#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ln0 s SER 3 N 0.00 3.81 0.00 -5.58 1.04 -1.24 -0.38 113.70 111.35 1ln0 s SER 3 Ca 0.00 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.46 1ln0 s SER 3 Cb 0.00 -0.42 0.00 0.00 0.10 0.00 0.00 66.02 65.70 1ln0 s SER 3 CO 0.00 -0.00 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1ln0 n GLY 4 N -0.70 0.72 3.88 7.32 0.00 -0.55 -1.65 105.19 114.21 1ln0 n GLY 4 Ca -0.05 -1.69 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 1ln0 n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ln0 s ILE 5 N -3.33 5.45 0.30 -0.61 -1.09 0.95 -1.44 121.20 121.43 1ln0 s ILE 5 Ca 0.00 0.13 0.04 0.00 -2.23 0.00 0.00 60.65 58.58 1ln0 s ILE 5 Cb 0.00 -3.40 -0.03 0.00 -1.58 0.00 0.00 42.46 37.44 1ln0 s ILE 5 CO 0.00 0.57 0.19 -0.72 -1.23 0.00 0.00 174.94 173.75 1ln0 s TYR 6 N -1.08 1.58 0.01 3.97 -0.85 0.10 -0.49 117.35 120.60 1ln0 s TYR 6 Ca 0.17 -1.47 -0.00 0.00 -0.52 0.00 0.00 57.07 55.25 1ln0 s TYR 6 Cb -0.12 -0.77 -0.01 0.00 0.38 0.00 0.00 41.96 41.44 1ln0 s TYR 6 CO 0.07 -0.66 -0.01 1.14 -1.52 0.00 0.00 175.55 174.57 1ln0 s GLN 7 N -3.75 0.16 -0.29 -3.49 -2.07 -0.52 -1.18 119.66 108.52 1ln0 s GLN 7 Ca 0.37 -0.31 -0.03 0.00 -1.82 0.00 0.00 55.36 53.57 1ln0 s GLN 7 Cb 0.04 0.06 0.04 0.00 -1.09 0.00 0.00 33.01 32.06 1ln0 s GLN 7 CO 0.20 -0.03 -0.00 0.42 -1.32 0.00 0.00 175.29 174.56 1ln0 s ILE 8 N -0.76 3.12 -0.08 3.63 1.01 -0.03 -2.02 121.20 126.08 1ln0 s ILE 8 Ca -0.08 -1.19 -0.00 0.00 0.00 0.00 0.00 60.65 59.37 1ln0 s ILE 8 Cb -0.05 -2.72 -0.03 0.00 0.01 0.00 0.00 42.46 39.67 1ln0 s ILE 8 CO -0.01 -0.01 -0.03 -0.75 0.00 0.00 0.00 174.94 174.14 1ln0 s LYS 9 N 1.31 2.86 -0.48 2.79 2.20 -0.09 -0.96 119.74 127.37 1ln0 s LYS 9 Ca -0.03 -0.48 -0.24 0.00 -0.36 0.00 0.00 55.97 54.86 1ln0 s LYS 9 Cb -0.19 -2.69 0.03 0.00 -1.51 0.00 0.00 37.83 33.48 1ln0 s LYS 9 CO -0.01 0.68 0.86 1.21 -0.36 0.00 0.00 175.35 177.73 1ln0 s ASN 10 N -0.85 6.41 0.07 1.43 3.84 0.27 -0.92 114.94 125.20 1ln0 s ASN 10 Ca 0.13 -0.14 0.12 0.00 0.21 0.00 0.00 52.86 53.18 1ln0 s ASN 10 Cb -0.11 -2.41 0.54 0.00 -0.55 0.00 0.00 41.25 38.72 1ln0 s ASN 10 CO 0.02 -1.03 1.38 0.35 -2.79 0.00 0.00 177.10 175.02 1ln0 n THR 11 N 6.22 1.29 0.08 -5.21 -2.24 -0.83 0.27 114.28 113.85 1ln0 n THR 11 Ca 0.03 0.38 -0.11 0.00 -2.27 0.00 0.00 64.05 62.08 1ln0 n THR 11 Cb 0.48 -1.26 -0.10 0.00 -2.10 0.00 0.00 70.33 67.35 1ln0 n THR 11 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ln0 h LEU 12 N 0.00 0.24 -0.66 3.22 3.38 -1.91 -3.39 115.31 116.20 1ln0 h LEU 12 Ca 0.00 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1ln0 h LEU 12 Cb 0.16 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.84 1ln0 h LEU 12 CO 0.00 1.14 0.00 -0.46 0.09 0.00 0.00 178.44 179.21 1ln0 n ASN 13 N -3.51 0.37 -0.10 -0.43 0.23 -1.08 -5.02 115.26 105.73 1ln0 n ASN 13 Ca -0.04 -1.08 -0.01 0.00 -0.53 0.00 0.00 54.58 52.91 1ln0 n ASN 13 Cb 0.94 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.63 1ln0 n ASN 13 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1ln0 n ASN 14 N -0.04 -4.88 -4.77 0.53 3.02 0.14 -4.99 115.26 104.27 1ln0 n ASN 14 Ca 0.00 0.03 -0.37 0.00 -0.03 0.00 0.00 54.58 54.21 1ln0 n ASN 14 Cb 0.25 -2.49 -0.03 0.00 -0.61 0.00 0.00 39.78 36.90 1ln0 n ASN 14 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ln0 s LYS 15 N -1.45 4.09 0.24 3.52 1.02 -1.23 -4.75 119.74 121.18 1ln0 s LYS 15 Ca 0.00 1.66 0.02 0.00 0.02 0.00 0.00 55.97 57.68 1ln0 s LYS 15 Cb 0.00 -2.59 -0.05 0.00 -0.52 0.00 0.00 37.83 34.67 1ln0 s LYS 15 CO 0.00 -0.24 0.04 0.14 -0.92 0.00 0.00 175.35 174.37 1ln0 s VAL 16 N -1.54 0.81 -0.17 3.17 -7.23 -1.26 -0.56 120.40 113.62 1ln0 s VAL 16 Ca 0.58 -2.01 0.01 0.00 -1.81 0.00 0.00 61.98 58.75 1ln0 s VAL 16 Cb -0.26 -2.47 0.02 0.00 0.56 0.00 0.00 36.38 34.23 1ln0 s VAL 16 CO 0.33 -0.19 -0.18 -0.47 -0.31 0.00 0.00 175.10 174.27 1ln0 s TYR 17 N -3.57 2.60 -0.09 2.82 5.04 -0.14 -0.95 117.35 123.06 1ln0 s TYR 17 Ca 0.32 -1.52 -0.11 0.00 -2.44 0.00 0.00 57.07 53.32 1ln0 s TYR 17 Cb 0.07 -1.82 -0.05 0.00 0.35 0.00 0.00 41.96 40.51 1ln0 s TYR 17 CO 0.11 -0.77 0.26 0.08 -1.34 0.00 0.00 175.55 173.89 1ln0 s VAL 18 N 1.34 5.30 0.27 3.14 1.01 -1.26 -0.85 120.40 129.34 1ln0 s VAL 18 Ca 0.05 0.50 -0.05 0.00 0.00 0.00 0.00 61.98 62.47 1ln0 s VAL 18 Cb -0.13 -3.56 -0.01 0.00 0.00 0.00 0.00 36.38 32.67 1ln0 s VAL 18 CO -0.12 0.54 0.37 -0.83 0.00 0.00 0.00 175.10 175.06 1ln0 s GLY 19 N -0.62 1.17 0.11 4.51 0.00 -0.33 -4.96 107.32 107.21 1ln0 s GLY 19 Ca 0.18 -1.37 0.06 0.00 0.00 0.00 0.00 44.72 43.59 1ln0 s GLY 19 CO 0.07 -1.00 -0.14 -1.35 0.00 0.00 0.00 173.10 170.67 1ln0 s SER 20 N -3.14 1.99 0.10 1.64 1.04 -1.26 0.02 113.70 114.08 1ln0 s SER 20 Ca 0.31 -0.78 -0.19 0.00 0.48 0.00 0.00 55.95 55.76 1ln0 s SER 20 Cb 0.02 -0.07 0.05 0.00 0.10 0.00 0.00 66.02 66.12 1ln0 s SER 20 CO 0.14 -0.13 0.48 0.00 0.98 0.00 0.00 173.24 174.71 1ln0 s ALA 21 N -1.98 -1.19 -0.20 5.32 0.00 -0.52 -4.97 121.76 118.22 1ln0 s ALA 21 Ca 0.07 0.28 0.20 0.00 0.00 0.00 0.00 51.96 52.52 1ln0 s ALA 21 Cb -0.06 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.64 1ln0 s ALA 21 CO 0.03 -0.61 0.99 0.87 0.00 0.00 0.00 175.76 177.03 1ln0 h LYS 22 N 2.46 0.00 -2.14 0.00 1.57 -1.88 -1.45 116.57 115.13 1ln0 h LYS 22 Ca -0.33 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.14 1ln0 h LYS 22 Cb 1.25 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 33.23 1ln0 h LYS 22 CO 0.43 0.10 -0.62 0.34 -0.57 0.00 0.00 179.45 179.14 1ln0 s ASP 23 N -5.54 1.48 0.14 0.86 3.68 -1.21 -3.69 116.67 112.40 1ln0 s ASP 23 Ca -0.01 -0.62 -0.29 0.00 2.13 0.00 0.00 52.55 53.76 1ln0 s ASP 23 Cb 0.09 0.57 -0.05 0.00 -1.45 0.00 0.00 42.92 42.08 1ln0 s ASP 23 CO 0.79 -0.38 1.57 -0.26 0.13 0.00 0.00 175.17 177.03 1ln0 h PHE 24 N 8.26 -1.34 -0.77 -5.34 0.04 -0.99 0.59 116.94 117.39 1ln0 h PHE 24 Ca -0.14 0.06 0.08 0.00 2.80 0.00 0.00 57.97 60.77 1ln0 h PHE 24 Cb 1.09 0.63 -0.06 0.00 2.20 0.00 0.00 35.95 39.80 1ln0 h PHE 24 CO 0.25 -0.47 0.44 0.93 -0.60 0.00 0.00 178.31 178.86 1ln0 h GLU 25 N -0.43 0.76 -0.14 1.51 5.08 -1.98 -0.18 114.58 119.20 1ln0 h GLU 25 Ca 0.10 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.40 1ln0 h GLU 25 Cb 0.61 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1ln0 h GLU 25 CO -0.50 0.50 0.05 -0.22 -1.00 0.00 0.00 179.01 177.84 1ln0 h LYS 26 N 0.78 0.22 -0.22 2.33 3.64 -1.83 -1.92 116.57 119.57 1ln0 h LYS 26 Ca 0.36 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1ln0 h LYS 26 Cb 0.27 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.04 1ln0 h LYS 26 CO -0.21 0.33 0.12 0.00 -2.27 0.00 0.00 179.45 177.42 1ln0 h ALA 27 N 0.87 0.28 -0.54 5.00 0.00 -0.45 -1.99 119.26 122.43 1ln0 h ALA 27 Ca 0.05 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ln0 h ALA 27 Cb 0.20 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1ln0 h ALA 27 CO -0.00 -0.20 0.31 -1.49 0.00 0.00 0.00 179.25 177.87 1ln0 h TRP 28 N 0.25 0.71 -0.12 0.00 6.55 -1.00 -0.35 115.95 121.98 1ln0 h TRP 28 Ca 0.08 -0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 1ln0 h TRP 28 Cb 0.05 -0.23 -0.01 0.00 -0.86 0.00 0.00 29.16 28.11 1ln0 h TRP 28 CO -0.04 0.49 0.04 -0.22 -1.05 0.00 0.00 178.44 177.66 1ln0 h LYS 29 N 0.75 0.18 -0.31 0.49 1.63 -1.05 -2.02 116.57 116.24 1ln0 h LYS 29 Ca 0.19 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.88 1ln0 h LYS 29 Cb -0.01 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 31.58 1ln0 h LYS 29 CO -0.03 0.30 -0.14 -0.09 -3.45 0.00 0.00 179.45 176.04 1ln0 h ARG 30 N 0.03 0.54 -0.39 1.90 2.43 -0.75 -1.85 114.38 116.29 1ln0 h ARG 30 Ca 0.04 -0.17 -0.12 0.00 -0.81 0.00 0.00 59.98 58.92 1ln0 h ARG 30 Cb 0.19 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1ln0 h ARG 30 CO -0.00 0.67 -0.23 0.45 -1.51 0.00 0.00 179.97 179.34 1ln0 h HIS 31 N 0.50 0.99 0.00 2.20 3.86 -0.96 -2.18 115.15 119.55 1ln0 h HIS 31 Ca 0.09 -0.26 -0.14 0.00 -1.16 0.00 0.00 60.37 58.90 1ln0 h HIS 31 Cb 0.53 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.76 1ln0 h HIS 31 CO 0.02 1.04 -0.66 0.74 0.86 0.00 0.00 177.93 179.92 1ln0 h PHE 32 N 0.65 0.00 -0.55 2.45 0.04 -1.26 -1.19 116.94 117.07 1ln0 h PHE 32 Ca 0.08 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.74 1ln0 h PHE 32 Cb 0.80 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.93 1ln0 h PHE 32 CO 0.06 0.66 -0.10 1.57 -0.60 0.00 0.00 178.31 179.90 1ln0 h LYS 33 N 0.00 1.05 -0.77 1.51 2.10 -1.29 -0.72 116.57 118.46 1ln0 h LYS 33 Ca -0.01 -0.38 -0.05 0.00 -2.00 0.00 0.00 60.65 58.21 1ln0 h LYS 33 Cb 1.24 -0.07 -0.03 0.00 -0.90 0.00 0.00 32.23 32.47 1ln0 h LYS 33 CO 0.09 1.08 0.30 -0.44 -2.00 0.00 0.00 179.45 178.48 1ln0 h ASP 34 N 0.93 1.05 -0.50 7.07 3.32 -1.14 -1.85 116.42 125.30 1ln0 h ASP 34 Ca 0.14 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 57.00 1ln0 h ASP 34 Cb 0.67 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.93 1ln0 h ASP 34 CO 0.05 0.94 0.18 -0.07 -1.72 0.00 0.00 179.24 178.62 1ln0 h LEU 35 N 1.11 0.71 -1.71 1.55 3.38 -0.85 0.52 115.31 120.03 1ln0 h LEU 35 Ca 0.26 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1ln0 h LEU 35 Cb 0.22 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ln0 h LEU 35 CO -0.02 0.70 0.04 -0.33 0.09 0.00 0.00 178.44 178.92 1ln0 h GLU 36 N 0.67 0.22 -0.01 1.13 5.08 -0.79 -0.79 114.58 120.10 1ln0 h GLU 36 Ca 0.16 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 1ln0 h GLU 36 Cb 0.23 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.44 1ln0 h GLU 36 CO -0.01 0.21 -0.12 1.17 -1.00 0.00 0.00 179.01 179.26 1ln0 n LYS 37 N -4.44 0.94 -1.78 2.33 4.81 -0.73 -4.90 118.16 114.40 1ln0 n LYS 37 Ca -0.01 -0.43 -0.09 0.00 -0.87 0.00 0.00 58.31 56.91 1ln0 n LYS 37 Cb 0.13 -1.49 -0.02 0.00 0.02 0.00 0.00 35.03 33.67 1ln0 n LYS 37 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1ln0 n GLY 38 N 1.25 0.48 0.60 3.14 0.00 -0.30 -4.93 105.19 105.43 1ln0 n GLY 38 Ca 0.16 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.70 1ln0 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ln0 s HIS 40 N -2.98 3.28 0.62 0.00 2.46 -1.18 -4.82 115.29 112.68 1ln0 s HIS 40 Ca 0.37 1.51 0.33 0.00 0.47 0.00 0.00 55.06 57.74 1ln0 s HIS 40 Cb 0.36 -3.51 1.91 0.00 -0.13 0.00 0.00 32.58 31.20 1ln0 s HIS 40 CO -0.07 -1.34 2.19 0.66 -2.47 0.00 0.00 174.74 173.71 1ln0 h SER 41 N 3.79 0.00 -3.47 9.88 4.64 -1.96 -3.36 113.55 123.07 1ln0 h SER 41 Ca -0.48 0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.14 1ln0 h SER 41 Cb 1.22 0.00 -0.20 0.00 -0.31 0.00 0.00 62.40 63.11 1ln0 h SER 41 CO 0.67 0.00 -0.27 -0.55 -0.87 0.00 0.00 176.83 175.82 1ln0 s SER 42 N -5.55 6.17 0.40 4.97 0.15 -1.26 -4.93 113.70 113.65 1ln0 s SER 42 Ca -0.05 -0.85 0.11 0.00 0.70 0.00 0.00 55.95 55.86 1ln0 s SER 42 Cb 0.14 -2.21 0.84 0.00 -1.71 0.00 0.00 66.02 63.08 1ln0 s SER 42 CO 0.48 -0.58 1.93 -0.29 1.20 0.00 0.00 173.24 175.98 1ln0 h ILE 43 N 5.72 1.17 -0.45 6.45 6.09 -1.89 0.16 117.51 134.76 1ln0 h ILE 43 Ca -0.27 -0.79 -0.06 0.00 -1.37 0.00 0.00 64.86 62.37 1ln0 h ILE 43 Cb 1.11 1.31 -0.02 0.00 0.47 0.00 0.00 36.82 39.69 1ln0 h ILE 43 CO 0.80 0.24 0.05 0.11 -3.07 0.00 0.00 178.15 176.28 1ln0 h LYS 44 N 0.13 0.76 -0.38 2.19 1.57 -1.92 0.38 116.57 119.30 1ln0 h LYS 44 Ca 0.03 -0.22 -0.11 0.00 -1.87 0.00 0.00 60.65 58.48 1ln0 h LYS 44 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 1ln0 h LYS 44 CO 0.03 0.80 -0.20 1.25 -0.57 0.00 0.00 179.45 180.75 1ln0 h LEU 45 N 0.62 0.84 -0.46 2.94 5.85 -1.64 -1.59 115.31 121.87 1ln0 h LEU 45 Ca 0.13 -0.41 0.04 0.00 0.84 0.00 0.00 57.88 58.48 1ln0 h LEU 45 Cb 0.42 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1ln0 h LEU 45 CO 0.01 1.06 0.23 -0.61 -0.34 0.00 0.00 178.44 178.80 1ln0 h GLN 46 N 0.61 0.45 -0.57 1.25 5.75 -0.72 0.88 115.11 122.77 1ln0 h GLN 46 Ca 0.08 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 58.48 1ln0 h GLN 46 Cb 0.75 -0.10 -0.02 0.00 1.07 0.00 0.00 27.48 29.18 1ln0 h GLN 46 CO 0.06 0.30 0.05 0.00 -2.65 0.00 0.00 178.83 176.59 1ln0 h ARG 47 N 0.46 0.97 -0.63 1.69 3.08 -0.86 0.14 114.38 119.23 1ln0 h ARG 47 Ca 0.20 -0.28 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1ln0 h ARG 47 Cb 0.11 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.03 1ln0 h ARG 47 CO -0.14 0.94 0.31 1.03 -1.07 0.00 0.00 179.97 181.05 1ln0 h SER 48 N 0.86 0.82 -0.56 7.04 0.87 -0.85 -0.10 113.55 121.63 1ln0 h SER 48 Ca 0.17 -0.12 -0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1ln0 h SER 48 Cb 0.47 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 1ln0 h SER 48 CO 0.02 0.71 0.12 0.15 -0.53 0.00 0.00 176.83 177.30 1ln0 h PHE 49 N 0.86 0.96 -0.43 2.24 3.04 -0.59 0.59 116.94 123.61 1ln0 h PHE 49 Ca 0.22 -0.12 -0.06 0.00 3.98 0.00 0.00 57.97 61.99 1ln0 h PHE 49 Cb 0.10 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 1ln0 h PHE 49 CO -0.00 0.83 0.03 -0.91 -2.02 0.00 0.00 178.31 176.24 1ln0 h ASN 50 N 0.80 0.63 0.17 0.41 2.35 -0.59 -0.32 115.58 119.03 1ln0 h ASN 50 Ca 0.17 -0.13 -0.27 0.00 -0.55 0.00 0.00 56.30 55.52 1ln0 h ASN 50 Cb 0.37 -0.17 0.03 0.00 0.05 0.00 0.00 38.32 38.60 1ln0 h ASN 50 CO 0.01 0.68 -1.16 0.50 -1.65 0.00 0.00 177.43 175.81 1ln0 h LYS 51 N 0.64 0.49 0.00 0.81 3.64 -0.70 -3.40 116.57 118.06 1ln0 h LYS 51 Ca 0.13 -0.75 -0.02 0.00 -1.27 0.00 0.00 60.65 58.74 1ln0 h LYS 51 Cb 0.36 0.27 -0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1ln0 h LYS 51 CO 0.01 1.35 -1.89 0.72 -2.27 0.00 0.00 179.45 177.37 1ln0 n HIS 52 N -3.89 0.00 -3.98 1.91 8.25 0.17 -5.09 115.22 112.59 1ln0 n HIS 52 Ca -0.15 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.31 1ln0 n HIS 52 Cb 0.96 -0.47 0.00 0.00 1.12 0.00 0.00 29.99 31.61 1ln0 n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ln0 n GLY 53 N 1.47 1.20 2.56 -1.41 0.00 -0.13 -4.41 105.19 104.47 1ln0 n GLY 53 Ca -0.05 -0.74 -0.10 0.00 0.00 0.00 0.00 46.02 45.13 1ln0 n GLY 53 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ln0 n ASN 54 N 3.30 2.75 0.00 1.61 5.15 -1.26 -4.16 115.26 122.65 1ln0 n ASN 54 Ca 0.00 -2.07 0.00 0.00 -0.60 0.00 0.00 54.58 51.91 1ln0 n ASN 54 Cb 0.00 -0.75 0.00 0.00 -0.53 0.00 0.00 39.78 38.50 1ln0 n ASN 54 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 1ln0 n VAL 55 N 3.78 0.17 -3.25 3.44 0.24 -1.26 -5.06 118.33 116.38 1ln0 n VAL 55 Ca 0.24 -0.55 -0.37 0.00 -2.04 0.00 0.00 64.34 61.63 1ln0 n VAL 55 Cb 0.19 0.98 -0.06 0.00 -1.47 0.00 0.00 33.84 33.48 1ln0 n VAL 55 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1ln0 s PHE 56 N -0.17 3.70 -0.06 6.34 0.40 -1.26 -1.97 117.98 124.95 1ln0 s PHE 56 Ca 0.00 1.24 0.02 0.00 -0.60 0.00 0.00 56.93 57.59 1ln0 s PHE 56 Cb 0.00 -2.49 0.01 0.00 0.51 0.00 0.00 43.02 41.05 1ln0 s PHE 56 CO 0.00 0.47 -0.13 -2.00 0.70 0.00 0.00 175.22 174.26 1ln0 s GLU 57 N -1.62 1.75 -0.11 0.44 2.12 -0.10 -4.95 118.70 116.24 1ln0 s GLU 57 Ca 0.36 -0.44 -0.10 0.00 0.36 0.00 0.00 54.97 55.14 1ln0 s GLU 57 Cb -0.17 -1.44 -0.05 0.00 0.26 0.00 0.00 34.13 32.73 1ln0 s GLU 57 CO 0.20 0.05 0.22 0.00 -0.54 0.00 0.00 175.26 175.19 1ln0 s SER 59 N -0.69 -0.38 0.01 0.00 1.04 -0.86 -5.02 113.70 107.81 1ln0 s SER 59 Ca 0.16 -0.05 -0.25 0.00 0.48 0.00 0.00 55.95 56.30 1ln0 s SER 59 Cb -0.13 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.44 1ln0 s SER 59 CO 0.05 -0.81 0.75 -0.63 0.98 0.00 0.00 173.24 173.59 1ln0 s ILE 60 N -3.17 4.82 -0.22 -1.02 1.01 -1.26 -1.44 121.20 119.92 1ln0 s ILE 60 Ca -0.01 1.59 -0.00 0.00 0.00 0.00 0.00 60.65 62.23 1ln0 s ILE 60 Cb 0.00 -4.10 -0.20 0.00 0.01 0.00 0.00 42.46 38.18 1ln0 s ILE 60 CO -0.08 0.33 -0.06 0.18 0.00 0.00 0.00 174.94 175.31 1ln0 n LEU 61 N 3.08 2.84 -3.66 2.97 4.77 0.36 -4.91 117.00 122.45 1ln0 n LEU 61 Ca -0.02 -0.04 -0.07 0.00 -0.03 0.00 0.00 56.01 55.85 1ln0 n LEU 61 Cb 0.51 -0.94 -0.08 0.00 -2.33 0.00 0.00 43.42 40.57 1ln0 n LEU 61 CO 0.47 0.91 0.13 -0.70 -1.33 0.00 0.00 177.39 176.87 1ln0 s GLU 62 N -2.53 0.45 -0.26 3.23 2.12 -0.77 -4.98 118.70 115.95 1ln0 s GLU 62 Ca -0.31 1.12 -0.19 0.00 0.36 0.00 0.00 54.97 55.96 1ln0 s GLU 62 Cb 0.08 0.39 -0.02 0.00 0.26 0.00 0.00 34.13 34.83 1ln0 s GLU 62 CO 0.65 -0.21 0.55 -2.00 -0.54 0.00 0.00 175.26 173.71 1ln0 s GLU 63 N 2.35 4.08 -0.05 4.30 2.12 -1.26 -0.03 118.70 130.20 1ln0 s GLU 63 Ca -0.05 0.39 -0.26 0.00 0.36 0.00 0.00 54.97 55.41 1ln0 s GLU 63 Cb -0.10 -3.65 0.06 0.00 0.26 0.00 0.00 34.13 30.69 1ln0 s GLU 63 CO -0.15 -0.37 0.56 0.96 -0.54 0.00 0.00 175.26 175.72 1ln0 s ILE 64 N 2.37 0.02 0.51 -3.70 -4.36 -0.66 -4.96 121.20 110.42 1ln0 s ILE 64 Ca 0.23 -0.14 -0.23 0.00 -0.26 0.00 0.00 60.65 60.25 1ln0 s ILE 64 Cb -0.16 -0.87 -0.07 0.00 1.25 0.00 0.00 42.46 42.61 1ln0 s ILE 64 CO 0.09 -0.08 1.26 -0.81 0.24 0.00 0.00 174.94 175.64 1ln0 n PRO 65 N 1.12 1.65 -2.40 0.37 -0.04 -1.26 -3.04 135.00 131.40 1ln0 n PRO 65 Ca -0.19 0.60 -0.37 0.00 -0.04 0.00 0.00 63.50 63.49 1ln0 n PRO 65 Cb 0.57 -2.44 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 1ln0 n PRO 65 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 1ln0 s TYR 66 N -1.29 2.43 -0.33 0.54 6.14 -1.26 -4.78 117.35 118.79 1ln0 s TYR 66 Ca 0.68 -0.72 -0.05 0.00 0.64 0.00 0.00 57.07 57.62 1ln0 s TYR 66 Cb -0.45 -4.49 0.05 0.00 0.42 0.00 0.00 41.96 37.49 1ln0 s TYR 66 CO 0.52 -1.68 0.08 -2.00 0.64 0.00 0.00 175.55 173.11 1ln0 s GLU 67 N 5.22 2.51 0.00 4.97 -6.30 -1.26 -5.02 118.70 118.82 1ln0 s GLU 67 Ca 0.58 -1.26 -0.01 0.00 -2.50 0.00 0.00 54.97 51.77 1ln0 s GLU 67 Cb 0.01 -3.38 -0.00 0.00 0.00 0.00 0.00 34.13 30.76 1ln0 s GLU 67 CO 0.05 -0.69 0.22 1.17 0.02 0.00 0.00 175.26 176.03 1ln0 n LYS 68 N 4.73 -0.01 -0.07 4.30 4.81 -1.26 -0.46 118.16 130.20 1ln0 n LYS 68 Ca -0.12 0.22 -0.08 0.00 -0.87 0.00 0.00 58.31 57.46 1ln0 n LYS 68 Cb 0.44 -0.32 -0.01 0.00 0.02 0.00 0.00 35.03 35.16 1ln0 n LYS 68 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1ln0 h ASP 69 N 0.00 0.16 -0.10 3.14 5.19 -1.99 0.45 116.42 123.27 1ln0 h ASP 69 Ca 0.00 0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.44 1ln0 h ASP 69 Cb 0.01 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.51 1ln0 h ASP 69 CO -0.03 0.13 0.06 0.25 -3.12 0.00 0.00 179.24 176.53 1ln0 h LEU 70 N 0.26 0.11 -0.40 1.55 5.85 -1.47 -1.01 115.31 120.21 1ln0 h LEU 70 Ca 0.12 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1ln0 h LEU 70 Cb 0.06 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 1ln0 h LEU 70 CO -0.10 0.09 0.08 0.40 -0.34 0.00 0.00 178.44 178.57 1ln0 h ILE 71 N 0.13 0.80 -0.43 4.05 1.08 -0.47 -0.39 117.51 122.27 1ln0 h ILE 71 Ca 0.04 -0.07 0.03 0.00 -0.39 0.00 0.00 64.86 64.46 1ln0 h ILE 71 Cb -0.01 0.57 -0.03 0.00 -3.07 0.00 0.00 36.82 34.28 1ln0 h ILE 71 CO -0.01 0.04 0.24 0.40 -0.69 0.00 0.00 178.15 178.13 1ln0 h ILE 72 N 0.21 1.00 -0.33 -0.67 2.04 -0.61 0.36 117.51 119.52 1ln0 h ILE 72 Ca 0.19 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.89 1ln0 h ILE 72 Cb 0.23 0.49 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 1ln0 h ILE 72 CO -0.25 0.09 0.20 -0.08 0.00 0.00 0.00 178.15 178.11 1ln0 h GLU 73 N 0.47 0.45 0.00 2.37 4.81 -0.61 -0.57 114.58 121.51 1ln0 h GLU 73 Ca 0.18 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.23 1ln0 h GLU 73 Cb 0.06 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.32 1ln0 h GLU 73 CO -0.11 0.34 -0.66 0.00 -0.73 0.00 0.00 179.01 177.86 1ln0 h ARG 74 N 0.43 0.00 0.03 1.92 2.47 -0.85 -0.18 114.38 118.20 1ln0 h ARG 74 Ca 0.12 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.84 1ln0 h ARG 74 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ln0 h ARG 74 CO -0.02 0.66 -0.01 1.49 0.56 0.00 0.00 179.97 182.64 1ln0 h GLU 75 N 0.00 -0.04 -0.44 0.04 4.81 0.06 -1.42 114.58 117.59 1ln0 h GLU 75 Ca -0.01 0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1ln0 h GLU 75 Cb 1.19 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 1ln0 h GLU 75 CO 0.09 0.08 -0.03 -0.91 -0.73 0.00 0.00 179.01 177.51 1ln0 h ASN 76 N -0.15 0.71 -0.19 1.04 2.35 -0.97 -1.58 115.58 116.79 1ln0 h ASN 76 Ca -0.00 -0.18 0.03 0.00 -0.55 0.00 0.00 56.30 55.60 1ln0 h ASN 76 Cb 0.14 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1ln0 h ASN 76 CO 0.01 0.80 0.01 0.15 -1.65 0.00 0.00 177.43 176.75 1ln0 h PHE 77 N 0.69 0.01 -0.27 1.19 3.57 -0.64 -1.90 116.94 119.60 1ln0 h PHE 77 Ca 0.13 0.01 -0.14 0.00 3.53 0.00 0.00 57.97 61.51 1ln0 h PHE 77 Cb 0.47 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1ln0 h PHE 77 CO 0.02 -0.01 -0.39 -1.49 -2.23 0.00 0.00 178.31 174.21 1ln0 h TRP 78 N 0.08 0.75 -0.45 0.41 4.06 -1.06 -0.03 115.95 119.70 1ln0 h TRP 78 Ca 0.09 -0.21 0.02 0.00 2.06 0.00 0.00 58.89 60.84 1ln0 h TRP 78 Cb 0.10 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.07 1ln0 h TRP 78 CO -0.16 0.92 0.26 0.82 -3.56 0.00 0.00 178.44 176.72 1ln0 h ILE 79 N 0.52 1.04 -0.32 1.49 2.04 -1.09 0.21 117.51 121.40 1ln0 h ILE 79 Ca 0.05 -0.18 -0.18 0.00 1.00 0.00 0.00 64.86 65.55 1ln0 h ILE 79 Cb 0.90 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1ln0 h ILE 79 CO 0.08 0.10 -0.49 0.50 0.00 0.00 0.00 178.15 178.34 1ln0 h LYS 80 N 0.53 0.90 -0.52 2.37 3.64 -1.24 0.20 116.57 122.45 1ln0 h LYS 80 Ca 0.18 -0.54 -0.03 0.00 -1.27 0.00 0.00 60.65 58.99 1ln0 h LYS 80 Cb 0.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1ln0 h LYS 80 CO -0.09 1.18 0.18 1.49 -2.27 0.00 0.00 179.45 179.95 1ln0 h GLU 81 N 0.70 0.76 -0.08 1.90 4.57 -0.61 -2.69 114.58 119.12 1ln0 h GLU 81 Ca 0.03 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1ln0 h GLU 81 Cb 1.09 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.55 1ln0 h GLU 81 CO 0.11 0.64 0.00 1.28 -1.18 0.00 0.00 179.01 179.87 1ln0 n LEU 82 N -4.32 2.98 -3.91 1.64 4.77 0.70 -4.95 117.00 113.90 1ln0 n LEU 82 Ca 0.04 -1.04 -0.30 0.00 -0.03 0.00 0.00 56.01 54.68 1ln0 n LEU 82 Cb 0.18 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 1ln0 n LEU 82 CO 0.39 0.52 0.08 -3.20 -1.33 0.00 0.00 177.39 173.85 1ln0 n ASN 83 N 1.30 -4.37 0.00 -1.43 4.05 0.56 -4.86 115.26 110.51 1ln0 n ASN 83 Ca 0.15 -0.80 0.13 0.00 0.45 0.00 0.00 54.58 54.52 1ln0 n ASN 83 Cb 0.59 -3.84 0.71 0.00 1.23 0.00 0.00 39.78 38.47 1ln0 n ASN 83 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 177.26 172.67 1ln0 n SER 84 N -2.85 0.00 -0.11 1.20 3.41 -0.42 -1.65 113.62 113.20 1ln0 n SER 84 Ca 0.01 -0.34 -0.25 0.00 -0.26 0.00 0.00 58.87 58.03 1ln0 n SER 84 Cb 0.54 -0.19 -0.11 0.00 -0.26 0.00 0.00 64.21 64.19 1ln0 n SER 84 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ln0 n LYS 85 N -1.19 0.61 -0.02 4.33 5.02 -1.26 -0.96 118.16 124.68 1ln0 n LYS 85 Ca 0.15 0.36 -0.16 0.00 -2.02 0.00 0.00 58.31 56.64 1ln0 n LYS 85 Cb 0.17 -1.61 -0.13 0.00 -0.02 0.00 0.00 35.03 33.44 1ln0 n LYS 85 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 1ln0 h ILE 86 N -0.73 1.63 -1.19 -0.18 2.04 -1.86 -3.37 117.51 113.85 1ln0 h ILE 86 Ca -0.53 -2.26 -0.58 0.00 1.00 0.00 0.00 64.86 62.48 1ln0 h ILE 86 Cb 1.60 3.13 -0.41 0.00 -0.74 0.00 0.00 36.82 40.40 1ln0 h ILE 86 CO -0.24 0.61 -0.62 -3.20 0.00 0.00 0.00 178.15 174.70 1ln0 n ASN 87 N -4.44 5.05 -0.58 1.72 5.15 -0.66 -5.01 115.26 116.49 1ln0 n ASN 87 Ca -0.11 -3.74 0.00 0.00 -0.60 0.00 0.00 54.58 50.13 1ln0 n ASN 87 Cb 0.58 -0.46 0.00 0.00 -0.53 0.00 0.00 39.78 39.38 1ln0 n ASN 87 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ln0 n GLY 88 N -0.60 3.18 0.87 8.20 0.00 -1.16 -4.55 105.19 111.14 1ln0 n GLY 88 Ca 0.43 -1.15 0.10 0.00 0.00 0.00 0.00 46.02 45.41 1ln0 n GLY 88 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ln0 n TYR 89 N 0.00 0.11 -2.50 1.61 4.02 -0.12 -4.69 117.16 115.59 1ln0 n TYR 89 Ca 0.00 -0.07 -0.34 0.00 -0.01 0.00 0.00 57.90 57.48 1ln0 n TYR 89 Cb 0.00 -0.00 -0.03 0.00 -0.02 0.00 0.00 39.34 39.29 1ln0 n TYR 89 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 1ln0 s ASN 90 N -1.62 6.30 0.06 7.72 -0.87 -0.14 -4.33 114.94 122.06 1ln0 s ASN 90 Ca 0.27 1.92 -0.31 0.00 -1.57 0.00 0.00 52.86 53.17 1ln0 s ASN 90 Cb 0.18 -2.56 -0.07 0.00 -0.02 0.00 0.00 41.25 38.78 1ln0 s ASN 90 CO 0.26 -0.81 1.48 -0.63 -2.57 0.00 0.00 177.10 174.83 1ln0 s ILE 91 N -2.02 3.34 0.46 0.60 1.01 -1.26 -4.44 121.20 118.89 1ln0 s ILE 91 Ca 0.67 0.84 -0.23 0.00 0.00 0.00 0.00 60.65 61.94 1ln0 s ILE 91 Cb -0.16 -3.54 -0.07 0.00 0.01 0.00 0.00 42.46 38.69 1ln0 s ILE 91 CO 0.21 0.02 1.15 0.00 0.00 0.00 0.00 174.94 176.33 1ln0 s ALA 92 N 2.01 2.97 -2.00 9.38 0.00 -1.26 -4.93 121.76 127.93 1ln0 s ALA 92 Ca 0.67 0.90 0.16 0.00 0.00 0.00 0.00 51.96 53.70 1ln0 s ALA 92 Cb -0.36 -3.37 0.97 0.00 0.00 0.00 0.00 23.12 20.36 1ln0 s ALA 92 CO 0.29 -0.61 1.38 -0.25 0.00 0.00 0.00 175.76 176.57