#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u58 n SER 9 N 0.00 0.00 0.00 4.31 3.41 -1.26 -4.95 113.62 115.13 1u58 n SER 9 Ca 0.00 0.17 0.00 0.00 -0.26 0.00 0.00 58.87 58.78 1u58 n SER 9 Cb 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1u58 n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1u58 n GLY 10 N -0.46 0.24 3.50 5.00 0.00 -1.26 -4.53 105.19 107.67 1u58 n GLY 10 Ca 0.04 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.71 1u58 n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1u58 s LEU 11 N 0.00 4.73 -0.02 0.99 2.96 -0.11 -0.01 118.68 127.21 1u58 s LEU 11 Ca 0.00 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.41 1u58 s LEU 11 Cb 0.00 -2.46 -0.00 0.00 0.50 0.00 0.00 46.19 44.23 1u58 s LEU 11 CO 0.00 -0.59 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.20 1u58 s ARG 12 N 2.26 1.05 -0.12 1.98 1.81 -0.53 -0.05 118.95 125.35 1u58 s ARG 12 Ca 0.14 -0.37 0.02 0.00 -1.72 0.00 0.00 55.73 53.80 1u58 s ARG 12 Cb -0.16 -0.97 -0.01 0.00 -0.45 0.00 0.00 34.95 33.35 1u58 s ARG 12 CO 0.14 0.17 -0.18 0.71 -0.68 0.00 0.00 175.30 175.46 1u58 s TYR 13 N 0.04 2.70 -0.42 -0.53 2.02 0.14 -0.78 117.35 120.53 1u58 s TYR 13 Ca -0.01 -0.81 -0.13 0.00 -0.37 0.00 0.00 57.07 55.75 1u58 s TYR 13 Cb -0.08 -1.79 0.05 0.00 -0.40 0.00 0.00 41.96 39.75 1u58 s TYR 13 CO 0.00 -0.30 0.29 0.00 -1.57 0.00 0.00 175.55 173.98 1u58 s ALA 14 N 0.34 3.40 -0.07 3.71 0.00 -0.00 -1.68 121.76 127.45 1u58 s ALA 14 Ca -0.14 -1.95 -0.03 0.00 0.00 0.00 0.00 51.96 49.85 1u58 s ALA 14 Cb -0.17 -2.80 -0.04 0.00 0.00 0.00 0.00 23.12 20.11 1u58 s ALA 14 CO 0.07 -1.57 0.06 0.71 0.00 0.00 0.00 175.76 175.03 1u58 s TYR 15 N 1.57 3.30 -0.04 0.00 2.02 0.67 -2.20 117.35 122.66 1u58 s TYR 15 Ca 0.03 0.28 0.01 0.00 -0.37 0.00 0.00 57.07 57.02 1u58 s TYR 15 Cb -0.22 -1.81 0.02 0.00 -0.40 0.00 0.00 41.96 39.56 1u58 s TYR 15 CO 0.06 0.56 -0.05 0.99 -1.57 0.00 0.00 175.55 175.54 1u58 s THR 16 N -1.01 0.55 -0.10 -0.71 2.01 -0.11 -0.85 115.64 115.43 1u58 s THR 16 Ca 0.16 -0.15 0.03 0.00 0.31 0.00 0.00 61.69 62.05 1u58 s THR 16 Cb -0.12 -0.56 -0.01 0.00 0.01 0.00 0.00 72.50 71.83 1u58 s THR 16 CO 0.06 0.22 -0.21 -0.22 -0.69 0.00 0.00 174.62 173.78 1u58 s LEU 17 N 0.80 2.27 -0.10 4.42 2.96 0.50 -1.05 118.68 128.47 1u58 s LEU 17 Ca -0.11 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.34 1u58 s LEU 17 Cb -0.14 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 1u58 s LEU 17 CO 0.00 0.19 -0.14 0.68 -1.32 0.00 0.00 176.35 175.76 1u58 s VAL 18 N 0.18 3.00 -0.23 1.68 -7.23 -0.54 -0.11 120.40 117.15 1u58 s VAL 18 Ca -0.12 -0.70 -0.01 0.00 -1.81 0.00 0.00 61.98 59.34 1u58 s VAL 18 Cb -0.16 -2.23 0.03 0.00 0.56 0.00 0.00 36.38 34.57 1u58 s VAL 18 CO 0.07 0.55 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.61 1u58 s VAL 19 N 0.03 2.63 -0.49 1.32 1.01 -0.09 -2.28 120.40 122.52 1u58 s VAL 19 Ca -0.05 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.77 1u58 s VAL 19 Cb -0.14 -2.30 0.11 0.00 0.00 0.00 0.00 36.38 34.05 1u58 s VAL 19 CO 0.04 0.27 0.39 -0.62 0.00 0.00 0.00 175.10 175.18 1u58 s ASP 20 N 1.30 5.90 0.23 3.32 -1.08 0.20 -4.61 116.67 121.93 1u58 s ASP 20 Ca 0.01 -1.77 0.05 0.00 -0.52 0.00 0.00 52.55 50.32 1u58 s ASP 20 Cb -0.16 -2.09 0.22 0.00 -1.46 0.00 0.00 42.92 39.43 1u58 s ASP 20 CO -0.06 -0.73 1.54 1.23 0.52 0.00 0.00 175.17 177.67 1u58 h GLY 21 N 8.62 0.22 0.00 2.66 0.00 -1.93 -1.49 103.07 111.15 1u58 h GLY 21 Ca -0.25 -0.29 0.00 0.00 0.00 0.00 0.00 47.33 46.79 1u58 h GLY 21 CO 0.91 0.26 0.00 -0.37 0.00 0.00 0.00 176.54 177.34 1u58 n THR 22 N -3.83 0.00 -0.71 4.70 5.66 -1.26 -4.18 114.28 114.66 1u58 n THR 22 Ca -0.02 0.63 -0.08 0.00 -3.05 0.00 0.00 64.05 61.53 1u58 n THR 22 Cb 0.65 -1.37 -0.11 0.00 -1.55 0.00 0.00 70.33 67.95 1u58 n THR 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1u58 n ALA 23 N -1.39 4.90 0.00 1.79 0.00 -1.25 -4.87 120.51 119.68 1u58 n ALA 23 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 53.44 52.25 1u58 n ALA 23 Cb 0.00 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.32 1u58 n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1u58 n ASN 24 N 2.45 0.00 -3.70 0.00 4.13 -1.10 -4.92 115.26 112.12 1u58 n ASN 24 Ca 0.28 0.00 -0.18 0.00 1.68 0.00 0.00 54.58 56.36 1u58 n ASN 24 Cb 0.66 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.73 1u58 n ASN 24 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1u58 s THR 25 N 0.00 -0.11 -0.18 3.41 2.01 -0.58 -5.00 115.64 115.19 1u58 s THR 25 Ca 0.00 0.36 -0.05 0.00 0.31 0.00 0.00 61.69 62.31 1u58 s THR 25 Cb 0.00 -0.15 0.07 0.00 0.01 0.00 0.00 72.50 72.42 1u58 s THR 25 CO 0.00 0.15 0.11 0.00 -0.69 0.00 0.00 174.62 174.19 1u58 s ARG 26 N 1.86 0.08 0.02 4.92 1.70 -1.26 0.58 118.95 126.85 1u58 s ARG 26 Ca 0.01 -0.04 0.07 0.00 -0.47 0.00 0.00 55.73 55.29 1u58 s ARG 26 Cb -0.12 -1.72 -0.02 0.00 -0.57 0.00 0.00 34.95 32.51 1u58 s ARG 26 CO -0.03 -0.67 -0.20 -0.98 -1.08 0.00 0.00 175.30 172.33 1u58 s ARG 27 N 2.17 1.47 -0.08 3.89 1.70 -0.97 -4.98 118.95 122.15 1u58 s ARG 27 Ca 0.03 -0.84 0.02 0.00 -0.47 0.00 0.00 55.73 54.47 1u58 s ARG 27 Cb -0.16 -1.51 -0.02 0.00 -0.57 0.00 0.00 34.95 32.69 1u58 s ARG 27 CO -0.10 0.40 -0.13 0.00 -1.08 0.00 0.00 175.30 174.39 1u58 s PHE 29 N -0.33 0.47 0.21 0.00 -0.12 -0.22 -4.24 117.98 113.75 1u58 s PHE 29 Ca 0.03 -0.55 -0.15 0.00 -0.05 0.00 0.00 56.93 56.21 1u58 s PHE 29 Cb -0.13 -0.30 0.01 0.00 -0.63 0.00 0.00 43.02 41.97 1u58 s PHE 29 CO 0.02 -0.15 0.47 0.20 -0.05 0.00 0.00 175.22 175.72 1u58 s GLY 30 N -1.63 0.17 0.01 1.99 0.00 0.14 -0.93 107.32 107.07 1u58 s GLY 30 Ca -0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 44.72 44.09 1u58 s GLY 30 CO -0.01 -0.46 -0.00 -0.51 0.00 0.00 0.00 173.10 172.12 1u58 s THR 31 N -3.93 0.05 0.03 0.90 -4.23 -0.94 -0.07 115.64 107.46 1u58 s THR 31 Ca 0.14 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.25 1u58 s THR 31 Cb -0.00 -0.15 -0.04 0.00 1.34 0.00 0.00 72.50 73.65 1u58 s THR 31 CO 0.01 -0.24 -0.07 -0.83 -0.54 0.00 0.00 174.62 172.95 1u58 s GLY 32 N -0.72 1.77 0.02 3.99 0.00 0.13 -0.82 107.32 111.69 1u58 s GLY 32 Ca -0.08 -1.08 0.02 0.00 0.00 0.00 0.00 44.72 43.58 1u58 s GLY 32 CO -0.00 -0.98 -0.07 0.30 0.00 0.00 0.00 173.10 172.34 1u58 s HIS 33 N -1.07 0.66 -0.29 1.90 3.76 0.04 -0.50 115.29 119.78 1u58 s HIS 33 Ca 0.19 -0.27 -0.02 0.00 -0.15 0.00 0.00 55.06 54.80 1u58 s HIS 33 Cb -0.11 -0.40 0.04 0.00 1.11 0.00 0.00 32.58 33.21 1u58 s HIS 33 CO 0.10 -0.03 -0.01 0.08 -0.85 0.00 0.00 174.74 174.03 1u58 s VAL 34 N -0.67 3.02 -1.46 -0.90 1.01 -0.18 -1.46 120.40 119.76 1u58 s VAL 34 Ca -0.02 -1.25 -0.08 0.00 0.00 0.00 0.00 61.98 60.64 1u58 s VAL 34 Cb -0.06 -2.67 0.05 0.00 0.00 0.00 0.00 36.38 33.70 1u58 s VAL 34 CO 0.00 -0.01 0.76 0.47 0.00 0.00 0.00 175.10 176.32 1u58 n ASP 35 N 4.65 -2.63 0.00 3.32 8.00 0.98 -1.61 116.55 129.26 1u58 n ASP 35 Ca -0.14 -0.86 0.00 0.00 0.71 0.00 0.00 54.79 54.49 1u58 n ASP 35 Cb 0.45 -3.64 0.00 0.00 -0.02 0.00 0.00 41.12 37.91 1u58 n ASP 35 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u58 n GLY 36 N -1.68 2.66 3.59 0.44 0.00 -1.26 -4.49 105.19 104.45 1u58 n GLY 36 Ca -0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.51 1u58 n GLY 36 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1u58 s GLU 37 N -0.60 3.94 0.37 1.61 2.56 -0.64 -4.98 118.70 120.97 1u58 s GLU 37 Ca 0.00 -0.28 -0.27 0.00 0.00 0.00 0.00 54.97 54.42 1u58 s GLU 37 Cb 0.00 -3.67 -0.10 0.00 2.00 0.00 0.00 34.13 32.37 1u58 s GLU 37 CO 0.00 -0.21 1.32 0.00 -0.56 0.00 0.00 175.26 175.81 1u58 s ALA 38 N 1.81 3.40 0.00 6.30 0.00 -1.26 -1.01 121.76 130.99 1u58 s ALA 38 Ca 0.08 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.31 1u58 s ALA 38 Cb -0.16 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1u58 s ALA 38 CO 0.11 -0.75 0.00 1.97 0.00 0.00 0.00 175.76 177.09 1u58 n PHE 39 N 0.47 0.00 -3.76 0.00 1.16 0.34 -4.35 117.46 111.32 1u58 n PHE 39 Ca 0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 57.45 55.47 1u58 n PHE 39 Cb 0.42 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.19 1u58 n PHE 39 CO 0.00 0.00 0.00 0.14 -1.87 0.00 0.00 176.76 175.03 1u58 s VAL 40 N -0.54 0.01 -0.02 1.97 -7.23 -1.18 -0.59 120.40 112.82 1u58 s VAL 40 Ca 0.00 -0.05 0.05 0.00 -1.81 0.00 0.00 61.98 60.17 1u58 s VAL 40 Cb 0.00 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.44 1u58 s VAL 40 CO 0.00 -0.03 -0.16 -0.83 -0.31 0.00 0.00 175.10 173.77 1u58 s GLY 41 N 0.03 0.81 -0.10 2.32 0.00 -0.12 -0.69 107.32 109.57 1u58 s GLY 41 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1u58 s GLY 41 CO 0.01 -0.50 -0.09 -0.47 0.00 0.00 0.00 173.10 172.04 1u58 s TYR 42 N -0.25 1.48 -0.16 1.90 5.04 0.90 -0.65 117.35 125.61 1u58 s TYR 42 Ca 0.03 -0.68 -0.29 0.00 -2.44 0.00 0.00 57.07 53.69 1u58 s TYR 42 Cb -0.08 -1.18 0.09 0.00 0.35 0.00 0.00 41.96 41.14 1u58 s TYR 42 CO 0.00 -0.44 0.83 -1.54 -1.34 0.00 0.00 175.55 173.06 1u58 s SER 43 N 1.38 -0.56 -1.48 4.32 1.04 -0.83 -0.68 113.70 116.89 1u58 s SER 43 Ca -0.01 0.80 -0.03 0.00 0.48 0.00 0.00 55.95 57.18 1u58 s SER 43 Cb -0.14 0.71 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1u58 s SER 43 CO -0.05 -0.39 0.44 0.59 0.98 0.00 0.00 173.24 174.82 1u58 n ASN 44 N 1.41 -5.73 -0.67 7.02 3.02 -1.26 -2.88 115.26 116.17 1u58 n ASN 44 Ca -0.15 -0.21 -0.08 0.00 -0.03 0.00 0.00 54.58 54.12 1u58 n ASN 44 Cb 0.57 -4.60 -0.03 0.00 -0.61 0.00 0.00 39.78 35.11 1u58 n ASN 44 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1u58 n ASN 45 N -2.06 -3.63 -3.79 6.41 3.02 -1.26 -5.00 115.26 108.94 1u58 n ASN 45 Ca -0.13 0.14 -0.13 0.00 -0.03 0.00 0.00 54.58 54.43 1u58 n ASN 45 Cb 0.63 -2.12 -0.09 0.00 -0.61 0.00 0.00 39.78 37.58 1u58 n ASN 45 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1u58 s LYS 46 N -3.12 0.55 0.01 3.52 1.02 -1.14 -5.10 119.74 115.48 1u58 s LYS 46 Ca 0.00 -0.12 0.04 0.00 0.02 0.00 0.00 55.97 55.91 1u58 s LYS 46 Cb 0.00 0.24 -0.03 0.00 -0.52 0.00 0.00 37.83 37.52 1u58 s LYS 46 CO 0.00 -0.13 -0.08 0.99 -0.92 0.00 0.00 175.35 175.20 1u58 s THR 47 N -1.02 3.51 0.04 2.17 2.01 -1.26 -1.96 115.64 119.13 1u58 s THR 47 Ca -0.11 -0.86 0.01 0.00 0.31 0.00 0.00 61.69 61.04 1u58 s THR 47 Cb -0.05 -2.53 -0.02 0.00 0.01 0.00 0.00 72.50 69.91 1u58 s THR 47 CO 0.03 0.37 -0.06 -1.38 -0.69 0.00 0.00 174.62 172.89 1u58 s HIS 48 N -1.00 0.51 0.66 4.92 -3.43 0.18 -4.99 115.29 112.15 1u58 s HIS 48 Ca 0.17 -0.56 -0.12 0.00 -0.80 0.00 0.00 55.06 53.75 1u58 s HIS 48 Cb -0.11 -0.32 -0.01 0.00 -1.43 0.00 0.00 32.58 30.71 1u58 s HIS 48 CO 0.08 -0.14 1.05 0.20 -2.00 0.00 0.00 174.74 173.93 1u58 s GLY 49 N -1.66 1.75 0.01 -1.38 0.00 -1.26 -0.95 107.32 103.83 1u58 s GLY 49 Ca -0.11 0.11 0.02 0.00 0.00 0.00 0.00 44.72 44.74 1u58 s GLY 49 CO -0.01 0.41 -0.06 -0.42 0.00 0.00 0.00 173.10 173.02 1u58 s ILE 50 N -2.96 0.48 0.00 0.90 1.01 0.24 -4.77 121.20 116.11 1u58 s ILE 50 Ca 0.58 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.67 1u58 s ILE 50 Cb -0.14 -0.47 0.00 0.00 0.01 0.00 0.00 42.46 41.87 1u58 s ILE 50 CO 0.51 -0.07 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1u58 n GLY 51 N 2.36 -1.81 0.29 6.18 0.00 -1.26 -4.17 105.19 106.78 1u58 n GLY 51 Ca -0.17 -1.54 0.03 0.00 0.00 0.00 0.00 46.02 44.35 1u58 n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u58 n ARG 52 N 0.00 0.45 -0.02 1.61 1.74 -1.26 -4.50 116.66 114.68 1u58 n ARG 52 Ca 0.00 -1.06 -0.01 0.00 -0.77 0.00 0.00 57.85 56.01 1u58 n ARG 52 Cb 0.00 -1.13 -0.04 0.00 -1.02 0.00 0.00 32.46 30.27 1u58 n ARG 52 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1u58 n TRP 53 N 0.33 0.00 -2.17 -1.55 4.27 -1.26 -4.84 117.44 112.22 1u58 n TRP 53 Ca 0.04 0.00 -0.40 0.00 -3.89 0.00 0.00 57.50 53.26 1u58 n TRP 53 Cb 0.20 -0.20 -0.02 0.00 -1.36 0.00 0.00 31.31 29.93 1u58 n TRP 53 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1u58 s VAL 54 N -2.16 2.85 0.44 -1.67 0.11 -1.26 -5.04 120.40 113.66 1u58 s VAL 54 Ca -0.02 0.80 0.06 0.00 -2.93 0.00 0.00 61.98 59.88 1u58 s VAL 54 Cb 0.02 -3.48 -0.06 0.00 -1.53 0.00 0.00 36.38 31.33 1u58 s VAL 54 CO 0.19 0.14 0.04 0.54 -3.33 0.00 0.00 175.10 172.69 1u58 s ASN 55 N -0.75 4.03 0.51 3.54 2.20 -1.26 -4.96 114.94 118.25 1u58 s ASN 55 Ca 0.53 -1.39 0.17 0.00 -0.94 0.00 0.00 52.86 51.23 1u58 s ASN 55 Cb -0.36 -0.19 1.26 0.00 -2.00 0.00 0.00 41.25 39.96 1u58 s ASN 55 CO 0.47 -0.57 2.12 0.00 -2.94 0.00 0.00 177.10 176.18 1u58 h ALA 56 N 1.60 1.85 -0.25 3.54 0.00 -1.99 -1.56 119.26 122.46 1u58 h ALA 56 Ca -0.44 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1u58 h ALA 56 Cb 1.26 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1u58 h ALA 56 CO 0.77 0.07 -0.15 0.77 0.00 0.00 0.00 179.25 180.71 1u58 h SER 57 N 0.00 0.56 -0.37 0.00 0.02 -2.00 -1.29 113.55 110.48 1u58 h SER 57 Ca -0.00 -0.43 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1u58 h SER 57 Cb 0.10 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 1u58 h SER 57 CO 0.01 0.86 0.23 0.45 -1.14 0.00 0.00 176.83 177.24 1u58 h HIS 58 N 0.26 0.48 -0.49 3.45 3.86 -1.82 -2.67 115.15 118.22 1u58 h HIS 58 Ca 0.05 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.34 1u58 h HIS 58 Cb 0.67 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.92 1u58 h HIS 58 CO 0.07 0.33 0.15 0.28 0.86 0.00 0.00 177.93 179.62 1u58 h VAL 59 N 0.48 0.80 -0.85 2.45 2.07 -1.14 0.16 116.25 120.22 1u58 h VAL 59 Ca 0.13 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 1u58 h VAL 59 Cb -0.01 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.18 1u58 h VAL 59 CO -0.03 0.06 0.43 -0.08 0.02 0.00 0.00 177.57 177.97 1u58 h GLU 60 N 0.31 1.21 -0.49 1.57 4.81 -1.10 0.10 114.58 120.98 1u58 h GLU 60 Ca 0.24 -0.16 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 1u58 h GLU 60 Cb 0.28 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1u58 h GLU 60 CO -0.27 0.91 -0.17 0.93 -0.73 0.00 0.00 179.01 179.68 1u58 h GLU 61 N 1.20 0.95 -0.57 1.92 5.08 -1.10 -2.88 114.58 119.19 1u58 h GLU 61 Ca 0.29 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1u58 h GLU 61 Cb 0.08 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1u58 h GLU 61 CO -0.04 1.04 0.04 0.93 -1.00 0.00 0.00 179.01 179.98 1u58 h GLU 62 N 0.84 0.97 -0.80 2.33 4.39 -0.80 -3.01 114.58 118.51 1u58 h GLU 62 Ca 0.12 -0.29 0.11 0.00 0.34 0.00 0.00 59.36 59.64 1u58 h GLU 62 Cb 0.72 -0.10 -0.08 0.00 -0.10 0.00 0.00 28.75 29.20 1u58 h GLU 62 CO 0.06 0.95 0.42 -0.97 -1.16 0.00 0.00 179.01 178.31 1u58 h ASN 63 N 0.86 0.55 -0.43 1.42 -0.73 -0.64 -0.84 115.58 115.78 1u58 h ASN 63 Ca 0.17 0.07 0.03 0.00 1.87 0.00 0.00 56.30 58.44 1u58 h ASN 63 Cb 0.49 -0.03 -0.04 0.00 0.27 0.00 0.00 38.32 39.01 1u58 h ASN 63 CO 0.02 0.29 0.21 0.11 -0.37 0.00 0.00 177.43 177.70 1u58 h LYS 64 N 0.67 0.42 -0.24 6.67 1.79 -1.38 -1.29 116.57 123.21 1u58 h LYS 64 Ca 0.40 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.85 1u58 h LYS 64 Cb 0.46 -0.09 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1u58 h LYS 64 CO -0.29 0.28 0.16 0.93 -1.08 0.00 0.00 179.45 179.45 1u58 h GLU 65 N 0.43 0.32 -0.46 3.15 4.39 -1.37 -2.62 114.58 118.42 1u58 h GLU 65 Ca 0.18 -0.02 0.05 0.00 0.34 0.00 0.00 59.36 59.91 1u58 h GLU 65 Cb 0.09 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.62 1u58 h GLU 65 CO -0.13 0.22 0.20 0.74 -1.16 0.00 0.00 179.01 178.88 1u58 h PHE 66 N 0.33 0.36 -0.47 4.33 0.04 -0.71 -1.05 116.94 119.77 1u58 h PHE 66 Ca 0.09 0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 1u58 h PHE 66 Cb -0.04 -0.09 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 1u58 h PHE 66 CO -0.06 0.16 0.23 0.28 -0.60 0.00 0.00 178.31 178.32 1u58 h VAL 67 N 0.40 1.18 0.03 -0.55 2.07 -1.22 -0.84 116.25 117.32 1u58 h VAL 67 Ca 0.21 -0.50 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1u58 h VAL 67 Cb 0.16 0.65 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1u58 h VAL 67 CO -0.18 0.20 -0.01 -0.09 0.02 0.00 0.00 177.57 177.51 1u58 h ARG 68 N 0.62 -0.03 -0.87 1.57 2.43 -1.27 -2.02 114.38 114.81 1u58 h ARG 68 Ca 0.16 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.31 1u58 h ARG 68 Cb 0.10 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.62 1u58 h ARG 68 CO -0.02 0.27 0.46 0.37 -1.51 0.00 0.00 179.97 179.53 1u58 h GLN 69 N -0.34 1.23 -0.75 0.20 5.75 -1.10 0.06 115.11 120.16 1u58 h GLN 69 Ca -0.00 -0.16 -0.02 0.00 -0.15 0.00 0.00 58.65 58.32 1u58 h GLN 69 Cb 0.32 -0.23 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 1u58 h GLN 69 CO 0.01 0.91 0.38 0.00 -2.65 0.00 0.00 178.83 177.48 1u58 h LYS 71 N 1.06 0.93 -0.23 0.00 1.63 -0.67 -2.33 116.57 116.97 1u58 h LYS 71 Ca 0.26 -0.39 -0.00 0.00 -0.85 0.00 0.00 60.65 59.67 1u58 h LYS 71 Cb 0.07 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 1u58 h LYS 71 CO -0.04 1.05 0.13 0.93 -3.45 0.00 0.00 179.45 178.07 1u58 h GLU 72 N 0.78 0.31 -0.78 1.90 5.08 -0.74 -1.19 114.58 119.93 1u58 h GLU 72 Ca 0.11 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 58.54 1u58 h GLU 72 Cb 0.74 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.85 1u58 h GLU 72 CO 0.06 0.28 0.42 -0.07 -1.00 0.00 0.00 179.01 178.70 1u58 h LEU 73 N 0.26 0.57 -0.39 1.33 4.07 -0.89 0.20 115.31 120.46 1u58 h LEU 73 Ca 0.08 0.06 -0.18 0.00 0.08 0.00 0.00 57.88 57.92 1u58 h LEU 73 Cb 0.06 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.74 1u58 h LEU 73 CO -0.01 0.31 -0.80 -0.61 -1.08 0.00 0.00 178.44 176.25 1u58 h GLN 74 N 0.69 0.18 -0.15 1.13 5.75 -1.24 -3.20 115.11 118.27 1u58 h GLN 74 Ca 0.39 -0.17 -0.22 0.00 -0.15 0.00 0.00 58.65 58.50 1u58 h GLN 74 Cb 0.41 0.04 0.01 0.00 1.07 0.00 0.00 27.48 29.02 1u58 h GLN 74 CO -0.27 0.88 -0.77 0.00 -2.65 0.00 0.00 178.83 176.02 1u58 h ALA 75 N 1.06 0.34 -0.11 3.38 0.00 -0.46 -2.04 119.26 121.42 1u58 h ALA 75 Ca -0.03 -0.60 -0.38 0.00 0.00 0.00 0.00 54.91 53.90 1u58 h ALA 75 Cb 1.39 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 1u58 h ALA 75 CO 0.12 0.69 0.90 -0.85 0.00 0.00 0.00 179.25 180.11 1u58 n GLU 76 N -3.93 2.62 0.00 0.00 0.28 0.63 -0.89 120.64 119.35 1u58 n GLU 76 Ca -0.07 -1.62 0.00 0.00 -0.16 0.00 0.00 57.16 55.30 1u58 n GLU 76 Cb 0.74 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 31.36 1u58 n GLU 76 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1u58 n LEU 77 N 2.48 0.00 0.06 -1.84 7.94 -1.24 -4.78 117.00 119.63 1u58 n LEU 77 Ca 0.54 0.00 0.03 0.00 -1.11 0.00 0.00 56.01 55.46 1u58 n LEU 77 Cb 0.66 0.00 0.40 0.00 0.53 0.00 0.00 43.42 45.01 1u58 n LEU 77 CO 0.36 0.00 1.00 0.44 -1.11 0.00 0.00 177.39 178.08 1u58 h ASP 78 N 0.00 0.35 0.15 1.96 3.32 -1.05 -2.61 116.42 118.54 1u58 h ASP 78 Ca 0.00 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.00 1u58 h ASP 78 Cb 0.00 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.46 1u58 h ASP 78 CO 0.00 0.39 -0.07 0.50 -1.72 0.00 0.00 179.24 178.34 1u58 h LYS 79 N 0.38 -0.19 -1.66 3.56 1.63 -1.29 -1.62 116.57 117.37 1u58 h LYS 79 Ca 0.09 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1u58 h LYS 79 Cb 0.20 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1u58 h LYS 79 CO 0.00 0.24 0.00 -1.33 -3.45 0.00 0.00 179.45 174.91 1u58 n MET 80 N -4.94 0.78 -0.15 1.90 2.81 -1.23 -4.76 117.12 111.53 1u58 n MET 80 Ca -0.08 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.81 1u58 n MET 80 Cb 0.27 -1.11 0.00 0.00 -0.71 0.00 0.00 33.22 31.67 1u58 n MET 80 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 1u58 n GLN 81 N 1.18 0.00 -0.37 0.03 0.00 -0.61 -3.43 117.38 114.17 1u58 n GLN 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 1u58 n GLN 81 Cb 0.39 -0.40 0.00 0.00 0.00 0.00 0.00 30.24 30.23 1u58 n GLN 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1u58 n ASN 82 N 1.05 0.00 -4.69 1.69 3.02 -1.25 -4.82 115.26 110.26 1u58 n ASN 82 Ca 0.00 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.24 1u58 n ASN 82 Cb 0.00 -2.05 0.15 0.00 -0.61 0.00 0.00 39.78 37.27 1u58 n ASN 82 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1u58 s ASN 83 N -1.76 3.22 0.22 6.41 3.04 -1.22 -3.75 114.94 121.10 1u58 s ASN 83 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 52.86 54.96 1u58 s ASN 83 Cb 0.00 -2.54 0.00 0.00 -1.54 0.00 0.00 41.25 37.17 1u58 s ASN 83 CO 0.00 -2.89 0.00 -0.24 -3.04 0.00 0.00 177.10 170.93 1u58 n SER 84 N -4.09 -4.76 -3.56 -4.21 2.88 -1.26 -4.51 113.62 94.10 1u58 n SER 84 Ca 0.11 0.81 -0.41 0.00 -1.33 0.00 0.00 58.87 58.05 1u58 n SER 84 Cb 0.52 -2.28 0.01 0.00 -0.75 0.00 0.00 64.21 61.71 1u58 n SER 84 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1u58 n LYS 85 N -2.70 5.00 0.00 -1.46 4.01 -1.26 -3.28 118.16 118.47 1u58 n LYS 85 Ca 0.01 -4.05 0.00 0.00 -0.51 0.00 0.00 58.31 53.76 1u58 n LYS 85 Cb 0.34 -2.56 0.00 0.00 -0.51 0.00 0.00 35.03 32.31 1u58 n LYS 85 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 1u58 n VAL 86 N 0.89 0.00 -1.68 -0.18 0.24 -1.26 -4.96 118.33 111.37 1u58 n VAL 86 Ca 0.55 -0.35 -0.43 0.00 -2.04 0.00 0.00 64.34 62.06 1u58 n VAL 86 Cb 0.25 1.13 -0.01 0.00 -1.47 0.00 0.00 33.84 33.74 1u58 n VAL 86 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u58 n ILE 87 N -0.39 1.61 0.00 1.34 0.13 -1.20 -1.51 119.36 119.34 1u58 n ILE 87 Ca 0.00 -0.40 0.00 0.00 -1.10 0.00 0.00 62.75 61.25 1u58 n ILE 87 Cb 0.03 -1.50 0.00 0.00 -0.84 0.00 0.00 39.64 37.34 1u58 n ILE 87 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1u58 n GLY 88 N 1.32 2.16 3.75 4.50 0.00 -1.26 -4.98 105.19 110.68 1u58 n GLY 88 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 1u58 n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u58 s VAL 89 N -2.21 2.14 -0.02 1.61 1.01 -0.57 -4.95 120.40 117.42 1u58 s VAL 89 Ca 0.00 0.12 0.07 0.00 0.00 0.00 0.00 61.98 62.17 1u58 s VAL 89 Cb 0.00 -3.08 -0.10 0.00 0.00 0.00 0.00 36.38 33.20 1u58 s VAL 89 CO 0.00 0.02 0.13 0.29 0.00 0.00 0.00 175.10 175.54 1u58 n LYS 90 N 1.96 0.60 -4.12 2.72 4.76 -1.26 -4.78 118.16 118.04 1u58 n LYS 90 Ca 0.07 -0.05 -0.23 0.00 -2.87 0.00 0.00 58.31 55.22 1u58 n LYS 90 Cb 0.38 -1.16 -0.17 0.00 -1.84 0.00 0.00 35.03 32.24 1u58 n LYS 90 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1u58 s THR 91 N -2.43 0.75 -0.10 -0.18 2.01 -1.26 -0.92 115.64 113.52 1u58 s THR 91 Ca -0.03 -0.19 0.01 0.00 0.31 0.00 0.00 61.69 61.80 1u58 s THR 91 Cb 0.04 -0.77 -0.02 0.00 0.01 0.00 0.00 72.50 71.76 1u58 s THR 91 CO 0.28 0.29 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.68 1u58 s VAL 92 N 1.25 3.07 0.09 3.82 1.01 0.85 -0.34 120.40 130.15 1u58 s VAL 92 Ca -0.05 -0.68 0.09 0.00 0.00 0.00 0.00 61.98 61.34 1u58 s VAL 92 Cb -0.14 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 1u58 s VAL 92 CO -0.02 0.55 -0.24 -1.10 0.00 0.00 0.00 175.10 174.30 1u58 s GLN 93 N -0.11 1.38 -0.02 2.72 -0.21 0.26 -0.37 119.66 123.29 1u58 s GLN 93 Ca -0.01 -1.16 -0.00 0.00 0.02 0.00 0.00 55.36 54.20 1u58 s GLN 93 Cb -0.14 -1.66 0.03 0.00 1.00 0.00 0.00 33.01 32.24 1u58 s GLN 93 CO 0.04 0.41 0.04 -1.17 -2.12 0.00 0.00 175.29 172.48 1u58 s LEU 94 N -1.67 0.87 -0.29 2.90 2.96 -0.03 -0.99 118.68 122.43 1u58 s LEU 94 Ca 0.10 0.05 -0.08 0.00 -0.22 0.00 0.00 54.13 53.99 1u58 s LEU 94 Cb -0.10 -0.08 0.00 0.00 0.50 0.00 0.00 46.19 46.52 1u58 s LEU 94 CO 0.04 -0.15 0.09 -0.62 -1.32 0.00 0.00 176.35 174.39 1u58 s ASP 95 N 1.30 5.21 0.02 3.68 2.15 -0.08 -0.24 116.67 128.72 1u58 s ASP 95 Ca -0.06 -0.60 0.02 0.00 0.43 0.00 0.00 52.55 52.33 1u58 s ASP 95 Cb -0.13 -1.91 -0.01 0.00 -0.30 0.00 0.00 42.92 40.57 1u58 s ASP 95 CO -0.03 -0.17 -0.06 0.54 -0.17 0.00 0.00 175.17 175.28 1u58 s VAL 96 N 1.54 0.43 -1.14 1.11 0.11 -0.68 -0.97 120.40 120.81 1u58 s VAL 96 Ca 0.04 -0.63 0.00 0.00 -2.93 0.00 0.00 61.98 58.46 1u58 s VAL 96 Cb -0.17 -0.44 0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1u58 s VAL 96 CO 0.03 -0.14 0.00 0.61 -3.33 0.00 0.00 175.10 172.27 1u58 n GLY 97 N 2.22 -0.13 3.48 6.54 0.00 -0.65 0.26 105.19 116.91 1u58 n GLY 97 Ca -0.18 -0.81 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 1u58 n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u58 n THR 99 N 1.93 0.00 0.14 0.00 -2.24 -1.26 -0.94 114.28 111.92 1u58 n THR 99 Ca -0.17 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.61 1u58 n THR 99 Cb 0.56 0.00 0.20 0.00 -2.10 0.00 0.00 70.33 68.99 1u58 n THR 99 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1u58 h SER 100 N 0.00 0.00 -1.87 3.42 4.64 -1.95 -3.46 113.55 114.33 1u58 h SER 100 Ca 0.00 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.70 1u58 h SER 100 Cb 0.00 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 61.96 1u58 h SER 100 CO 0.00 0.58 -0.64 -1.59 -0.87 0.00 0.00 176.83 174.31 1u58 s LYS 101 N -3.67 1.87 0.52 4.77 0.00 -1.26 -5.11 119.74 116.86 1u58 s LYS 101 Ca -0.01 -2.02 -0.21 0.00 0.00 0.00 0.00 55.97 53.73 1u58 s LYS 101 Cb 0.13 -1.63 -0.06 0.00 0.00 0.00 0.00 37.83 36.27 1u58 s LYS 101 CO 0.76 0.04 1.19 -1.50 0.00 0.00 0.00 175.35 175.83 1u58 s ILE 102 N -2.69 2.91 -0.09 3.79 -1.16 -1.26 -4.50 121.20 118.20 1u58 s ILE 102 Ca 0.34 0.62 -0.00 0.00 -0.51 0.00 0.00 60.65 61.10 1u58 s ILE 102 Cb 0.06 -3.28 0.02 0.00 0.61 0.00 0.00 42.46 39.87 1u58 s ILE 102 CO 0.17 -0.07 -0.06 -1.61 -2.81 0.00 0.00 174.94 170.57 1u58 s GLU 103 N -3.02 1.22 -0.20 3.50 0.41 -0.23 -4.89 118.70 115.48 1u58 s GLU 103 Ca 0.70 -0.16 -0.04 0.00 -0.41 0.00 0.00 54.97 55.06 1u58 s GLU 103 Cb -0.29 -1.30 0.10 0.00 -1.78 0.00 0.00 34.13 30.86 1u58 s GLU 103 CO 0.34 -0.21 0.29 0.21 -0.49 0.00 0.00 175.26 175.39 1u58 s LYS 104 N 1.52 0.24 -0.01 1.61 2.20 -1.25 -1.64 119.74 122.41 1u58 s LYS 104 Ca -0.00 0.46 0.01 0.00 -0.36 0.00 0.00 55.97 56.08 1u58 s LYS 104 Cb -0.13 -0.67 0.00 0.00 -1.51 0.00 0.00 37.83 35.52 1u58 s LYS 104 CO -0.05 -0.56 -0.04 -1.01 -0.36 0.00 0.00 175.35 173.33 1u58 s HIS 105 N 2.43 0.43 0.28 4.03 3.76 -0.14 -5.00 115.29 121.08 1u58 s HIS 105 Ca 0.07 -0.08 0.09 0.00 -0.15 0.00 0.00 55.06 55.00 1u58 s HIS 105 Cb -0.15 -0.32 -0.04 0.00 1.11 0.00 0.00 32.58 33.18 1u58 s HIS 105 CO -0.13 -0.04 0.02 0.71 -0.85 0.00 0.00 174.74 174.45 1u58 s TYR 106 N 0.12 2.68 -0.10 1.40 2.02 -1.26 -0.90 117.35 121.30 1u58 s TYR 106 Ca -0.01 -0.26 -0.11 0.00 -0.37 0.00 0.00 57.07 56.32 1u58 s TYR 106 Cb -0.04 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.27 1u58 s TYR 106 CO -0.00 0.57 0.31 0.00 -1.57 0.00 0.00 175.55 174.85 1u58 s ALA 107 N -2.36 -0.76 -0.16 3.71 0.00 -0.16 -2.03 121.76 120.00 1u58 s ALA 107 Ca 0.33 0.80 0.01 0.00 0.00 0.00 0.00 51.96 53.09 1u58 s ALA 107 Cb -0.05 -0.43 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1u58 s ALA 107 CO 0.20 -0.16 -0.17 0.71 0.00 0.00 0.00 175.76 176.34 1u58 s TYR 108 N -0.03 2.77 -1.64 0.00 2.02 0.09 -0.58 117.35 119.98 1u58 s TYR 108 Ca -0.02 -1.19 -0.19 0.00 -0.37 0.00 0.00 57.07 55.30 1u58 s TYR 108 Cb -0.03 -1.89 0.17 0.00 -0.40 0.00 0.00 41.96 39.82 1u58 s TYR 108 CO 0.01 -0.56 0.65 -0.25 -1.57 0.00 0.00 175.55 173.83 1u58 n ASP 109 N 4.19 -2.73 0.00 2.29 8.00 0.54 -1.53 116.55 127.31 1u58 n ASP 109 Ca -0.19 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.35 1u58 n ASP 109 Cb 0.51 -2.28 0.00 0.00 -0.02 0.00 0.00 41.12 39.33 1u58 n ASP 109 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u58 n GLY 110 N -1.20 0.72 3.34 0.44 0.00 -1.26 -5.03 105.19 102.20 1u58 n GLY 110 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 1u58 n GLY 110 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1u58 s ASN 111 N -2.94 4.21 0.30 1.61 2.47 -0.58 -5.05 114.94 114.95 1u58 s ASN 111 Ca 0.00 -0.35 -0.30 0.00 0.42 0.00 0.00 52.86 52.63 1u58 s ASN 111 Cb 0.00 -1.69 -0.11 0.00 -1.45 0.00 0.00 41.25 38.00 1u58 s ASN 111 CO 0.00 0.06 1.50 -0.70 -3.72 0.00 0.00 177.10 174.24 1u58 s GLU 112 N 0.98 4.19 0.19 0.43 2.12 -1.26 -0.74 118.70 124.60 1u58 s GLU 112 Ca -0.01 2.46 -0.01 0.00 0.36 0.00 0.00 54.97 57.77 1u58 s GLU 112 Cb -0.15 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 1u58 s GLU 112 CO -0.00 -0.51 0.13 -0.08 -0.54 0.00 0.00 175.26 174.26 1u58 s THR 113 N -0.31 0.02 -0.38 -1.70 -1.32 -0.86 -4.85 115.64 106.24 1u58 s THR 113 Ca 0.59 -1.96 -0.28 0.00 -1.21 0.00 0.00 61.69 58.82 1u58 s THR 113 Cb -0.45 -2.40 -0.02 0.00 -1.51 0.00 0.00 72.50 68.12 1u58 s THR 113 CO 0.50 -0.09 1.78 -1.61 -2.21 0.00 0.00 174.62 172.98 1u58 s GLU 114 N -4.13 3.24 0.00 7.08 0.41 -1.26 -4.19 118.70 119.85 1u58 s GLU 114 Ca 0.36 1.26 0.00 0.00 -0.41 0.00 0.00 54.97 56.18 1u58 s GLU 114 Cb 0.07 -4.21 0.00 0.00 -1.78 0.00 0.00 34.13 28.21 1u58 s GLU 114 CO 0.10 -1.97 0.00 0.00 -0.49 0.00 0.00 175.26 172.90 1u58 h GLN 129 N 0.00 1.07 -0.37 0.00 5.75 -1.95 -0.03 115.11 119.59 1u58 h GLN 129 Ca 0.00 -0.20 -0.16 0.00 -0.15 0.00 0.00 58.65 58.14 1u58 h GLN 129 Cb 0.00 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.37 1u58 h GLN 129 CO 0.00 0.89 -0.39 1.57 -2.65 0.00 0.00 178.83 178.25 1u58 h LYS 130 N 1.02 0.89 -0.55 1.69 -0.00 -2.00 -1.90 116.57 115.72 1u58 h LYS 130 Ca 0.23 -0.47 0.04 0.00 -0.00 0.00 0.00 60.65 60.46 1u58 h LYS 130 Cb 0.23 0.02 -0.04 0.00 -0.00 0.00 0.00 32.23 32.43 1u58 h LYS 130 CO -0.02 1.12 0.29 -0.22 -0.00 0.00 0.00 179.45 180.63 1u58 h LYS 131 N 0.73 0.55 -0.65 0.07 3.64 -1.96 0.81 116.57 119.76 1u58 h LYS 131 Ca 0.06 -0.03 0.06 0.00 -1.27 0.00 0.00 60.65 59.46 1u58 h LYS 131 Cb 0.98 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.62 1u58 h LYS 131 CO 0.09 0.37 0.35 1.25 -2.27 0.00 0.00 179.45 179.24 1u58 h LEU 132 N 0.57 0.52 -0.56 5.20 5.85 -0.89 0.17 115.31 126.16 1u58 h LEU 132 Ca 0.24 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.93 1u58 h LEU 132 Cb 0.12 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1u58 h LEU 132 CO -0.15 0.34 0.11 0.74 -0.34 0.00 0.00 178.44 179.14 1u58 h THR 133 N 0.66 1.25 -0.16 1.05 2.02 -0.68 -0.82 112.91 116.24 1u58 h THR 133 Ca 0.29 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1u58 h THR 133 Cb 0.19 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 1u58 h THR 133 CO -0.18 0.34 0.10 -0.08 0.37 0.00 0.00 175.52 176.07 1u58 h GLU 134 N 0.82 0.20 -0.42 6.66 4.81 -0.28 -2.96 114.58 123.41 1u58 h GLU 134 Ca 0.17 -0.01 -0.12 0.00 -0.13 0.00 0.00 59.36 59.27 1u58 h GLU 134 Cb 0.39 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.71 1u58 h GLU 134 CO 0.01 0.14 -0.22 1.88 -0.73 0.00 0.00 179.01 180.09 1u58 h TYR 135 N 0.21 1.02 -0.52 0.92 0.05 -0.52 -2.92 116.97 115.21 1u58 h TYR 135 Ca 0.06 -0.26 0.02 0.00 0.05 0.00 0.00 58.73 58.60 1u58 h TYR 135 Cb -0.02 -0.23 -0.03 0.00 1.01 0.00 0.00 36.73 37.45 1u58 h TYR 135 CO -0.07 1.05 0.34 0.00 -1.05 0.00 0.00 178.16 178.43 1u58 h ARG 136 N 0.71 0.62 -0.31 4.88 3.08 -1.14 0.22 114.38 122.45 1u58 h ARG 136 Ca 0.09 -0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1u58 h ARG 136 Cb 0.79 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1u58 h ARG 136 CO 0.06 0.41 0.21 0.87 -1.07 0.00 0.00 179.97 180.46 1u58 h LYS 137 N 0.64 0.22 0.00 0.04 1.57 -1.34 -2.94 116.57 114.75 1u58 h LYS 137 Ca 0.20 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.90 1u58 h LYS 137 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1u58 h LYS 137 CO -0.05 0.14 -0.60 -0.07 -0.57 0.00 0.00 179.45 178.30 1u58 h LEU 138 N 0.22 0.00 0.12 2.94 3.38 -0.55 -3.37 115.31 118.05 1u58 h LEU 138 Ca 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 1u58 h LEU 138 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1u58 h LEU 138 CO -0.02 0.29 -0.06 0.58 0.09 0.00 0.00 178.44 179.32 1u58 h VAL 139 N 0.00 0.98 -0.95 1.22 2.07 -1.27 -3.08 116.25 115.22 1u58 h VAL 139 Ca -0.03 -0.38 0.16 0.00 0.82 0.00 0.00 66.70 67.27 1u58 h VAL 139 Cb 1.25 1.22 -0.10 0.00 -1.52 0.00 0.00 31.29 32.14 1u58 h VAL 139 CO 0.03 0.09 0.56 -0.07 0.02 0.00 0.00 177.57 178.20 1u58 h LEU 140 N -0.34 0.73 -0.40 2.57 4.07 -1.72 -0.24 115.31 119.97 1u58 h LEU 140 Ca -0.02 0.09 0.00 0.00 0.08 0.00 0.00 57.88 58.03 1u58 h LEU 140 Cb 0.27 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.97 1u58 h LEU 140 CO 0.03 0.30 0.00 0.00 -1.08 0.00 0.00 178.44 177.69 1u58 n ALA 141 N -2.37 1.86 0.07 1.53 0.00 -1.17 -2.93 120.51 117.52 1u58 n ALA 141 Ca 0.20 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.79 1u58 n ALA 141 Cb 0.48 -1.40 0.27 0.00 0.00 0.00 0.00 19.45 18.81 1u58 n ALA 141 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1u58 n SER 142 N -2.13 3.52 -4.74 0.00 3.41 -0.10 -5.00 113.62 108.58 1u58 n SER 142 Ca 0.03 -1.98 -0.41 0.00 -0.26 0.00 0.00 58.87 56.25 1u58 n SER 142 Cb 0.28 -0.36 0.01 0.00 -0.26 0.00 0.00 64.21 63.88 1u58 n SER 142 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u58 n ALA 143 N 1.46 1.85 -4.09 7.33 0.00 -1.15 -4.83 120.51 121.10 1u58 n ALA 143 Ca 0.21 0.27 -0.32 0.00 0.00 0.00 0.00 53.44 53.60 1u58 n ALA 143 Cb 0.58 -2.36 -0.16 0.00 0.00 0.00 0.00 19.45 17.52 1u58 n ALA 143 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1u58 s VAL 144 N -1.18 1.97 0.27 0.00 1.01 0.09 -4.97 120.40 117.60 1u58 s VAL 144 Ca 0.60 -1.00 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 1u58 s VAL 144 Cb -0.48 -1.85 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 1u58 s VAL 144 CO 0.59 0.41 1.20 -0.55 0.00 0.00 0.00 175.10 176.75 1u58 s SER 145 N 1.30 7.04 0.53 3.32 0.15 -1.17 -1.94 113.70 122.93 1u58 s SER 145 Ca 0.02 2.42 -0.20 0.00 0.70 0.00 0.00 55.95 58.89 1u58 s SER 145 Cb -0.14 -2.63 -0.06 0.00 -1.71 0.00 0.00 66.02 61.48 1u58 s SER 145 CO -0.11 -0.34 1.15 -2.16 1.20 0.00 0.00 173.24 172.98 1u58 s PRO 146 N -1.24 3.40 -0.29 5.44 0.04 -1.26 -4.69 135.00 136.40 1u58 s PRO 146 Ca 0.48 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.93 1u58 s PRO 146 Cb -0.35 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.10 1u58 s PRO 146 CO 0.44 -0.83 1.12 -0.65 0.04 0.00 0.00 177.00 177.12 1u58 s GLN 147 N -3.13 4.09 -0.15 4.56 -0.21 -0.45 -4.88 119.66 119.49 1u58 s GLN 147 Ca 0.71 1.19 -0.06 0.00 0.02 0.00 0.00 55.36 57.22 1u58 s GLN 147 Cb -0.26 -3.74 -0.04 0.00 1.00 0.00 0.00 33.01 29.96 1u58 s GLN 147 CO 0.30 -0.88 0.05 -0.51 -2.12 0.00 0.00 175.29 172.14 1u58 s LEU 148 N 3.68 3.81 0.01 2.90 1.43 -1.26 -1.27 118.68 127.97 1u58 s LEU 148 Ca 0.47 0.13 0.00 0.00 -1.03 0.00 0.00 54.13 53.71 1u58 s LEU 148 Cb -0.14 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.14 1u58 s LEU 148 CO 0.15 0.25 -0.02 -1.61 0.23 0.00 0.00 176.35 175.35 1u58 s GLU 149 N -0.07 0.16 -0.20 1.70 0.41 -0.35 -4.99 118.70 115.36 1u58 s GLU 149 Ca 0.06 -0.23 -0.05 0.00 -0.41 0.00 0.00 54.97 54.34 1u58 s GLU 149 Cb -0.12 -0.03 -0.02 0.00 -1.78 0.00 0.00 34.13 32.18 1u58 s GLU 149 CO 0.01 -0.00 0.00 0.08 -0.49 0.00 0.00 175.26 174.86 1u58 s VAL 150 N -0.50 3.96 -0.03 2.63 1.01 -1.26 -0.23 120.40 125.99 1u58 s VAL 150 Ca -0.05 -0.31 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1u58 s VAL 150 Cb -0.04 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.52 1u58 s VAL 150 CO -0.00 0.43 0.05 -1.61 0.00 0.00 0.00 175.10 173.96 1u58 s GLU 151 N 0.98 3.00 -0.06 2.72 2.02 0.12 -4.75 118.70 122.73 1u58 s GLU 151 Ca 0.02 -0.48 0.06 0.00 0.02 0.00 0.00 54.97 54.58 1u58 s GLU 151 Cb -0.14 -2.82 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 1u58 s GLU 151 CO 0.02 0.66 -0.24 0.50 0.02 0.00 0.00 175.26 176.22 1u58 s ARG 152 N -1.47 2.63 -0.01 1.61 3.52 -1.26 -0.96 118.95 123.01 1u58 s ARG 152 Ca 0.19 -0.89 0.01 0.00 -0.13 0.00 0.00 55.73 54.92 1u58 s ARG 152 Cb -0.12 -2.20 0.00 0.00 -1.56 0.00 0.00 34.95 31.08 1u58 s ARG 152 CO 0.10 0.36 -0.03 1.03 -0.81 0.00 0.00 175.30 175.95 1u58 s ARG 153 N -0.11 0.28 0.30 5.12 0.52 -0.66 -4.98 118.95 119.43 1u58 s ARG 153 Ca -0.05 -0.08 -0.29 0.00 -0.52 0.00 0.00 55.73 54.79 1u58 s ARG 153 Cb -0.14 -0.31 -0.13 0.00 0.52 0.00 0.00 34.95 34.88 1u58 s ARG 153 CO 0.04 0.03 1.25 0.45 0.02 0.00 0.00 175.30 177.09 1u58 n SER 154 N 3.25 2.38 -3.73 0.23 2.88 -1.26 -0.14 113.62 117.23 1u58 n SER 154 Ca -0.16 1.18 -0.14 0.00 -1.33 0.00 0.00 58.87 58.42 1u58 n SER 154 Cb 0.57 -1.42 -0.15 0.00 -0.75 0.00 0.00 64.21 62.46 1u58 n SER 154 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1u58 s SER 155 N -0.22 0.11 0.13 -3.46 0.15 -0.70 -4.74 113.70 104.96 1u58 s SER 155 Ca 0.60 0.31 0.00 0.00 0.70 0.00 0.00 55.95 57.55 1u58 s SER 155 Cb -0.63 0.21 0.00 0.00 -1.71 0.00 0.00 66.02 63.89 1u58 s SER 155 CO 0.58 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.46 1u58 n GLY 156 N 4.50 -2.10 0.41 9.45 0.00 -1.26 -3.73 105.19 112.45 1u58 n GLY 156 Ca -0.21 -1.41 0.09 0.00 0.00 0.00 0.00 46.02 44.49 1u58 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u58 n ARG 157 N -1.66 1.52 -1.15 1.61 1.74 -1.26 -4.52 116.66 112.95 1u58 n ARG 157 Ca 0.00 -0.87 -0.20 0.00 -0.77 0.00 0.00 57.85 56.01 1u58 n ARG 157 Cb 0.15 -1.34 0.18 0.00 -1.02 0.00 0.00 32.46 30.43 1u58 n ARG 157 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1u58 n GLU 158 N -0.10 2.17 -0.91 5.56 4.71 -1.26 -4.91 120.64 125.90 1u58 n GLU 158 Ca 0.07 -3.05 0.00 0.00 -0.01 0.00 0.00 57.16 54.17 1u58 n GLU 158 Cb 0.38 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.70 1u58 n GLU 158 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1u58 n GLY 159 N -1.14 0.39 3.54 0.62 0.00 -1.26 -4.77 105.19 102.57 1u58 n GLY 159 Ca 0.55 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 46.22 1u58 n GLY 159 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u58 n GLY 160 N -1.55 -1.05 3.04 -0.02 0.00 -1.24 -2.43 105.19 101.94 1u58 n GLY 160 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.36 1u58 n GLY 160 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1u58 s MET 161 N -3.44 0.62 -0.13 1.61 -1.94 0.06 -1.73 119.30 114.35 1u58 s MET 161 Ca 0.67 -0.51 -0.18 0.00 -1.71 0.00 0.00 55.69 53.96 1u58 s MET 161 Cb -0.30 -0.55 -0.04 0.00 2.01 0.00 0.00 34.83 35.95 1u58 s MET 161 CO 0.57 0.14 0.47 0.50 -0.01 0.00 0.00 175.02 176.68 1u58 s ARG 162 N -0.80 4.31 -0.25 2.03 3.52 0.80 -0.46 118.95 128.10 1u58 s ARG 162 Ca -0.01 0.42 -0.07 0.00 -0.13 0.00 0.00 55.73 55.93 1u58 s ARG 162 Cb -0.06 -3.46 -0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1u58 s ARG 162 CO 0.00 0.11 0.06 -0.51 -0.81 0.00 0.00 175.30 174.16 1u58 s LEU 163 N 0.78 3.44 -0.28 -0.88 1.43 -0.09 -1.65 118.68 121.43 1u58 s LEU 163 Ca 0.25 -0.28 -0.04 0.00 -1.03 0.00 0.00 54.13 53.04 1u58 s LEU 163 Cb -0.15 -1.90 0.03 0.00 0.03 0.00 0.00 46.19 44.19 1u58 s LEU 163 CO 0.10 -0.05 0.01 -0.60 0.23 0.00 0.00 176.35 176.03 1u58 s ARG 164 N 1.59 2.83 -0.18 1.70 3.52 -0.14 -0.74 118.95 127.53 1u58 s ARG 164 Ca 0.06 -1.01 -0.24 0.00 -0.13 0.00 0.00 55.73 54.41 1u58 s ARG 164 Cb -0.15 -3.18 -0.02 0.00 -1.56 0.00 0.00 34.95 30.04 1u58 s ARG 164 CO 0.03 -0.47 0.77 0.00 -0.81 0.00 0.00 175.30 174.82 1u58 s PHE 166 N 2.14 2.62 -0.25 0.00 5.36 0.68 -1.27 117.98 127.27 1u58 s PHE 166 Ca 0.35 -0.98 -0.04 0.00 -0.96 0.00 0.00 56.93 55.30 1u58 s PHE 166 Cb -0.16 -1.74 0.01 0.00 -0.34 0.00 0.00 43.02 40.78 1u58 s PHE 166 CO 0.11 -0.39 -0.02 0.00 -1.46 0.00 0.00 175.22 173.46 1u58 s ALA 167 N 0.37 2.83 0.16 11.12 0.00 0.22 -1.21 121.76 135.25 1u58 s ALA 167 Ca -0.17 -1.35 0.10 0.00 0.00 0.00 0.00 51.96 50.54 1u58 s ALA 167 Cb -0.17 -1.81 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1u58 s ALA 167 CO 0.08 -0.70 -0.22 1.03 0.00 0.00 0.00 175.76 175.94 1u58 s ARG 168 N 1.42 1.37 -1.33 0.00 0.52 -0.40 -1.17 118.95 119.37 1u58 s ARG 168 Ca 0.03 -1.42 -0.01 0.00 -0.52 0.00 0.00 55.73 53.81 1u58 s ARG 168 Cb -0.16 -1.62 -0.00 0.00 0.52 0.00 0.00 34.95 33.69 1u58 s ARG 168 CO -0.02 0.35 0.62 -0.25 0.02 0.00 0.00 175.30 176.01 1u58 n ASP 169 N 0.46 -1.16 -4.54 0.23 9.92 -0.36 -1.33 116.55 119.77 1u58 n ASP 169 Ca -0.14 -0.89 -0.26 0.00 -0.53 0.00 0.00 54.79 52.97 1u58 n ASP 169 Cb 0.56 -3.72 -0.11 0.00 -0.64 0.00 0.00 41.12 37.21 1u58 n ASP 169 CO 0.00 0.00 0.00 -0.72 0.13 0.00 0.00 177.20 176.61 1u58 s TYR 170 N -3.75 2.38 -0.21 1.24 -0.85 -0.93 -4.64 117.35 110.59 1u58 s TYR 170 Ca 0.03 -0.53 -0.27 0.00 -0.52 0.00 0.00 57.07 55.78 1u58 s TYR 170 Cb -0.01 -1.39 0.09 0.00 0.38 0.00 0.00 41.96 41.03 1u58 s TYR 170 CO 0.84 0.55 0.84 -0.47 -1.52 0.00 0.00 175.55 175.79 1u58 s TYR 171 N -2.65 -0.61 1.05 -3.49 5.04 -0.82 -0.77 117.35 115.10 1u58 s TYR 171 Ca 0.32 1.35 -0.18 0.00 -2.44 0.00 0.00 57.07 56.13 1u58 s TYR 171 Cb 0.03 0.35 0.24 0.00 0.35 0.00 0.00 41.96 42.93 1u58 s TYR 171 CO 0.16 -0.38 1.29 -1.25 -1.34 0.00 0.00 175.55 174.03 1u58 s PRO 172 N -0.22 -0.03 0.26 4.97 0.04 -1.26 -0.73 135.00 138.02 1u58 s PRO 172 Ca -0.02 -0.41 0.00 0.00 0.04 0.00 0.00 61.00 60.62 1u58 s PRO 172 Cb -0.03 -1.77 0.33 0.00 0.04 0.00 0.00 34.50 33.07 1u58 s PRO 172 CO 0.01 -2.87 1.69 0.00 0.04 0.00 0.00 177.00 175.88 1u58 h ALA 173 N -1.97 1.03 -1.97 8.56 0.00 -1.97 -3.42 119.26 119.51 1u58 h ALA 173 Ca -0.44 -0.35 -0.57 0.00 0.00 0.00 0.00 54.91 53.55 1u58 h ALA 173 Cb 1.24 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.86 1u58 h ALA 173 CO 0.33 0.58 1.15 0.34 0.00 0.00 0.00 179.25 181.66 1u58 s ASP 174 N -6.78 6.27 -0.12 0.00 2.15 -1.26 -4.84 116.67 112.08 1u58 s ASP 174 Ca -0.08 1.46 -0.05 0.00 0.43 0.00 0.00 52.55 54.32 1u58 s ASP 174 Cb 0.14 -2.53 0.06 0.00 -0.30 0.00 0.00 42.92 40.28 1u58 s ASP 174 CO 0.81 -1.37 0.26 -0.22 -0.17 0.00 0.00 175.17 174.48 1u58 s LEU 175 N 5.59 -0.06 -0.03 -1.34 2.96 -1.26 -4.27 118.68 120.26 1u58 s LEU 175 Ca 0.72 0.59 -0.30 0.00 -0.22 0.00 0.00 54.13 54.92 1u58 s LEU 175 Cb -0.23 0.74 -0.04 0.00 0.50 0.00 0.00 46.19 47.16 1u58 s LEU 175 CO 0.30 -0.21 1.27 -0.70 -1.32 0.00 0.00 176.35 175.69 1u58 s GLU 176 N 2.00 4.33 -0.10 1.98 2.12 0.46 -4.94 118.70 124.55 1u58 s GLU 176 Ca -0.03 1.78 -0.03 0.00 0.36 0.00 0.00 54.97 57.05 1u58 s GLU 176 Cb -0.11 -3.56 0.05 0.00 0.26 0.00 0.00 34.13 30.77 1u58 s GLU 176 CO -0.09 -0.49 0.15 -1.50 -0.54 0.00 0.00 175.26 172.80 1u58 s ILE 177 N 2.25 -0.24 -0.03 -3.70 2.07 -1.26 -1.56 121.20 118.72 1u58 s ILE 177 Ca 0.59 0.28 -0.20 0.00 -1.41 0.00 0.00 60.65 59.90 1u58 s ILE 177 Cb -0.27 -0.34 0.04 0.00 0.13 0.00 0.00 42.46 42.02 1u58 s ILE 177 CO 0.24 0.09 0.44 -0.13 -1.91 0.00 0.00 174.94 173.66 1u58 s ARG 178 N 2.28 0.79 0.18 3.50 0.52 -0.96 -4.91 118.95 120.36 1u58 s ARG 178 Ca 0.04 -0.01 -0.08 0.00 -0.52 0.00 0.00 55.73 55.16 1u58 s ARG 178 Cb -0.13 0.36 -0.07 0.00 0.52 0.00 0.00 34.95 35.64 1u58 s ARG 178 CO -0.06 -0.23 0.48 -1.58 0.02 0.00 0.00 175.30 173.93 1u58 s TRP 179 N -1.21 3.47 0.03 -0.53 0.52 -1.26 -1.06 118.94 118.89 1u58 s TRP 179 Ca -0.12 0.78 0.02 0.00 0.02 0.00 0.00 56.10 56.79 1u58 s TRP 179 Cb -0.03 -2.17 -0.02 0.00 -1.15 0.00 0.00 33.47 30.09 1u58 s TRP 179 CO 0.06 0.36 -0.07 -1.58 0.02 0.00 0.00 176.95 175.74 1u58 s TRP 180 N -1.70 0.58 -0.13 -1.98 0.52 0.10 -0.98 118.94 115.34 1u58 s TRP 180 Ca 0.43 -0.38 0.03 0.00 0.02 0.00 0.00 56.10 56.20 1u58 s TRP 180 Cb -0.12 -0.35 0.01 0.00 -1.15 0.00 0.00 33.47 31.86 1u58 s TRP 180 CO 0.22 -0.07 -0.22 0.21 0.02 0.00 0.00 176.95 177.11 1u58 s LYS 181 N -1.15 3.03 0.38 4.98 2.20 0.32 -0.82 119.74 128.68 1u58 s LYS 181 Ca -0.07 -0.86 -0.27 0.00 -0.36 0.00 0.00 55.97 54.41 1u58 s LYS 181 Cb -0.08 -2.42 -0.09 0.00 -1.51 0.00 0.00 37.83 33.73 1u58 s LYS 181 CO 0.00 0.02 1.31 -0.51 -0.36 0.00 0.00 175.35 175.81 1u58 s ASP 182 N 0.74 6.49 0.00 1.43 1.01 0.12 -1.04 116.67 125.42 1u58 s ASP 182 Ca -0.09 2.68 0.23 0.00 0.71 0.00 0.00 52.55 56.08 1u58 s ASP 182 Cb -0.16 -2.64 0.43 0.00 1.01 0.00 0.00 42.92 41.56 1u58 s ASP 182 CO -0.00 -0.73 1.40 -0.90 0.21 0.00 0.00 175.17 175.14 1u58 n ASP 183 N 0.39 3.48 0.00 0.27 5.68 -1.06 -4.94 116.55 120.37 1u58 n ASP 183 Ca 0.02 -1.98 0.00 0.00 -0.50 0.00 0.00 54.79 52.33 1u58 n ASP 183 Cb 0.43 -0.27 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 1u58 n ASP 183 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u58 n GLY 184 N 1.47 1.13 0.09 6.12 0.00 -1.26 -4.85 105.19 107.90 1u58 n GLY 184 Ca 0.19 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.25 1u58 n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u58 n GLY 185 N -2.00 2.82 0.90 -0.02 0.00 -1.26 -4.96 105.19 100.66 1u58 n GLY 185 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1u58 n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u58 n GLY 186 N -0.77 0.69 3.84 -0.02 0.00 -1.26 -5.09 105.19 102.58 1u58 n GLY 186 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 1u58 n GLY 186 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1u58 s GLY 187 N -1.44 2.02 -0.29 -0.02 0.00 -1.26 -4.96 107.32 101.38 1u58 s GLY 187 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 44.72 44.88 1u58 s GLY 187 CO 0.00 0.45 0.08 0.00 0.00 0.00 0.00 173.10 173.63 1u58 s ALA 188 N -2.68 1.51 -0.19 3.20 0.00 -1.26 -2.56 121.76 119.79 1u58 s ALA 188 Ca 0.59 -1.54 -0.15 0.00 0.00 0.00 0.00 51.96 50.86 1u58 s ALA 188 Cb -0.11 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.41 1u58 s ALA 188 CO 0.35 -1.58 0.33 -0.51 0.00 0.00 0.00 175.76 174.35 1u58 s LEU 189 N 1.62 4.18 0.24 0.00 1.43 -0.21 -4.80 118.68 121.15 1u58 s LEU 189 Ca 0.08 0.47 -0.30 0.00 -1.03 0.00 0.00 54.13 53.35 1u58 s LEU 189 Cb -0.17 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.54 1u58 s LEU 189 CO -0.22 0.00 1.24 -2.16 0.23 0.00 0.00 176.35 175.44 1u58 s PRO 190 N 0.98 4.46 -0.14 1.29 0.04 -1.26 -0.52 135.00 139.85 1u58 s PRO 190 Ca 0.17 2.00 -0.06 0.00 0.04 0.00 0.00 61.00 63.15 1u58 s PRO 190 Cb -0.14 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.19 1u58 s PRO 190 CO 0.06 -0.10 0.06 -0.65 0.04 0.00 0.00 177.00 176.41 1u58 s GLN 191 N -0.80 3.54 0.51 4.56 -1.52 -0.16 -4.90 119.66 120.90 1u58 s GLN 191 Ca 0.51 -0.32 -0.05 0.00 -1.95 0.00 0.00 55.36 53.55 1u58 s GLN 191 Cb -0.35 -3.07 -0.03 0.00 -0.22 0.00 0.00 33.01 29.34 1u58 s GLN 191 CO 0.42 0.52 0.82 0.95 -0.25 0.00 0.00 175.29 177.75 1u58 s THR 192 N -0.35 4.63 0.02 -0.19 -4.23 -1.26 -4.55 115.64 109.71 1u58 s THR 192 Ca 0.09 0.17 0.04 0.00 -1.18 0.00 0.00 61.69 60.81 1u58 s THR 192 Cb -0.12 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 1u58 s THR 192 CO 0.02 -0.78 -0.13 -0.94 -0.54 0.00 0.00 174.62 172.26 1u58 s SER 193 N -4.15 1.47 0.10 3.99 1.04 -1.26 -4.97 113.70 109.92 1u58 s SER 193 Ca 0.49 -0.36 -0.15 0.00 0.48 0.00 0.00 55.95 56.41 1u58 s SER 193 Cb -0.10 -0.11 -0.07 0.00 0.10 0.00 0.00 66.02 65.83 1u58 s SER 193 CO 0.45 0.06 1.45 0.50 0.98 0.00 0.00 173.24 176.68 1u58 h LYS 194 N 5.29 0.69 -6.20 4.02 3.64 -1.99 -3.44 116.57 118.58 1u58 h LYS 194 Ca -0.36 -0.34 -0.58 0.00 -1.27 0.00 0.00 60.65 58.11 1u58 h LYS 194 Cb 1.18 -0.00 -0.23 0.00 -0.41 0.00 0.00 32.23 32.76 1u58 h LYS 194 CO 0.46 0.94 -0.83 1.14 -2.27 0.00 0.00 179.45 178.89 1u58 s GLN 195 N -4.48 1.23 -0.35 1.90 -2.07 -1.26 -5.09 119.66 109.54 1u58 s GLN 195 Ca -0.12 -1.11 0.06 0.00 -1.82 0.00 0.00 55.36 52.37 1u58 s GLN 195 Cb 0.09 -1.47 0.19 0.00 -1.09 0.00 0.00 33.01 30.73 1u58 s GLN 195 CO 0.82 0.35 0.58 -3.38 -1.32 0.00 0.00 175.29 172.34 1u58 s HIS 196 N -1.04 -1.66 0.38 9.60 -3.43 -1.26 -4.71 115.29 113.17 1u58 s HIS 196 Ca 0.07 0.56 -0.13 0.00 -0.80 0.00 0.00 55.06 54.76 1u58 s HIS 196 Cb -0.10 0.24 -0.08 0.00 -1.43 0.00 0.00 32.58 31.22 1u58 s HIS 196 CO 0.04 -1.12 0.77 -1.01 -2.00 0.00 0.00 174.74 171.42 1u58 s HIS 197 N 2.30 3.42 0.92 0.38 3.76 -1.26 -5.05 115.29 119.75 1u58 s HIS 197 Ca 0.13 1.16 -0.10 0.00 -0.15 0.00 0.00 55.06 56.10 1u58 s HIS 197 Cb -0.08 -2.52 0.15 0.00 1.11 0.00 0.00 32.58 31.24 1u58 s HIS 197 CO -0.17 -0.04 1.14 -0.51 -0.85 0.00 0.00 174.74 174.32 1u58 s ASP 198 N -2.73 2.88 0.64 1.40 1.01 -1.26 -4.74 116.67 113.87 1u58 s ASP 198 Ca 0.53 2.16 -0.18 0.00 0.71 0.00 0.00 52.55 55.78 1u58 s ASP 198 Cb -0.10 -2.56 -0.01 0.00 1.01 0.00 0.00 42.92 41.26 1u58 s ASP 198 CO 0.25 -3.13 1.26 -2.16 0.21 0.00 0.00 175.17 171.60 1u58 s PRO 199 N -4.65 2.61 -0.03 8.23 0.04 -1.26 -4.90 135.00 135.05 1u58 s PRO 199 Ca 0.67 1.97 0.04 0.00 0.04 0.00 0.00 61.00 63.72 1u58 s PRO 199 Cb -0.23 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1u58 s PRO 199 CO 0.58 -1.52 -0.14 -0.51 0.04 0.00 0.00 177.00 175.45 1u58 s LEU 200 N -4.38 2.78 0.29 -3.56 1.43 -0.11 -4.95 118.68 110.18 1u58 s LEU 200 Ca 0.80 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 1u58 s LEU 200 Cb -0.35 -1.58 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 1u58 s LEU 200 CO 0.38 0.32 1.22 -2.16 0.23 0.00 0.00 176.35 176.35 1u58 s PRO 201 N -0.93 4.48 0.00 1.29 0.04 -1.26 -1.44 135.00 137.18 1u58 s PRO 201 Ca 0.13 2.01 0.25 0.00 0.04 0.00 0.00 61.00 63.42 1u58 s PRO 201 Cb -0.11 -3.14 0.32 0.00 0.04 0.00 0.00 34.50 31.61 1u58 s PRO 201 CO 0.02 -0.03 1.33 0.43 0.04 0.00 0.00 177.00 178.79 1u58 n SER 202 N 1.27 2.69 0.00 6.66 7.64 -0.14 -4.90 113.62 126.85 1u58 n SER 202 Ca 0.01 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1u58 n SER 202 Cb 0.43 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 1u58 n SER 202 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1u58 n GLY 203 N 1.33 0.74 0.12 0.23 0.00 -1.26 -4.89 105.19 101.45 1u58 n GLY 203 Ca 0.14 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.21 1u58 n GLY 203 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1u58 n ASN 204 N 0.00 1.60 0.00 1.61 0.23 -1.26 -4.98 115.26 112.46 1u58 n ASN 204 Ca 0.00 -2.38 0.00 0.00 -0.53 0.00 0.00 54.58 51.67 1u58 n ASN 204 Cb 0.00 -0.23 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1u58 n ASN 204 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1u58 n GLY 205 N -0.78 1.00 3.46 4.83 0.00 -1.26 -5.04 105.19 107.40 1u58 n GLY 205 Ca 0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1u58 n GLY 205 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u58 n LEU 206 N 0.00 0.00 -4.29 0.99 4.77 -1.26 -4.93 117.00 112.28 1u58 n LEU 206 Ca 0.00 -2.88 -0.15 0.00 -0.03 0.00 0.00 56.01 52.94 1u58 n LEU 206 Cb 0.00 0.21 -0.10 0.00 -2.33 0.00 0.00 43.42 41.20 1u58 n LEU 206 CO 0.00 -0.47 -0.36 -0.31 -1.33 0.00 0.00 177.39 174.92 1u58 s TYR 207 N -2.66 1.40 0.02 -1.77 2.02 0.05 -0.97 117.35 115.44 1u58 s TYR 207 Ca 0.10 -0.89 0.01 0.00 -0.37 0.00 0.00 57.07 55.92 1u58 s TYR 207 Cb -0.01 -0.78 -0.02 0.00 -0.40 0.00 0.00 41.96 40.76 1u58 s TYR 207 CO 0.06 -0.03 -0.04 1.14 -1.57 0.00 0.00 175.55 175.11 1u58 s GLN 208 N -3.83 0.32 -0.09 -0.62 -2.07 -0.52 -1.22 119.66 111.62 1u58 s GLN 208 Ca 0.24 -0.51 -0.22 0.00 -1.82 0.00 0.00 55.36 53.04 1u58 s GLN 208 Cb 0.05 -0.05 0.05 0.00 -1.09 0.00 0.00 33.01 31.97 1u58 s GLN 208 CO 0.05 -0.00 0.52 0.21 -1.32 0.00 0.00 175.29 174.75 1u58 s LYS 209 N -1.14 0.80 0.09 9.60 2.20 -0.32 -0.94 119.74 130.03 1u58 s LYS 209 Ca -0.10 0.28 -0.03 0.00 -0.36 0.00 0.00 55.97 55.76 1u58 s LYS 209 Cb -0.08 0.38 -0.03 0.00 -1.51 0.00 0.00 37.83 36.59 1u58 s LYS 209 CO -0.00 -0.20 0.05 -3.38 -0.36 0.00 0.00 175.35 171.45 1u58 s HIS 210 N -0.75 0.56 -0.08 4.03 -3.43 -1.26 -0.61 115.29 113.75 1u58 s HIS 210 Ca -0.08 -1.02 -0.10 0.00 -0.80 0.00 0.00 55.06 53.05 1u58 s HIS 210 Cb -0.03 -0.34 0.02 0.00 -1.43 0.00 0.00 32.58 30.80 1u58 s HIS 210 CO 0.05 -0.47 0.27 -1.50 -2.00 0.00 0.00 174.74 171.09 1u58 s ILE 211 N -3.95 0.02 0.10 -5.38 1.10 -0.39 -4.51 121.20 108.18 1u58 s ILE 211 Ca 0.12 -0.17 0.06 0.00 -0.51 0.00 0.00 60.65 60.16 1u58 s ILE 211 Cb 0.07 -0.44 -0.04 0.00 0.15 0.00 0.00 42.46 42.20 1u58 s ILE 211 CO -0.06 -0.09 -0.07 -1.81 -2.11 0.00 0.00 174.94 170.80 1u58 s ASP 212 N -0.32 4.61 0.03 4.50 1.01 -1.26 -0.87 116.67 124.38 1u58 s ASP 212 Ca -0.04 -0.31 0.02 0.00 0.71 0.00 0.00 52.55 52.93 1u58 s ASP 212 Cb -0.03 -0.96 -0.02 0.00 1.01 0.00 0.00 42.92 42.91 1u58 s ASP 212 CO 0.01 0.18 -0.07 0.54 0.21 0.00 0.00 175.17 176.04 1u58 s VAL 213 N -1.24 0.52 -0.17 -1.27 0.11 0.08 -4.82 120.40 113.61 1u58 s VAL 213 Ca 0.23 -0.90 -0.04 0.00 -2.93 0.00 0.00 61.98 58.34 1u58 s VAL 213 Cb -0.11 -0.56 -0.03 0.00 -1.53 0.00 0.00 36.38 34.15 1u58 s VAL 213 CO 0.15 -0.27 -0.02 -0.31 -3.33 0.00 0.00 175.10 171.32 1u58 s TYR 214 N -1.10 3.04 0.21 1.54 2.02 -1.26 -0.91 117.35 120.88 1u58 s TYR 214 Ca -0.07 -0.34 0.04 0.00 -0.37 0.00 0.00 57.07 56.33 1u58 s TYR 214 Cb -0.08 -2.01 -0.05 0.00 -0.40 0.00 0.00 41.96 39.41 1u58 s TYR 214 CO 0.00 -0.10 -0.05 0.14 -1.57 0.00 0.00 175.55 173.97 1u58 s VAL 215 N 0.61 1.17 0.32 0.71 -7.23 0.39 -4.97 120.40 111.41 1u58 s VAL 215 Ca -0.01 -2.06 -0.27 0.00 -1.81 0.00 0.00 61.98 57.82 1u58 s VAL 215 Cb -0.14 -2.18 -0.09 0.00 0.56 0.00 0.00 36.38 34.53 1u58 s VAL 215 CO 0.02 -0.47 1.06 -1.81 -0.31 0.00 0.00 175.10 173.59 1u58 s ASP 216 N -3.28 7.10 0.31 4.85 1.01 -1.26 -0.76 116.67 124.65 1u58 s ASP 216 Ca 0.24 2.14 -0.29 0.00 0.71 0.00 0.00 52.55 55.35 1u58 s ASP 216 Cb 0.04 -2.61 -0.12 0.00 1.01 0.00 0.00 42.92 41.24 1u58 s ASP 216 CO 0.06 -0.25 1.47 0.61 0.21 0.00 0.00 175.17 177.27 1u58 n GLY 217 N 0.87 1.03 1.47 0.21 0.00 -1.02 -1.57 105.19 106.18 1u58 n GLY 217 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 46.02 46.44 1u58 n GLY 217 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u58 n GLY 218 N 1.50 1.80 0.87 -0.02 0.00 -1.26 -4.89 105.19 103.19 1u58 n GLY 218 Ca 0.07 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.16 1u58 n GLY 218 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u58 n LEU 219 N 0.00 3.61 -0.10 0.99 4.32 -0.61 -4.66 117.00 120.56 1u58 n LEU 219 Ca 0.00 -2.54 0.02 0.00 -0.02 0.00 0.00 56.01 53.47 1u58 n LEU 219 Cb 0.00 -0.42 0.32 0.00 -1.62 0.00 0.00 43.42 41.70 1u58 n LEU 219 CO 0.00 0.71 1.16 -0.33 -1.22 0.00 0.00 177.39 177.71 1u58 h GLU 220 N 2.15 0.75 0.00 3.23 3.07 -1.91 -2.64 114.58 119.24 1u58 h GLU 220 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 1u58 h GLU 220 Cb 1.16 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.91 1u58 h GLU 220 CO 0.14 0.53 0.00 1.12 -1.40 0.00 0.00 179.01 179.40 1u58 h HIS 221 N 0.76 0.00 -0.01 4.33 2.07 -1.92 -2.22 115.15 118.16 1u58 h HIS 221 Ca 0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.72 1u58 h HIS 221 Cb -0.02 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.96 1u58 h HIS 221 CO 0.00 0.00 -0.11 1.33 -3.07 0.00 0.00 177.93 176.08 1u58 n VAL 222 N -3.00 0.00 -3.87 6.12 0.24 -0.99 -4.84 118.33 111.97 1u58 n VAL 222 Ca -0.02 -0.15 -0.37 0.00 -2.04 0.00 0.00 64.34 61.77 1u58 n VAL 222 Cb 0.13 0.27 -0.06 0.00 -1.47 0.00 0.00 33.84 32.71 1u58 n VAL 222 CO 0.00 0.00 0.00 -0.31 -2.14 0.00 0.00 176.83 174.38 1u58 s TYR 223 N -2.28 3.60 0.01 6.34 2.02 -0.84 0.14 117.35 126.35 1u58 s TYR 223 Ca 0.32 0.52 0.00 0.00 -0.37 0.00 0.00 57.07 57.54 1u58 s TYR 223 Cb 0.20 -1.94 -0.01 0.00 -0.40 0.00 0.00 41.96 39.82 1u58 s TYR 223 CO 0.43 0.73 -0.02 -1.54 -1.57 0.00 0.00 175.55 173.58 1u58 s SER 224 N -1.13 0.14 -0.18 2.29 1.04 -0.00 -4.58 113.70 111.29 1u58 s SER 224 Ca 0.17 -0.24 -0.05 0.00 0.48 0.00 0.00 55.95 56.31 1u58 s SER 224 Cb -0.12 0.04 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 1u58 s SER 224 CO 0.06 -0.14 -0.01 0.00 0.98 0.00 0.00 173.24 174.13 1u58 s ARG 226 N 0.65 2.12 -0.02 0.00 0.52 -0.23 -0.92 118.95 121.07 1u58 s ARG 226 Ca -0.01 -0.63 0.04 0.00 -0.52 0.00 0.00 55.73 54.61 1u58 s ARG 226 Cb -0.14 -1.73 -0.01 0.00 0.52 0.00 0.00 34.95 33.60 1u58 s ARG 226 CO 0.02 0.16 -0.12 0.08 0.02 0.00 0.00 175.30 175.46 1u58 s VAL 227 N 0.31 1.00 -0.24 3.52 1.01 -0.27 -2.26 120.40 123.46 1u58 s VAL 227 Ca -0.11 -0.52 -0.20 0.00 0.00 0.00 0.00 61.98 61.14 1u58 s VAL 227 Cb -0.15 -0.84 0.06 0.00 0.00 0.00 0.00 36.38 35.45 1u58 s VAL 227 CO 0.04 0.29 0.62 -0.75 0.00 0.00 0.00 175.10 175.31 1u58 s LYS 228 N -0.17 0.71 -0.01 2.72 2.20 -0.60 -0.46 119.74 124.12 1u58 s LYS 228 Ca 0.03 0.92 -0.12 0.00 -0.36 0.00 0.00 55.97 56.44 1u58 s LYS 228 Cb -0.06 0.30 0.04 0.00 -1.51 0.00 0.00 37.83 36.60 1u58 s LYS 228 CO -0.00 -0.10 0.52 0.41 -0.36 0.00 0.00 175.35 175.82 1u58 n GLY 229 N 3.06 0.43 0.38 5.54 0.00 -1.26 -0.40 105.19 112.94 1u58 n GLY 229 Ca -0.15 -0.91 0.16 0.00 0.00 0.00 0.00 46.02 45.11 1u58 n GLY 229 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1u58 h ILE 230 N 1.40 0.70 -0.19 -0.61 2.04 -1.92 -0.90 117.51 118.04 1u58 h ILE 230 Ca -0.08 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.62 1u58 h ILE 230 Cb 0.47 0.05 -0.01 0.00 -0.74 0.00 0.00 36.82 36.59 1u58 h ILE 230 CO 0.12 0.11 0.14 0.00 0.00 0.00 0.00 178.15 178.52 1u58 h ALA 231 N 1.62 2.15 -0.60 1.87 0.00 -1.82 -0.63 119.26 121.86 1u58 h ALA 231 Ca 0.52 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.43 1u58 h ALA 231 Cb 1.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1u58 h ALA 231 CO -0.27 -0.23 0.00 0.25 0.00 0.00 0.00 179.25 178.99 1u58 n THR 232 N -4.44 1.50 -1.95 0.00 -2.24 -0.49 -3.05 114.28 103.62 1u58 n THR 232 Ca 0.02 -1.02 -0.12 0.00 -2.27 0.00 0.00 64.05 60.65 1u58 n THR 232 Cb 0.27 0.15 -0.02 0.00 -2.10 0.00 0.00 70.33 68.63 1u58 n THR 232 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u58 n GLY 233 N 1.16 0.34 2.55 3.38 0.00 -0.24 -2.38 105.19 109.99 1u58 n GLY 233 Ca 0.23 -0.40 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 1u58 n GLY 233 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u58 n LEU 234 N -1.65 -1.53 -4.80 0.99 4.77 -0.46 -5.00 117.00 109.31 1u58 n LEU 234 Ca -0.14 0.45 -0.31 0.00 -0.03 0.00 0.00 56.01 55.98 1u58 n LEU 234 Cb 0.54 -2.82 -0.06 0.00 -2.33 0.00 0.00 43.42 38.75 1u58 n LEU 234 CO 0.18 -0.98 -0.24 -1.61 -1.33 0.00 0.00 177.39 173.40 1u58 s GLU 235 N -3.86 3.03 0.01 3.23 2.02 -1.00 -4.89 118.70 117.23 1u58 s GLU 235 Ca 0.00 -0.58 -0.26 0.00 0.02 0.00 0.00 54.97 54.15 1u58 s GLU 235 Cb 0.00 -2.82 -0.04 0.00 0.10 0.00 0.00 34.13 31.36 1u58 s GLU 235 CO 0.00 0.60 0.80 -1.17 0.02 0.00 0.00 175.26 175.51 1u58 s LEU 236 N -2.20 4.40 -0.02 1.80 2.96 -1.26 -4.55 118.68 119.80 1u58 s LEU 236 Ca 0.28 1.43 0.06 0.00 -0.22 0.00 0.00 54.13 55.68 1u58 s LEU 236 Cb -0.12 -3.28 -0.03 0.00 0.50 0.00 0.00 46.19 43.27 1u58 s LEU 236 CO 0.20 -0.09 -0.19 -1.10 -1.32 0.00 0.00 176.35 173.86 1u58 s GLN 237 N 0.43 2.29 0.02 1.98 -0.21 0.39 -4.96 119.66 119.60 1u58 s GLN 237 Ca 0.41 -0.83 0.08 0.00 0.02 0.00 0.00 55.36 55.04 1u58 s GLN 237 Cb -0.20 -2.23 -0.02 0.00 1.00 0.00 0.00 33.01 31.56 1u58 s GLN 237 CO 0.23 0.59 -0.23 0.42 -2.12 0.00 0.00 175.29 174.18 1u58 s ILE 238 N -0.73 1.82 0.01 1.08 1.01 -1.26 -1.12 121.20 122.01 1u58 s ILE 238 Ca 0.12 -1.15 -0.06 0.00 0.00 0.00 0.00 60.65 59.56 1u58 s ILE 238 Cb -0.10 -1.55 -0.00 0.00 0.01 0.00 0.00 42.46 40.81 1u58 s ILE 238 CO 0.01 0.36 0.10 0.54 0.00 0.00 0.00 174.94 175.95 1u58 s VAL 239 N -0.69 0.09 0.21 2.92 0.11 -0.10 -4.97 120.40 117.97 1u58 s VAL 239 Ca 0.09 -0.76 0.02 0.00 -2.93 0.00 0.00 61.98 58.40 1u58 s VAL 239 Cb -0.09 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.30 1u58 s VAL 239 CO 0.01 -0.42 0.03 -0.13 -3.33 0.00 0.00 175.10 171.26 1u58 s ARG 240 N -1.45 1.26 0.29 1.54 0.52 -1.26 -0.58 118.95 119.27 1u58 s ARG 240 Ca -0.15 -1.64 -0.30 0.00 -0.52 0.00 0.00 55.73 53.12 1u58 s ARG 240 Cb -0.08 -0.34 -0.12 0.00 0.52 0.00 0.00 34.95 34.93 1u58 s ARG 240 CO 0.01 -0.18 1.61 1.87 0.02 0.00 0.00 175.30 178.64 1u58 n TRP 241 N -0.35 2.88 1.03 -0.53 -0.00 -1.26 -4.69 117.44 114.50 1u58 n TRP 241 Ca -0.04 0.23 0.12 0.00 -0.00 0.00 0.00 57.50 57.81 1u58 n TRP 241 Cb 0.64 -2.61 0.12 0.00 -0.00 0.00 0.00 31.31 29.47 1u58 n TRP 241 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 177.69 179.32