h ARG 151 Cb 0.84 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1j54 h ARG 151 CO 0.07 0.87 0.00 0.66 -1.51 0.00 0.00 179.97 180.06 1j54 n TYR 152 N -4.35 1.06 -3.80 2.20 4.01 -0.20 -4.98 117.16 111.10 1j54 n TYR 152 Ca 0.10 -0.63 -0.25 0.00 -0.16 0.00 0.00 57.90 56.96 1j54 n TYR 152 Cb 0.07 -0.19 0.03 0.00 -0.31 0.00 0.00 39.34 38.94 1j54 n TYR 152 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1j54 n GLU 153 N 0.65 -5.03 -3.90 -0.72 1.02 0.11 -4.98 120.64 107.80 1j54 n GLU 153 Ca 0.21 0.60 -0.36 0.00 -0.02 0.00 0.00 57.16 57.58 1j54 n GLU 153 Cb 0.75 -5.25 -0.07 0.00 -0.02 0.00 0.00 31.44 26.85 1j54 n GLU 153 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1j54 s ILE 154 N -3.55 5.32 -0.16 -3.67 -1.09 0.85 -5.02 121.20 113.87 1j54 s ILE 154 Ca 0.25 0.15 -0.29 0.00 -2.23 0.00 0.00 60.65 58.52 1j54 s ILE 154 Cb -0.12 -3.35 -0.02 0.00 -1.58 0.00 0.00 42.46 37.38 1j54 s ILE 154 CO 0.82 0.56 1.42 -0.62 -1.23 0.00 0.00 174.94 175.89 1j54 s ASP 155 N -0.55 6.76 -0.10 3.58 2.15 -1.26 -4.58 116.67 122.67 1j54 s ASP 155 Ca 0.12 1.76 0.15 0.00 0.43 0.00 0.00 52.55 55.00 1j54 s ASP 155 Cb -0.12 -2.54 0.31 0.00 -0.30 0.00 0.00 42.92 40.28 1j54 s ASP 155 CO 0.02 -0.91 1.15 -0.46 -0.17 0.00 0.00 175.17 174.80 1j54 n ASN 156 N 7.14 1.40 0.24 -0.34 6.94 -1.26 -4.79 115.26 124.58 1j54 n ASN 156 Ca 0.16 -2.91 0.11 0.00 -0.02 0.00 0.00 54.58 51.92 1j54 n ASN 156 Cb 0.45 -0.39 0.60 0.00 -2.36 0.00 0.00 39.78 38.07 1j54 n ASN 156 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 1j54 h SER 157 N 0.56 0.00 -0.47 0.53 4.64 -2.04 -2.01 113.55 114.76 1j54 h SER 157 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1j54 h SER 157 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1j54 h SER 157 CO 0.02 0.18 0.00 0.29 -0.87 0.00 0.00 176.83 176.45 1j54 n LYS 158 N -3.55 2.27 -1.57 4.77 4.01 -1.26 -4.41 118.16 118.41 1j54 n LYS 158 Ca -0.01 -1.77 -0.34 0.00 -0.51 0.00 0.00 58.31 55.68 1j54 n LYS 158 Cb 0.33 -1.44 0.06 0.00 -0.51 0.00 0.00 35.03 33.46 1j54 n LYS 158 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1j54 n ARG 159 N 0.86 2.88 -0.17 1.97 0.63 -0.76 -4.59 116.66 117.48 1j54 n ARG 159 Ca 0.16 -3.52 -0.08 0.00 -0.92 0.00 0.00 57.85 53.50 1j54 n ARG 159 Cb 0.46 -2.28 0.01 0.00 0.45 0.00 0.00 32.46 31.10 1j54 n ARG 159 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 1j54 h THR 160 N 1.40 1.19 -3.65 5.15 2.02 -1.81 -3.40 112.91 113.82 1j54 h THR 160 Ca 0.55 -0.53 -0.68 0.00 0.77 0.00 0.00 66.41 66.52 1j54 h THR 160 Cb 0.82 0.63 -0.21 0.00 -1.74 0.00 0.00 68.15 67.65 1j54 h THR 160 CO 1.41 0.21 -0.71 -0.76 0.37 0.00 0.00 175.52 176.04 1j54 s LEU 161 N -9.89 3.05 0.47 2.58 1.43 -1.26 -5.02 118.68 110.05 1j54 s LEU 161 Ca -0.13 -0.10 -0.20 0.00 -1.03 0.00 0.00 54.13 52.67 1j54 s LEU 161 Cb 0.11 -1.67 -0.09 0.00 0.03 0.00 0.00 46.19 44.58 1j54 s LEU 161 CO 0.76 0.32 1.02 -1.00 0.23 0.00 0.00 176.35 177.68 1j54 s HIS 162 N -0.53 3.07 -0.01 0.29 3.76 -0.20 -4.96 115.29 116.70 1j54 s HIS 162 Ca 0.08 1.58 -0.03 0.00 -0.15 0.00 0.00 55.06 56.54 1j54 s HIS 162 Cb -0.12 -3.02 0.00 0.00 1.11 0.00 0.00 32.58 30.55 1j54 s HIS 162 CO 0.02 -0.67 0.07 0.20 -0.85 0.00 0.00 174.74 173.51 1j54 s GLY 163 N -2.03 0.03 0.08 -2.22 0.00 -1.26 -4.35 107.32 97.57 1j54 s GLY 163 Ca 0.66 -0.03 -0.24 0.00 0.00 0.00 0.00 44.72 45.12 1j54 s GLY 163 CO 0.18 -0.09 1.70 0.00 0.00 0.00 0.00 173.10 174.90 1j54 h ALA 164 N 5.36 -0.05 -0.33 3.20 0.00 -1.88 0.49 119.26 126.04 1j54 h ALA 164 Ca -0.27 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.46 1j54 h ALA 164 Cb 1.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 1j54 h ALA 164 CO 0.44 -0.51 -0.36 1.25 0.00 0.00 0.00 179.25 180.06 1j54 h LEU 165 N -0.08 0.89 -0.27 0.00 5.85 -1.84 -0.38 115.31 119.48 1j54 h LEU 165 Ca -0.00 -0.48 0.03 0.00 0.84 0.00 0.00 57.88 58.27 1j54 h LEU 165 Cb 0.07 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.81 1j54 h LEU 165 CO 0.01 1.19 0.07 0.25 -0.34 0.00 0.00 178.44 179.62 1j54 h LEU 166 N 0.61 0.05 -0.80 2.25 5.85 -1.94 -0.35 115.31 120.98 1j54 h LEU 166 Ca 0.05 0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1j54 h LEU 166 Cb 0.95 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 1j54 h LEU 166 CO 0.09 0.06 -0.11 0.44 -0.34 0.00 0.00 178.44 178.58 1j54 h ASP 167 N 0.18 0.78 -0.53 1.25 5.19 0.07 -2.14 116.42 121.21 1j54 h ASP 167 Ca 0.12 -0.23 -0.10 0.00 -0.62 0.00 0.00 57.03 56.20 1j54 h ASP 167 Cb 0.11 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.40 1j54 h ASP 167 CO -0.15 0.91 -0.08 0.00 -3.12 0.00 0.00 179.24 176.80 1j54 h ALA 168 N 1.16 0.72 -0.35 3.45 0.00 -0.66 -0.49 119.26 123.10 1j54 h ALA 168 Ca 0.12 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1j54 h ALA 168 Cb 0.59 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1j54 h ALA 168 CO 0.04 0.61 0.11 1.96 0.00 0.00 0.00 179.25 181.97 1j54 h GLN 169 N 0.86 0.55 -0.36 0.00 1.08 -0.94 -0.06 115.11 116.23 1j54 h GLN 169 Ca 0.14 -0.12 -0.02 0.00 -1.45 0.00 0.00 58.65 57.20 1j54 h GLN 169 Cb 0.64 -0.08 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1j54 h GLN 169 CO 0.04 0.58 0.14 0.82 -0.95 0.00 0.00 178.83 179.46 1j54 h ILE 170 N 0.42 1.20 -0.58 2.54 2.04 -1.29 -2.33 117.51 119.50 1j54 h ILE 170 Ca 0.11 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.34 1j54 h ILE 170 Cb 0.26 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1j54 h ILE 170 CO -0.00 0.22 0.28 0.25 0.00 0.00 0.00 178.15 178.90 1j54 h LEU 171 N 0.44 0.72 -0.22 1.44 5.85 -0.92 -0.50 115.31 122.13 1j54 h LEU 171 Ca 0.12 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1j54 h LEU 171 Cb 0.21 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.04 1j54 h LEU 171 CO -0.01 0.61 0.14 0.00 -0.34 0.00 0.00 178.44 178.85 1j54 h ALA 172 N 1.50 0.28 -0.47 1.25 0.00 -0.63 0.38 119.26 121.57 1j54 h ALA 172 Ca 0.20 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1j54 h ALA 172 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1j54 h ALA 172 CO -0.03 -0.24 0.25 0.93 0.00 0.00 0.00 179.25 180.15 1j54 h GLU 173 N 0.29 0.66 -0.06 0.00 5.08 -0.90 -0.99 114.58 118.67 1j54 h GLU 173 Ca 0.08 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1j54 h GLU 173 Cb -0.03 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.09 1j54 h GLU 173 CO -0.02 0.53 0.03 0.28 -1.00 0.00 0.00 179.01 178.84 1j54 h VAL 174 N 0.62 1.09 -0.59 3.13 2.07 -0.73 -2.22 116.25 119.61 1j54 h VAL 174 Ca 0.16 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 1j54 h VAL 174 Cb 0.07 1.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 1j54 h VAL 174 CO -0.02 0.07 0.17 0.22 0.02 0.00 0.00 177.57 178.03 1j54 h TYR 175 N -0.01 0.92 -0.70 1.57 3.20 -0.11 0.15 116.97 121.99 1j54 h TYR 175 Ca 0.02 -0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.75 1j54 h TYR 175 Cb 0.09 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 38.06 1j54 h TYR 175 CO -0.04 0.75 0.20 -0.07 -1.64 0.00 0.00 178.16 177.35 1j54 h LEU 176 N 0.87 1.04 -0.41 2.82 3.38 -1.08 -1.08 115.31 120.85 1j54 h LEU 176 Ca 0.19 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.79 1j54 h LEU 176 Cb 0.27 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1j54 h LEU 176 CO -0.01 0.99 -0.32 0.00 0.09 0.00 0.00 178.44 179.19 1j54 h ALA 177 N 1.09 0.60 -0.55 1.53 0.00 -0.88 0.35 119.26 121.40 1j54 h ALA 177 Ca 0.22 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 1j54 h ALA 177 Cb 0.34 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1j54 h ALA 177 CO -0.00 0.66 0.24 1.98 0.00 0.00 0.00 179.25 182.13 1j54 h MET 178 N 0.78 0.78 -0.72 0.00 4.05 -0.43 -2.25 114.93 117.14 1j54 h MET 178 Ca 0.08 -0.10 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 1j54 h MET 178 Cb 0.92 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.57 1j54 h MET 178 CO 0.09 0.62 0.00 0.25 0.23 0.00 0.00 176.91 178.10 1j54 n THR 179 N -4.35 0.99 0.73 -0.77 -2.24 -0.43 -5.09 114.28 103.12 1j54 n THR 179 Ca 0.05 -0.99 0.09 0.00 -2.27 0.00 0.00 64.05 60.92 1j54 n THR 179 Cb 0.14 0.51 0.07 0.00 -2.10 0.00 0.00 70.33 68.96 1j54 n THR 179 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11