#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0o n PRO 2 N 0.00 1.82 -4.84 0.00 -0.02 -1.26 -5.01 135.00 125.68 1j0o n PRO 2 Ca 0.00 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.80 1j0o n PRO 2 Cb 0.00 -2.33 -0.13 0.00 -0.02 0.00 0.00 33.50 31.02 1j0o n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j0o s LYS 3 N -2.19 2.75 0.45 -0.52 1.02 -1.26 -5.10 119.74 114.89 1j0o s LYS 3 Ca 0.62 -0.68 -0.25 0.00 0.02 0.00 0.00 55.97 55.67 1j0o s LYS 3 Cb -0.51 -2.46 -0.08 0.00 -0.52 0.00 0.00 37.83 34.26 1j0o s LYS 3 CO 0.57 0.52 1.41 0.00 -0.92 0.00 0.00 175.35 176.94 1j0o s ALA 4 N -0.45 3.23 0.97 5.17 0.00 -1.26 -5.00 121.76 124.41 1j0o s ALA 4 Ca 0.06 1.44 -0.16 0.00 0.00 0.00 0.00 51.96 53.30 1j0o s ALA 4 Cb -0.12 -3.58 0.20 0.00 0.00 0.00 0.00 23.12 19.61 1j0o s ALA 4 CO 0.02 -1.17 1.29 -1.25 0.00 0.00 0.00 175.76 174.65 1j0o s PRO 5 N -2.45 0.61 0.69 0.00 0.04 -1.26 -5.04 135.00 127.60 1j0o s PRO 5 Ca 0.61 -0.32 -0.16 0.00 0.04 0.00 0.00 61.00 61.16 1j0o s PRO 5 Cb -0.43 -1.83 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1j0o s PRO 5 CO 0.55 -2.45 1.22 0.00 0.04 0.00 0.00 177.00 176.36 1j0o s ALA 6 N -3.78 2.25 0.95 8.56 0.00 -1.26 -4.69 121.76 123.79 1j0o s ALA 6 Ca 0.72 0.94 -0.12 0.00 0.00 0.00 0.00 51.96 53.51 1j0o s ALA 6 Cb -0.05 -3.47 0.16 0.00 0.00 0.00 0.00 23.12 19.76 1j0o s ALA 6 CO 0.53 -1.68 1.09 -0.51 0.00 0.00 0.00 175.76 175.19 1j0o s ASP 7 N -1.88 2.92 0.00 0.00 1.01 -1.26 -4.20 116.67 113.25 1j0o s ASP 7 Ca 0.76 1.51 0.00 0.00 0.71 0.00 0.00 52.55 55.53 1j0o s ASP 7 Cb -0.30 -2.18 0.00 0.00 1.01 0.00 0.00 42.92 41.45 1j0o s ASP 7 CO 0.42 -2.99 0.00 0.61 0.21 0.00 0.00 175.17 173.42 1j0o n GLY 8 N -0.72 0.58 3.68 0.21 0.00 -1.21 -5.01 105.19 102.72 1j0o n GLY 8 Ca 0.07 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 1j0o n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j0o s LEU 9 N 0.00 4.25 -0.29 0.99 0.20 -0.77 -4.85 118.68 118.22 1j0o s LEU 9 Ca 0.00 1.70 -0.16 0.00 0.69 0.00 0.00 54.13 56.35 1j0o s LEU 9 Cb 0.00 -3.55 -0.03 0.00 -0.43 0.00 0.00 46.19 42.18 1j0o s LEU 9 CO 0.00 -0.57 0.43 -0.75 -0.29 0.00 0.00 176.35 175.17 1j0o s LYS 10 N 2.35 3.93 -0.39 1.98 2.20 -1.26 0.06 119.74 128.62 1j0o s LYS 10 Ca 0.53 0.05 -0.24 0.00 -0.36 0.00 0.00 55.97 55.95 1j0o s LYS 10 Cb -0.22 -3.69 0.01 0.00 -1.51 0.00 0.00 37.83 32.42 1j0o s LYS 10 CO 0.19 -0.38 0.82 -1.64 -0.36 0.00 0.00 175.35 173.98 1j0o s MET 11 N 2.18 3.69 -0.27 4.03 -1.94 0.59 -4.93 119.30 122.66 1j0o s MET 11 Ca 0.17 0.28 0.21 0.00 -1.71 0.00 0.00 55.69 54.64 1j0o s MET 11 Cb -0.16 -3.84 0.50 0.00 2.01 0.00 0.00 34.83 33.35 1j0o s MET 11 CO 0.10 -0.94 1.11 -0.40 -0.01 0.00 0.00 175.02 174.88 1j0o n ASP 12 N 6.59 1.83 0.17 3.03 5.75 -1.26 -1.39 116.55 131.28 1j0o n ASP 12 Ca 0.04 -2.20 0.13 0.00 -0.01 0.00 0.00 54.79 52.75 1j0o n ASP 12 Cb 0.48 -0.47 0.40 0.00 -1.03 0.00 0.00 41.12 40.50 1j0o n ASP 12 CO 0.00 0.00 0.00 0.11 -0.11 0.00 0.00 177.20 177.20 1j0o h LYS 13 N 2.60 0.00 -5.20 0.11 1.79 -1.95 -3.47 116.57 110.44 1j0o h LYS 13 Ca -0.10 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.77 1j0o h LYS 13 Cb 1.28 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 31.80 1j0o h LYS 13 CO 0.24 0.00 -0.54 0.95 -1.08 0.00 0.00 179.45 179.03 1j0o s THR 14 N -3.26 1.07 -1.83 -0.16 -4.23 -1.26 -5.05 115.64 100.91 1j0o s THR 14 Ca 0.07 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.89 1j0o s THR 14 Cb 0.09 -2.43 0.79 0.00 1.34 0.00 0.00 72.50 72.29 1j0o s THR 14 CO 0.57 0.00 2.16 0.29 -0.54 0.00 0.00 174.62 177.10 1j0o n LYS 15 N -1.02 0.82 -2.94 3.99 5.02 -1.26 -3.88 118.16 118.90 1j0o n LYS 15 Ca -0.10 0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.87 1j0o n LYS 15 Cb 0.66 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 34.15 1j0o n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1j0o n GLN 16 N -1.08 3.85 -1.64 1.97 1.13 -1.26 -5.10 117.38 115.24 1j0o n GLN 16 Ca 0.21 -4.76 -0.34 0.00 -1.94 0.00 0.00 57.00 50.17 1j0o n GLN 16 Cb 0.15 -2.33 0.07 0.00 0.11 0.00 0.00 30.24 28.24 1j0o n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1j0o s PRO 17 N -3.51 2.50 -0.01 -1.09 0.04 -1.25 -5.01 135.00 126.67 1j0o s PRO 17 Ca 0.43 1.65 0.01 0.00 0.04 0.00 0.00 61.00 63.14 1j0o s PRO 17 Cb 0.22 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.87 1j0o s PRO 17 CO -0.10 -1.53 -0.04 0.08 0.04 0.00 0.00 177.00 175.45 1j0o s VAL 18 N -2.03 0.37 -0.03 -0.36 1.01 -0.48 -4.88 120.40 113.99 1j0o s VAL 18 Ca 0.72 -0.15 -0.19 0.00 0.00 0.00 0.00 61.98 62.37 1j0o s VAL 18 Cb -0.26 -0.34 -0.05 0.00 0.00 0.00 0.00 36.38 35.72 1j0o s VAL 18 CO 0.42 0.13 0.54 -0.69 0.00 0.00 0.00 175.10 175.50 1j0o s VAL 19 N 0.21 4.99 -0.14 2.92 1.01 -1.26 -0.30 120.40 127.83 1j0o s VAL 19 Ca -0.02 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1j0o s VAL 19 Cb -0.06 -3.87 -0.01 0.00 0.00 0.00 0.00 36.38 32.44 1j0o s VAL 19 CO -0.00 0.42 -0.16 0.12 0.00 0.00 0.00 175.10 175.48 1j0o s PHE 20 N -0.14 2.76 -0.26 5.22 5.36 0.11 -4.95 117.98 126.09 1j0o s PHE 20 Ca 0.29 -0.87 -0.02 0.00 -0.96 0.00 0.00 56.93 55.37 1j0o s PHE 20 Cb -0.17 -1.84 0.03 0.00 -0.34 0.00 0.00 43.02 40.69 1j0o s PHE 20 CO 0.15 -0.35 -0.04 -0.80 -1.46 0.00 0.00 175.22 172.71 1j0o s ASN 21 N 0.54 4.42 0.39 6.13 0.01 -1.26 -1.85 114.94 123.33 1j0o s ASN 21 Ca -0.10 -0.88 0.07 0.00 -0.71 0.00 0.00 52.86 51.25 1j0o s ASN 21 Cb -0.16 -1.69 0.80 0.00 0.41 0.00 0.00 41.25 40.61 1j0o s ASN 21 CO 0.04 -0.14 1.98 0.45 -1.51 0.00 0.00 177.10 177.92 1j0o h HIS 22 N 8.03 0.42 0.00 2.20 3.86 -1.84 -2.89 115.15 124.93 1j0o h HIS 22 Ca -0.32 -0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 58.85 1j0o h HIS 22 Cb 1.11 -0.13 -0.00 0.00 1.06 0.00 0.00 27.41 29.44 1j0o h HIS 22 CO 0.58 0.37 -0.12 0.66 0.86 0.00 0.00 177.93 180.29 1j0o h SER 23 N 0.42 0.00 0.18 2.45 4.64 -1.94 0.11 113.55 119.40 1j0o h SER 23 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 1j0o h SER 23 Cb 0.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1j0o h SER 23 CO -0.00 0.12 -0.10 0.35 -0.87 0.00 0.00 176.83 176.32 1j0o n THR 24 N -3.45 0.00 -1.16 2.95 -2.24 -1.09 -4.00 114.28 105.30 1j0o n THR 24 Ca -0.01 -0.13 0.05 0.00 -2.27 0.00 0.00 64.05 61.69 1j0o n THR 24 Cb 0.28 0.16 0.22 0.00 -2.10 0.00 0.00 70.33 68.89 1j0o n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1j0o n HIS 25 N -0.55 0.81 0.38 4.78 8.25 0.02 -4.74 115.22 124.16 1j0o n HIS 25 Ca 0.16 -1.12 0.12 0.00 -0.26 0.00 0.00 57.72 56.62 1j0o n HIS 25 Cb 0.30 -0.34 0.50 0.00 1.12 0.00 0.00 29.99 31.58 1j0o n HIS 25 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1j0o n LYS 26 N -0.86 0.20 0.00 -0.41 5.02 -1.22 -2.06 118.16 118.83 1j0o n LYS 26 Ca 0.24 0.44 0.14 0.00 -2.02 0.00 0.00 58.31 57.11 1j0o n LYS 26 Cb 0.89 -1.89 0.69 0.00 -0.02 0.00 0.00 35.03 34.70 1j0o n LYS 26 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j0o n ALA 27 N -1.78 2.38 -2.96 7.82 0.00 -1.26 -4.67 120.51 120.03 1j0o n ALA 27 Ca 0.02 -0.13 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 1j0o n ALA 27 Cb 0.22 -1.46 -0.12 0.00 0.00 0.00 0.00 19.45 18.10 1j0o n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1j0o s VAL 28 N -2.63 4.24 0.46 0.00 1.01 -0.87 -5.09 120.40 117.52 1j0o s VAL 28 Ca 0.25 -0.22 -0.25 0.00 0.00 0.00 0.00 61.98 61.76 1j0o s VAL 28 Cb 0.19 -2.91 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 1j0o s VAL 28 CO 0.44 0.44 1.42 -0.75 0.00 0.00 0.00 175.10 176.66 1j0o s LYS 29 N 0.72 3.61 0.24 2.72 2.20 -1.26 -4.92 119.74 123.05 1j0o s LYS 29 Ca 0.01 2.41 -0.05 0.00 -0.36 0.00 0.00 55.97 57.98 1j0o s LYS 29 Cb -0.14 -2.60 0.41 0.00 -1.51 0.00 0.00 37.83 33.99 1j0o s LYS 29 CO 0.02 -0.88 1.77 0.00 -0.36 0.00 0.00 175.35 175.90 1j0o n GLY 31 N -1.31 -0.93 0.21 0.00 0.00 -1.26 -1.26 105.19 100.64 1j0o n GLY 31 Ca 0.13 -0.10 0.08 0.00 0.00 0.00 0.00 46.02 46.14 1j0o n GLY 31 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j0o h ASP 32 N 0.00 0.00 0.00 1.61 5.19 -1.61 -3.24 116.42 118.36 1j0o h ASP 32 Ca 0.00 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.12 1j0o h ASP 32 Cb 0.18 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.65 1j0o h ASP 32 CO 0.00 0.29 -1.95 0.00 -3.12 0.00 0.00 179.24 174.46 1j0o n HIS 34 N -3.88 3.44 -1.82 0.00 8.25 -0.39 -4.96 115.22 115.87 1j0o n HIS 34 Ca -0.35 -2.91 -0.30 0.00 -0.26 0.00 0.00 57.72 53.90 1j0o n HIS 34 Cb 0.73 -2.22 0.04 0.00 1.12 0.00 0.00 29.99 29.66 1j0o n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 1j0o s HIS 35 N 1.69 3.35 0.34 4.41 -0.00 -1.22 -3.38 115.29 120.48 1j0o s HIS 35 Ca 0.43 1.17 -0.29 0.00 -0.00 0.00 0.00 55.06 56.37 1j0o s HIS 35 Cb 0.10 -2.95 -0.11 0.00 -0.00 0.00 0.00 32.58 29.62 1j0o s HIS 35 CO -0.02 -1.09 1.51 -2.14 -0.00 0.00 0.00 174.74 173.00 1j0o s PRO 36 N -5.25 4.13 -0.05 -0.38 0.02 -1.26 -1.61 135.00 130.59 1j0o s PRO 36 Ca 0.57 2.55 -0.01 0.00 0.02 0.00 0.00 61.00 64.14 1j0o s PRO 36 Cb -0.12 -3.00 0.03 0.00 0.02 0.00 0.00 34.50 31.43 1j0o s PRO 36 CO 0.53 -0.54 -0.00 0.08 -0.33 0.00 0.00 177.00 176.73 1j0o s VAL 37 N -0.74 0.33 -1.58 3.83 1.01 0.04 -4.76 120.40 118.53 1j0o s VAL 37 Ca 0.56 0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.48 1j0o s VAL 37 Cb -0.46 -0.45 0.11 0.00 0.00 0.00 0.00 36.38 35.57 1j0o s VAL 37 CO 0.57 0.22 0.90 0.59 0.00 0.00 0.00 175.10 177.38 1j0o n ASN 38 N 4.71 -4.37 0.00 3.32 3.02 -1.26 -1.72 115.26 118.95 1j0o n ASN 38 Ca -0.15 -0.82 0.00 0.00 -0.03 0.00 0.00 54.58 53.58 1j0o n ASN 38 Cb 0.50 -3.51 0.00 0.00 -0.61 0.00 0.00 39.78 36.16 1j0o n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1j0o n GLY 39 N -1.57 0.88 3.12 7.41 0.00 -1.26 -5.02 105.19 108.75 1j0o n GLY 39 Ca 0.05 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 1j0o n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j0o s LYS 40 N -0.04 1.95 0.22 1.61 1.02 -0.70 -4.97 119.74 118.83 1j0o s LYS 40 Ca 0.00 -0.60 -0.32 0.00 0.02 0.00 0.00 55.97 55.07 1j0o s LYS 40 Cb 0.00 -1.63 -0.13 0.00 -0.52 0.00 0.00 37.83 35.55 1j0o s LYS 40 CO 0.00 0.18 1.58 0.39 -0.92 0.00 0.00 175.35 176.59 1j0o n GLU 41 N 3.36 2.43 -3.96 1.68 1.02 -1.26 -0.78 120.64 123.12 1j0o n GLU 41 Ca -0.19 0.87 -0.35 0.00 -0.02 0.00 0.00 57.16 57.47 1j0o n GLU 41 Cb 0.53 -2.64 -0.14 0.00 -0.02 0.00 0.00 31.44 29.17 1j0o n GLU 41 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1j0o s ASP 42 N 0.74 4.43 -0.13 1.62 -1.08 -0.64 -4.88 116.67 116.74 1j0o s ASP 42 Ca 0.72 -0.34 0.16 0.00 -0.52 0.00 0.00 52.55 52.57 1j0o s ASP 42 Cb -0.58 -1.76 0.62 0.00 -1.46 0.00 0.00 42.92 39.74 1j0o s ASP 42 CO 0.41 0.00 1.54 -1.22 0.52 0.00 0.00 175.17 176.43 1j0o n TYR 43 N 4.66 1.28 -1.35 -5.34 4.01 -1.26 -4.10 117.16 115.06 1j0o n TYR 43 Ca -0.18 -0.68 -0.31 0.00 -0.16 0.00 0.00 57.90 56.58 1j0o n TYR 43 Cb 0.51 -0.27 0.09 0.00 -0.31 0.00 0.00 39.34 39.37 1j0o n TYR 43 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 1j0o s GLN 44 N -2.09 2.19 0.40 -0.72 -0.21 -1.26 -4.98 119.66 112.99 1j0o s GLN 44 Ca 0.45 1.00 -0.26 0.00 0.02 0.00 0.00 55.36 56.56 1j0o s GLN 44 Cb 0.31 -1.90 -0.10 0.00 1.00 0.00 0.00 33.01 32.32 1j0o s GLN 44 CO 0.18 -1.64 1.31 1.63 -2.12 0.00 0.00 175.29 174.65 1j0o n LYS 45 N -3.50 2.09 0.17 2.91 5.02 -1.26 -4.84 118.16 118.75 1j0o n LYS 45 Ca 0.08 0.74 0.07 0.00 -2.02 0.00 0.00 58.31 57.18 1j0o n LYS 45 Cb 0.54 -2.42 0.57 0.00 -0.02 0.00 0.00 35.03 33.70 1j0o n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j0o n ALA 47 N -2.52 3.01 -1.54 0.00 0.00 -1.26 -1.20 120.51 117.00 1j0o n ALA 47 Ca -0.01 -1.42 -0.43 0.00 0.00 0.00 0.00 53.44 51.58 1j0o n ALA 47 Cb 0.08 -1.02 -0.00 0.00 0.00 0.00 0.00 19.45 18.51 1j0o n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1j0o n THR 48 N 1.06 2.09 -1.63 0.00 -1.04 -0.71 -4.35 114.28 109.69 1j0o n THR 48 Ca 0.24 -0.50 -0.47 0.00 -2.04 0.00 0.00 64.05 61.28 1j0o n THR 48 Cb 0.81 -0.84 -0.03 0.00 -1.82 0.00 0.00 70.33 68.44 1j0o n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1j0o n ALA 49 N -0.38 0.37 -0.15 2.41 0.00 -1.26 -0.46 120.51 121.04 1j0o n ALA 49 Ca 0.11 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.98 1j0o n ALA 49 Cb 0.36 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.63 1j0o n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1j0o n GLY 50 N 2.18 1.49 0.00 0.00 0.00 -1.26 -4.98 105.19 102.63 1j0o n GLY 50 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1j0o n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0o n HIS 52 N 0.00 2.69 0.29 0.00 8.25 -0.34 -4.60 115.22 121.51 1j0o n HIS 52 Ca 0.00 -2.73 0.10 0.00 -0.26 0.00 0.00 57.72 54.83 1j0o n HIS 52 Cb 0.00 -1.73 0.17 0.00 1.12 0.00 0.00 29.99 29.55 1j0o n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1j0o n ASP 53 N 2.63 3.12 -4.56 0.41 5.75 -1.05 -4.18 116.55 118.66 1j0o n ASP 53 Ca 0.42 -1.91 -0.42 0.00 -0.01 0.00 0.00 54.79 52.87 1j0o n ASP 53 Cb 0.33 -0.19 -0.06 0.00 -1.03 0.00 0.00 41.12 40.16 1j0o n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1j0o s ASN 54 N -1.35 6.44 -0.03 -1.12 2.47 -0.69 -4.91 114.94 115.76 1j0o s ASN 54 Ca 0.32 0.11 0.11 0.00 0.42 0.00 0.00 52.86 53.81 1j0o s ASN 54 Cb 0.19 -2.35 0.35 0.00 -1.45 0.00 0.00 41.25 37.99 1j0o s ASN 54 CO 0.26 -0.69 1.24 0.23 -3.72 0.00 0.00 177.10 174.43 1j0o n MET 55 N 6.23 2.12 -2.53 0.43 2.81 -1.26 -1.69 117.12 123.23 1j0o n MET 55 Ca 0.00 -1.40 -0.42 0.00 -1.81 0.00 0.00 57.70 54.06 1j0o n MET 55 Cb 0.48 -1.42 -0.02 0.00 -0.71 0.00 0.00 33.22 31.55 1j0o n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1j0o s ASP 56 N -0.86 6.43 0.13 7.83 3.68 -1.26 -4.90 116.67 127.72 1j0o s ASP 56 Ca 0.26 0.33 0.17 0.00 2.13 0.00 0.00 52.55 55.44 1j0o s ASP 56 Cb 0.15 -2.55 0.73 0.00 -1.45 0.00 0.00 42.92 39.80 1j0o s ASP 56 CO 0.15 -1.45 1.51 2.29 0.13 0.00 0.00 175.17 177.80 1j0o n LYS 57 N 8.26 0.09 0.02 4.34 2.85 -1.26 -1.54 118.16 130.92 1j0o n LYS 57 Ca 0.11 0.40 0.12 0.00 -1.05 0.00 0.00 58.31 57.90 1j0o n LYS 57 Cb 0.49 -1.69 0.32 0.00 -0.65 0.00 0.00 35.03 33.50 1j0o n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 1j0o n LYS 58 N -1.86 0.07 -2.40 -1.58 5.02 -1.26 -4.68 118.16 111.48 1j0o n LYS 58 Ca 0.02 0.03 -0.42 0.00 -2.02 0.00 0.00 58.31 55.92 1j0o n LYS 58 Cb 0.15 -1.55 -0.03 0.00 -0.02 0.00 0.00 35.03 33.57 1j0o n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1j0o s ASP 59 N -3.33 7.06 0.00 4.39 2.15 -0.59 -4.91 116.67 121.44 1j0o s ASP 59 Ca 0.11 2.07 0.15 0.00 0.43 0.00 0.00 52.55 55.30 1j0o s ASP 59 Cb 0.17 -2.58 0.25 0.00 -0.30 0.00 0.00 42.92 40.45 1j0o s ASP 59 CO 0.66 -0.47 1.14 0.29 -0.17 0.00 0.00 175.17 176.62 1j0o n LYS 60 N 3.74 1.86 -1.37 4.34 4.76 -1.26 -4.34 118.16 125.88 1j0o n LYS 60 Ca 0.09 -1.77 -0.30 0.00 -2.87 0.00 0.00 58.31 53.46 1j0o n LYS 60 Cb 0.46 -1.32 0.12 0.00 -1.84 0.00 0.00 35.03 32.46 1j0o n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1j0o s SER 61 N -1.13 3.75 0.55 4.39 1.04 -1.26 -4.92 113.70 116.11 1j0o s SER 61 Ca 0.23 1.31 0.22 0.00 0.48 0.00 0.00 55.95 58.20 1j0o s SER 61 Cb 0.14 -1.99 1.51 0.00 0.10 0.00 0.00 66.02 65.77 1j0o s SER 61 CO 0.20 -2.44 2.19 0.00 0.98 0.00 0.00 173.24 174.16 1j0o h ALA 62 N -1.42 1.75 0.00 5.32 0.00 -1.99 -1.15 119.26 121.78 1j0o h ALA 62 Ca -0.49 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1j0o h ALA 62 Cb 1.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 1j0o h ALA 62 CO 0.58 0.02 0.00 0.36 0.00 0.00 0.00 179.25 180.20 1j0o n LYS 63 N -4.20 0.12 -2.16 0.00 2.85 -1.26 -4.75 118.16 108.76 1j0o n LYS 63 Ca -0.03 0.04 -0.43 0.00 -1.05 0.00 0.00 58.31 56.85 1j0o n LYS 63 Cb 0.10 -1.50 -0.02 0.00 -0.65 0.00 0.00 35.03 32.95 1j0o n LYS 63 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1j0o s GLY 64 N -2.87 1.53 0.06 2.58 0.00 -0.44 -1.70 107.32 106.49 1j0o s GLY 64 Ca 0.17 0.72 -0.22 0.00 0.00 0.00 0.00 44.72 45.39 1j0o s GLY 64 CO 0.46 2.85 1.54 -1.82 0.00 0.00 0.00 173.10 176.12 1j0o h TYR 65 N 9.22 0.20 -0.40 1.90 5.03 -1.49 -1.16 116.97 130.27 1j0o h TYR 65 Ca -0.34 -0.03 0.05 0.00 2.58 0.00 0.00 58.73 60.99 1j0o h TYR 65 Cb 1.15 -0.06 -0.04 0.00 1.55 0.00 0.00 36.73 39.33 1j0o h TYR 65 CO 0.86 0.37 0.14 -0.92 -1.32 0.00 0.00 178.16 177.29 1j0o h TYR 66 N -0.03 0.26 -0.63 -3.82 5.03 -1.86 -2.37 116.97 113.55 1j0o h TYR 66 Ca 0.04 0.02 0.08 0.00 2.58 0.00 0.00 58.73 61.45 1j0o h TYR 66 Cb 0.27 -0.06 -0.07 0.00 1.55 0.00 0.00 36.73 38.43 1j0o h TYR 66 CO 0.01 0.10 0.29 1.25 -1.32 0.00 0.00 178.16 178.49 1j0o h HIS 67 N 0.31 0.51 0.00 -3.82 2.76 -1.71 -1.03 115.15 112.17 1j0o h HIS 67 Ca 0.18 0.03 -0.03 0.00 -2.20 0.00 0.00 60.37 58.35 1j0o h HIS 67 Cb 0.16 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 28.98 1j0o h HIS 67 CO -0.14 0.18 -0.16 0.00 -1.30 0.00 0.00 177.93 176.50 1j0o h ALA 68 N 1.40 1.28 0.00 5.26 0.00 -0.72 -1.89 119.26 124.59 1j0o h ALA 68 Ca 0.31 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1j0o h ALA 68 Cb 0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1j0o h ALA 68 CO -0.27 0.20 -1.58 -1.33 0.00 0.00 0.00 179.25 176.27 1j0o n MET 69 N -3.69 0.64 -0.00 0.00 2.81 -0.77 -4.30 117.12 111.81 1j0o n MET 69 Ca -0.02 0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.91 1j0o n MET 69 Cb 0.28 -1.69 -0.00 0.00 -0.71 0.00 0.00 33.22 31.10 1j0o n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1j0o n HIS 70 N -2.61 0.00 -3.45 2.03 -0.00 -0.46 -1.90 115.22 108.82 1j0o n HIS 70 Ca -0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.37 1j0o n HIS 70 Cb 0.70 -0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.66 1j0o n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1j0o s ASP 71 N -2.05 6.40 0.47 0.41 1.01 -0.73 -4.36 116.67 117.81 1j0o s ASP 71 Ca -0.00 0.56 -0.03 0.00 0.71 0.00 0.00 52.55 53.80 1j0o s ASP 71 Cb 0.00 -2.08 -0.02 0.00 1.01 0.00 0.00 42.92 41.83 1j0o s ASP 71 CO 0.01 -0.17 0.74 -0.54 0.21 0.00 0.00 175.17 175.42 1j0o s LYS 72 N -3.64 3.26 -0.26 8.23 1.02 -1.26 -4.31 119.74 122.79 1j0o s LYS 72 Ca 0.41 -0.13 0.00 0.00 0.02 0.00 0.00 55.97 56.28 1j0o s LYS 72 Cb -0.11 -2.45 0.00 0.00 -0.52 0.00 0.00 37.83 34.75 1j0o s LYS 72 CO 0.31 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.88 1j0o n GLY 73 N -2.20 0.55 3.85 -3.33 0.00 -1.26 -5.00 105.19 97.79 1j0o n GLY 73 Ca 0.01 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 1j0o n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1j0o s THR 74 N -1.90 4.62 0.27 2.61 -4.23 -1.26 -5.00 115.64 110.75 1j0o s THR 74 Ca 0.00 1.02 -0.02 0.00 -1.18 0.00 0.00 61.69 61.50 1j0o s THR 74 Cb 0.00 -3.75 0.15 0.00 1.34 0.00 0.00 72.50 70.24 1j0o s THR 74 CO 0.00 -0.73 1.81 0.50 -0.54 0.00 0.00 174.62 175.65 1j0o h LYS 75 N 0.77 0.89 -6.55 3.99 3.64 -1.98 -3.40 116.57 113.93 1j0o h LYS 75 Ca -0.46 -0.19 -0.66 0.00 -1.27 0.00 0.00 60.65 58.07 1j0o h LYS 75 Cb 1.19 -0.13 -0.16 0.00 -0.41 0.00 0.00 32.23 32.72 1j0o h LYS 75 CO 0.62 0.79 -0.74 -0.06 -2.27 0.00 0.00 179.45 177.79 1j0o s PHE 76 N -5.23 2.73 0.29 1.91 0.08 -1.26 -5.10 117.98 111.40 1j0o s PHE 76 Ca -0.10 -0.16 -0.29 0.00 0.12 0.00 0.00 56.93 56.50 1j0o s PHE 76 Cb 0.15 -1.43 -0.10 0.00 -0.57 0.00 0.00 43.02 41.08 1j0o s PHE 76 CO 0.81 0.43 1.35 0.15 -0.10 0.00 0.00 175.22 177.86 1j0o s LYS 77 N -2.24 4.33 0.67 0.44 -0.14 -1.26 -4.98 119.74 116.56 1j0o s LYS 77 Ca 0.22 2.22 -0.07 0.00 -1.36 0.00 0.00 55.97 56.97 1j0o s LYS 77 Cb -0.11 -3.10 0.04 0.00 -1.68 0.00 0.00 37.83 32.98 1j0o s LYS 77 CO 0.14 -0.27 0.99 -1.54 -0.76 0.00 0.00 175.35 173.91 1j0o s SER 78 N -0.10 5.16 0.13 2.83 1.04 -1.26 -4.87 113.70 116.63 1j0o s SER 78 Ca 0.53 0.63 -0.28 0.00 0.48 0.00 0.00 55.95 57.31 1j0o s SER 78 Cb -0.40 -1.42 -0.05 0.00 0.10 0.00 0.00 66.02 64.25 1j0o s SER 78 CO 0.48 -1.38 1.59 0.00 0.98 0.00 0.00 173.24 174.91 1j0o h VAL 80 N -0.49 1.27 -0.01 0.00 2.07 -1.63 -1.29 116.25 116.17 1j0o h VAL 80 Ca 0.07 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.17 1j0o h VAL 80 Cb 0.61 1.22 -0.02 0.00 -1.52 0.00 0.00 31.29 31.58 1j0o h VAL 80 CO -0.35 0.49 -0.08 1.23 0.02 0.00 0.00 177.57 178.88 1j0o h GLY 81 N 0.87 -0.08 1.04 2.17 0.00 -1.68 0.14 103.07 105.53 1j0o h GLY 81 Ca 0.09 0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.43 1j0o h GLY 81 CO 0.07 -0.09 -0.05 0.00 0.00 0.00 0.00 176.54 176.48 1j0o h HIS 83 N 0.79 0.72 -0.69 0.00 3.86 -0.81 -0.80 115.15 118.22 1j0o h HIS 83 Ca 0.14 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.31 1j0o h HIS 83 Cb 0.59 -0.23 -0.03 0.00 1.06 0.00 0.00 27.41 28.79 1j0o h HIS 83 CO 0.04 0.54 0.39 -0.07 0.86 0.00 0.00 177.93 179.70 1j0o h LEU 84 N 0.73 0.85 -0.88 2.43 3.38 -0.50 0.08 115.31 121.40 1j0o h LEU 84 Ca 0.18 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.03 1j0o h LEU 84 Cb 0.10 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1j0o h LEU 84 CO -0.02 0.68 0.31 -0.33 0.09 0.00 0.00 178.44 179.18 1j0o h GLU 85 N 0.94 1.13 -0.49 1.13 5.08 -1.11 -2.37 114.58 118.89 1j0o h GLU 85 Ca 0.24 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1j0o h GLU 85 Cb 0.01 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.05 1j0o h GLU 85 CO -0.04 0.91 0.10 1.15 -1.00 0.00 0.00 179.01 180.13 1j0o h THR 86 N 1.11 1.24 0.00 1.13 2.02 -0.68 -3.00 112.91 114.74 1j0o h THR 86 Ca 0.26 -0.88 -0.11 0.00 0.77 0.00 0.00 66.41 66.45 1j0o h THR 86 Cb 0.20 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1j0o h THR 86 CO -0.02 0.31 -0.51 0.00 0.37 0.00 0.00 175.52 175.67 1j0o h ALA 87 N 0.98 1.08 -0.70 6.16 0.00 -0.89 -3.48 119.26 122.41 1j0o h ALA 87 Ca 0.15 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1j0o h ALA 87 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1j0o h ALA 87 CO 0.01 0.64 0.00 0.41 0.00 0.00 0.00 179.25 180.31 1j0o n GLY 88 N 0.07 3.37 0.79 0.00 0.00 -0.90 -1.63 105.19 106.90 1j0o n GLY 88 Ca -0.01 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1j0o n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0o n ALA 89 N 10.77 2.48 -2.62 4.61 0.00 -1.26 -4.86 120.51 129.64 1j0o n ALA 89 Ca 0.00 -0.70 -0.42 0.00 0.00 0.00 0.00 53.44 52.32 1j0o n ALA 89 Cb 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.42 1j0o n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1j0o s ASP 90 N -1.59 6.37 0.38 0.00 3.68 -0.64 -4.91 116.67 119.96 1j0o s ASP 90 Ca 0.34 -0.18 0.06 0.00 2.13 0.00 0.00 52.55 54.90 1j0o s ASP 90 Cb 0.20 -2.50 0.76 0.00 -1.45 0.00 0.00 42.92 39.93 1j0o s ASP 90 CO 0.29 -1.40 2.01 0.00 0.13 0.00 0.00 175.17 176.20 1j0o h ALA 91 N 9.48 1.60 -0.42 3.66 0.00 -1.89 0.92 119.26 132.63 1j0o h ALA 91 Ca -0.26 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1j0o h ALA 91 Cb 1.06 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1j0o h ALA 91 CO 1.15 0.33 0.06 0.00 0.00 0.00 0.00 179.25 180.80 1j0o h ALA 92 N 1.66 0.55 -0.19 0.00 0.00 -1.96 -1.49 119.26 117.84 1j0o h ALA 92 Ca 0.15 -0.22 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1j0o h ALA 92 Cb 0.02 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1j0o h ALA 92 CO -0.03 0.27 -0.44 0.87 0.00 0.00 0.00 179.25 179.92 1j0o h LYS 93 N 0.54 0.46 -0.58 0.00 1.79 -1.81 -1.17 116.57 115.81 1j0o h LYS 93 Ca 0.13 -0.24 0.02 0.00 -2.18 0.00 0.00 60.65 58.37 1j0o h LYS 93 Cb 0.38 0.01 -0.03 0.00 -1.58 0.00 0.00 32.23 31.00 1j0o h LYS 93 CO 0.01 0.81 0.37 0.87 -1.08 0.00 0.00 179.45 180.43 1j0o h LYS 94 N 0.37 0.72 -0.25 3.15 1.57 -0.60 -0.46 116.57 121.07 1j0o h LYS 94 Ca 0.03 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1j0o h LYS 94 Cb 0.92 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1j0o h LYS 94 CO 0.08 0.48 0.05 -0.22 -0.57 0.00 0.00 179.45 179.26 1j0o h LYS 95 N 0.74 0.41 -0.73 3.15 1.63 -1.04 0.13 116.57 120.87 1j0o h LYS 95 Ca 0.22 -0.11 -0.05 0.00 -0.85 0.00 0.00 60.65 59.86 1j0o h LYS 95 Cb -0.04 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1j0o h LYS 95 CO -0.07 0.53 0.24 1.49 -3.45 0.00 0.00 179.45 178.19 1j0o h GLU 96 N 0.23 1.13 0.00 1.90 4.81 -1.01 -2.04 114.58 119.60 1j0o h GLU 96 Ca 0.08 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 1j0o h GLU 96 Cb 0.32 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1j0o h GLU 96 CO 0.00 0.95 -1.64 1.28 -0.73 0.00 0.00 179.01 178.87 1j0o n LEU 97 N -4.29 0.13 0.00 1.64 4.77 -0.20 -0.51 117.00 118.54 1j0o n LEU 97 Ca 0.06 -0.08 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1j0o n LEU 97 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1j0o n LEU 97 CO 0.41 0.03 0.05 0.35 -1.33 0.00 0.00 177.39 176.90 1j0o n THR 98 N -2.00 0.00 -1.96 -5.08 -2.24 0.41 -4.84 114.28 98.58 1j0o n THR 98 Ca -0.02 -0.26 -0.38 0.00 -2.27 0.00 0.00 64.05 61.12 1j0o n THR 98 Cb 0.43 1.19 0.02 0.00 -2.10 0.00 0.00 70.33 69.86 1j0o n THR 98 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1j0o s GLY 99 N -0.32 2.86 0.42 3.38 0.00 -0.77 -4.91 107.32 107.98 1j0o s GLY 99 Ca 0.00 1.21 0.22 0.00 0.00 0.00 0.00 44.72 46.16 1j0o s GLY 99 CO 0.00 1.73 1.60 0.00 0.00 0.00 0.00 173.10 176.43 1j0o s LYS 101 N -3.19 0.71 -1.49 0.00 -2.85 -1.26 -4.76 119.74 106.89 1j0o s LYS 101 Ca 0.06 -1.08 -0.02 0.00 -1.00 0.00 0.00 55.97 53.93 1j0o s LYS 101 Cb 0.06 0.27 0.01 0.00 -2.06 0.00 0.00 37.83 36.10 1j0o s LYS 101 CO 0.68 -0.18 0.19 0.41 0.10 0.00 0.00 175.35 176.55 1j0o n GLY 102 N 0.06 -0.50 3.93 0.59 0.00 -0.47 -4.95 105.19 103.85 1j0o n GLY 102 Ca -0.15 0.04 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1j0o n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0o s SER 103 N -2.27 4.68 0.22 1.61 1.04 -0.36 -4.74 113.70 113.87 1j0o s SER 103 Ca 0.11 -1.23 0.25 0.00 0.48 0.00 0.00 55.95 55.56 1j0o s SER 103 Cb -0.05 0.52 0.89 0.00 0.10 0.00 0.00 66.02 67.48 1j0o s SER 103 CO 0.14 -1.21 1.75 0.29 0.98 0.00 0.00 173.24 175.19 1j0o n LYS 104 N -1.89 0.22 -0.08 4.02 5.02 0.33 -3.61 118.16 122.17 1j0o n LYS 104 Ca 0.01 0.29 -0.13 0.00 -2.02 0.00 0.00 58.31 56.46 1j0o n LYS 104 Cb 0.64 -1.81 -0.08 0.00 -0.02 0.00 0.00 35.03 33.76 1j0o n LYS 104 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j0o s HIS 106 N -2.19 2.65 -2.00 0.00 3.76 -1.24 -4.64 115.29 111.62 1j0o s HIS 106 Ca -0.19 -1.35 0.11 0.00 -0.15 0.00 0.00 55.06 53.48 1j0o s HIS 106 Cb 0.02 -1.81 0.67 0.00 1.11 0.00 0.00 32.58 32.58 1j0o s HIS 106 CO 0.44 -0.62 1.11 -1.13 -0.85 0.00 0.00 174.74 173.68