#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agc s GLN 2 N 0.00 0.60 -0.06 6.28 -0.21 -1.26 -4.54 119.66 120.47 1agc s GLN 2 Ca 0.00 -0.16 0.03 0.00 0.02 0.00 0.00 55.36 55.25 1agc s GLN 2 Cb 0.00 -0.61 0.01 0.00 1.00 0.00 0.00 33.01 33.41 1agc s GLN 2 CO 0.00 0.04 -0.14 1.03 -2.12 0.00 0.00 175.29 174.11 1agc s ARG 3 N 0.30 1.72 0.19 2.91 0.52 0.31 -4.93 118.95 119.97 1agc s ARG 3 Ca -0.04 -0.47 -0.28 0.00 -0.52 0.00 0.00 55.73 54.42 1agc s ARG 3 Cb -0.08 -1.44 -0.08 0.00 0.52 0.00 0.00 34.95 33.88 1agc s ARG 3 CO -0.00 0.09 0.89 -0.08 0.02 0.00 0.00 175.30 176.21 1agc s THR 4 N 0.47 4.25 0.32 0.02 -1.32 -1.26 -1.39 115.64 116.73 1agc s THR 4 Ca -0.12 1.95 -0.29 0.00 -1.21 0.00 0.00 61.69 62.03 1agc s THR 4 Cb -0.14 -4.26 -0.11 0.00 -1.51 0.00 0.00 72.50 66.48 1agc s THR 4 CO 0.03 0.48 1.44 -2.16 -2.21 0.00 0.00 174.62 172.20 1agc s PRO 5 N -0.96 4.22 0.04 7.08 0.04 -1.26 -4.38 135.00 139.78 1agc s PRO 5 Ca 0.40 2.41 -0.16 0.00 0.04 0.00 0.00 61.00 63.69 1agc s PRO 5 Cb -0.25 -3.04 -0.06 0.00 0.04 0.00 0.00 34.50 31.20 1agc s PRO 5 CO 0.30 -0.43 0.47 0.15 0.04 0.00 0.00 177.00 177.53 1agc s LYS 6 N -1.36 4.01 -0.07 4.56 1.02 0.11 -4.90 119.74 123.11 1agc s LYS 6 Ca 0.55 0.52 0.02 0.00 0.02 0.00 0.00 55.97 57.08 1agc s LYS 6 Cb -0.44 -3.20 0.01 0.00 -0.52 0.00 0.00 37.83 33.69 1agc s LYS 6 CO 0.53 0.66 -0.13 0.42 -0.92 0.00 0.00 175.35 175.91 1agc s ILE 7 N -1.13 1.18 -0.09 2.17 1.01 -1.26 -1.39 121.20 121.69 1agc s ILE 7 Ca 0.27 -0.50 0.01 0.00 0.00 0.00 0.00 60.65 60.43 1agc s ILE 7 Cb -0.17 -1.08 0.02 0.00 0.01 0.00 0.00 42.46 41.24 1agc s ILE 7 CO 0.16 0.37 -0.12 -1.10 0.00 0.00 0.00 174.94 174.25 1agc s GLN 8 N 0.66 1.80 -0.20 2.79 -0.21 -0.15 -4.98 119.66 119.38 1agc s GLN 8 Ca -0.15 -0.41 -0.03 0.00 0.02 0.00 0.00 55.36 54.79 1agc s GLN 8 Cb -0.16 -1.60 -0.01 0.00 1.00 0.00 0.00 33.01 32.24 1agc s GLN 8 CO 0.04 -0.09 -0.06 0.08 -2.12 0.00 0.00 175.29 173.14 1agc s VAL 9 N 1.06 3.38 0.31 1.09 1.01 -1.26 -0.65 120.40 125.33 1agc s VAL 9 Ca -0.07 -0.51 -0.19 0.00 0.00 0.00 0.00 61.98 61.22 1agc s VAL 9 Cb -0.15 -2.51 0.05 0.00 0.00 0.00 0.00 36.38 33.77 1agc s VAL 9 CO -0.01 0.45 0.81 -0.72 0.00 0.00 0.00 175.10 175.62 1agc s TYR 10 N 1.12 -0.02 0.23 5.22 1.13 -0.64 -4.41 117.35 119.98 1agc s TYR 10 Ca 0.01 -0.52 0.08 0.00 -1.41 0.00 0.00 57.07 55.24 1agc s TYR 10 Cb -0.15 0.76 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 1agc s TYR 10 CO -0.01 -1.32 0.07 -1.54 -2.51 0.00 0.00 175.55 170.25 1agc s SER 11 N -3.04 5.01 0.17 -0.18 1.04 -1.26 0.13 113.70 115.58 1agc s SER 11 Ca 0.14 -0.41 -0.11 0.00 0.48 0.00 0.00 55.95 56.05 1agc s SER 11 Cb -0.05 -1.12 0.08 0.00 0.10 0.00 0.00 66.02 65.03 1agc s SER 11 CO 0.08 0.02 1.71 -0.09 0.98 0.00 0.00 173.24 175.94 1agc h ARG 12 N 2.00 0.93 -6.27 4.02 2.43 -1.49 -3.44 114.38 112.54 1agc h ARG 12 Ca -0.47 -0.19 -0.60 0.00 -0.81 0.00 0.00 59.98 57.92 1agc h ARG 12 Cb 1.23 -0.14 -0.17 0.00 -0.42 0.00 0.00 29.97 30.47 1agc h ARG 12 CO 0.60 0.81 -0.79 -1.01 -1.51 0.00 0.00 179.97 178.08 1agc s HIS 13 N -5.46 2.16 0.37 2.20 3.76 -1.26 -5.04 115.29 112.01 1agc s HIS 13 Ca -0.13 -0.39 -0.26 0.00 -0.15 0.00 0.00 55.06 54.13 1agc s HIS 13 Cb 0.13 -1.02 -0.12 0.00 1.11 0.00 0.00 32.58 32.68 1agc s HIS 13 CO 0.81 0.53 1.15 -2.30 -0.85 0.00 0.00 174.74 174.07 1agc n PRO 14 N -0.05 1.71 -2.34 8.40 -0.02 -1.26 -4.86 135.00 136.57 1agc n PRO 14 Ca -0.10 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.56 1agc n PRO 14 Cb 0.58 -2.16 -0.03 0.00 -0.02 0.00 0.00 33.50 31.87 1agc n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1agc s ALA 15 N -1.16 3.50 -0.16 3.55 0.00 -1.26 -5.01 121.76 121.21 1agc s ALA 15 Ca 0.59 0.84 -0.01 0.00 0.00 0.00 0.00 51.96 53.38 1agc s ALA 15 Cb -0.58 -3.52 0.05 0.00 0.00 0.00 0.00 23.12 19.07 1agc s ALA 15 CO 0.59 -0.68 -0.02 -2.00 0.00 0.00 0.00 175.76 173.65 1agc s GLU 16 N 1.75 1.10 -0.19 0.00 2.12 -1.26 -5.10 118.70 117.12 1agc s GLU 16 Ca 0.60 -0.43 -0.40 0.00 0.36 0.00 0.00 54.97 55.11 1agc s GLU 16 Cb -0.30 -1.92 -0.16 0.00 0.26 0.00 0.00 34.13 32.01 1agc s GLU 16 CO 0.27 -0.48 1.62 0.09 -0.54 0.00 0.00 175.26 176.22 1agc n ASN 17 N 4.95 2.10 0.00 -1.70 3.02 -1.26 -0.67 115.26 121.69 1agc n ASN 17 Ca -0.10 1.09 0.00 0.00 -0.03 0.00 0.00 54.58 55.54 1agc n ASN 17 Cb 0.48 -1.14 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1agc n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1agc n GLY 18 N 3.72 2.62 3.74 7.41 0.00 0.12 -4.95 105.19 117.85 1agc n GLY 18 Ca 0.25 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 1agc n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agc s LYS 19 N -0.67 4.22 0.44 1.61 -0.14 0.15 -4.93 119.74 120.42 1agc s LYS 19 Ca 0.00 0.21 -0.26 0.00 -1.36 0.00 0.00 55.97 54.56 1agc s LYS 19 Cb 0.00 -3.40 -0.09 0.00 -1.68 0.00 0.00 37.83 32.66 1agc s LYS 19 CO 0.00 0.28 1.45 0.45 -0.76 0.00 0.00 175.35 176.77 1agc s SER 20 N 0.31 5.93 0.00 2.83 0.15 -1.26 -4.06 113.70 117.60 1agc s SER 20 Ca 0.19 2.97 0.00 0.00 0.70 0.00 0.00 55.95 59.81 1agc s SER 20 Cb -0.14 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 1agc s SER 20 CO 0.06 -1.14 0.00 -3.20 1.20 0.00 0.00 173.24 170.16 1agc n ASN 21 N -0.09 0.00 -3.85 5.45 2.85 0.32 -4.99 115.26 114.95 1agc n ASN 21 Ca 0.04 -0.41 -0.21 0.00 -0.11 0.00 0.00 54.58 53.89 1agc n ASN 21 Cb 0.41 0.00 -0.17 0.00 1.24 0.00 0.00 39.78 41.26 1agc n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1agc s PHE 22 N -4.62 0.78 -0.16 1.20 0.08 -1.26 -1.98 117.98 112.01 1agc s PHE 22 Ca 0.00 -0.24 -0.20 0.00 0.12 0.00 0.00 56.93 56.62 1agc s PHE 22 Cb 0.00 -0.76 -0.03 0.00 -0.57 0.00 0.00 43.02 41.66 1agc s PHE 22 CO 0.00 -0.26 0.57 -1.17 -0.10 0.00 0.00 175.22 174.25 1agc s LEU 23 N 1.33 4.20 0.04 -0.37 2.96 0.17 -1.11 118.68 125.89 1agc s LEU 23 Ca -0.05 0.82 0.08 0.00 -0.22 0.00 0.00 54.13 54.77 1agc s LEU 23 Cb -0.13 -2.81 -0.03 0.00 0.50 0.00 0.00 46.19 43.72 1agc s LEU 23 CO -0.02 -0.16 -0.22 0.20 -1.32 0.00 0.00 176.35 174.83 1agc s ASN 24 N 1.00 3.52 -0.21 3.68 0.01 0.12 -1.41 114.94 121.65 1agc s ASN 24 Ca 0.28 -0.49 -0.02 0.00 -0.71 0.00 0.00 52.86 51.91 1agc s ASN 24 Cb -0.16 -0.47 0.06 0.00 0.41 0.00 0.00 41.25 41.09 1agc s ASN 24 CO 0.11 0.26 0.02 0.00 -1.51 0.00 0.00 177.10 175.98 1agc s TYR 26 N 1.76 3.14 -0.09 0.00 5.04 0.17 -0.15 117.35 127.22 1agc s TYR 26 Ca -0.01 -0.21 0.01 0.00 -2.44 0.00 0.00 57.07 54.42 1agc s TYR 26 Cb -0.17 -2.30 -0.02 0.00 0.35 0.00 0.00 41.96 39.81 1agc s TYR 26 CO -0.08 -0.28 -0.10 0.14 -1.34 0.00 0.00 175.55 173.89 1agc s VAL 27 N 1.67 3.40 0.27 3.14 -7.23 -0.21 -0.97 120.40 120.48 1agc s VAL 27 Ca 0.07 -0.57 -0.14 0.00 -1.81 0.00 0.00 61.98 59.53 1agc s VAL 27 Cb -0.15 -2.40 0.01 0.00 0.56 0.00 0.00 36.38 34.39 1agc s VAL 27 CO 0.07 0.56 0.56 -0.94 -0.31 0.00 0.00 175.10 175.04 1agc s SER 28 N -0.30 -0.04 -0.42 4.85 1.04 -0.48 -0.71 113.70 117.63 1agc s SER 28 Ca 0.03 -0.91 0.00 0.00 0.48 0.00 0.00 55.95 55.55 1agc s SER 28 Cb -0.13 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1agc s SER 28 CO 0.03 -1.25 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1agc n GLY 29 N -0.43 0.66 3.91 7.32 0.00 -0.75 0.07 105.19 115.98 1agc n GLY 29 Ca -0.02 -0.37 -0.21 0.00 0.00 0.00 0.00 46.02 45.42 1agc n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1agc s PHE 30 N -1.97 3.29 -0.28 1.61 -0.71 -1.20 -4.37 117.98 114.34 1agc s PHE 30 Ca 0.00 -0.08 -0.18 0.00 -1.04 0.00 0.00 56.93 55.64 1agc s PHE 30 Cb 0.00 -1.54 0.11 0.00 -1.21 0.00 0.00 43.02 40.38 1agc s PHE 30 CO 0.00 0.43 0.86 -1.58 -1.34 0.00 0.00 175.22 173.59 1agc s HIS 31 N -2.06 -0.76 0.57 3.49 2.46 -0.48 -1.07 115.29 117.44 1agc s HIS 31 Ca 0.35 1.57 -0.10 0.00 0.47 0.00 0.00 55.06 57.35 1agc s HIS 31 Cb -0.08 0.45 0.14 0.00 -0.13 0.00 0.00 32.58 32.96 1agc s HIS 31 CO 0.28 -0.38 0.55 -0.35 -2.47 0.00 0.00 174.74 172.37 1agc n PRO 32 N 3.69 -1.79 0.24 2.88 -0.04 -1.26 -0.53 135.00 138.19 1agc n PRO 32 Ca -0.18 -0.88 0.15 0.00 -0.04 0.00 0.00 63.50 62.55 1agc n PRO 32 Cb 0.58 -0.77 0.43 0.00 -0.04 0.00 0.00 33.50 33.70 1agc n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1agc h SER 33 N -1.66 0.00 -2.86 3.54 4.64 -1.99 -3.45 113.55 111.77 1agc h SER 33 Ca -0.20 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.59 1agc h SER 33 Cb 0.60 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 62.72 1agc h SER 33 CO 0.13 0.00 0.85 -1.81 -0.87 0.00 0.00 176.83 175.13 1agc s ASP 34 N -5.88 6.68 -0.04 4.97 1.01 -1.26 -4.97 116.67 117.18 1agc s ASP 34 Ca 0.04 2.47 -0.30 0.00 0.71 0.00 0.00 52.55 55.47 1agc s ASP 34 Cb 0.07 -2.58 0.07 0.00 1.01 0.00 0.00 42.92 41.49 1agc s ASP 34 CO 0.60 -0.77 0.68 -0.51 0.21 0.00 0.00 175.17 175.38 1agc s ILE 35 N 1.49 0.00 -0.11 0.77 2.07 -1.26 -4.53 121.20 119.63 1agc s ILE 35 Ca 0.69 0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.94 1agc s ILE 35 Cb -0.40 -1.00 0.02 0.00 0.13 0.00 0.00 42.46 41.21 1agc s ILE 35 CO 0.31 0.00 -0.13 -1.61 -1.91 0.00 0.00 174.94 171.59 1agc s GLU 36 N -1.41 2.01 -0.04 3.50 0.41 0.83 -4.98 118.70 119.01 1agc s GLU 36 Ca -0.10 -0.48 0.04 0.00 -0.41 0.00 0.00 54.97 54.02 1agc s GLU 36 Cb -0.00 -1.77 -0.00 0.00 -1.78 0.00 0.00 34.13 30.58 1agc s GLU 36 CO 0.08 -0.10 -0.15 0.08 -0.49 0.00 0.00 175.26 174.68 1agc s VAL 37 N 1.10 1.23 -0.04 2.63 1.01 -1.26 0.08 120.40 125.15 1agc s VAL 37 Ca -0.05 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.38 1agc s VAL 37 Cb -0.14 -1.06 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 1agc s VAL 37 CO -0.03 0.36 -0.19 -1.81 0.00 0.00 0.00 175.10 173.44 1agc s ASP 38 N 0.10 2.34 -0.17 3.32 1.01 0.56 -4.96 116.67 118.87 1agc s ASP 38 Ca -0.04 -0.38 -0.12 0.00 0.71 0.00 0.00 52.55 52.72 1agc s ASP 38 Cb -0.11 -0.61 -0.05 0.00 1.01 0.00 0.00 42.92 43.17 1agc s ASP 38 CO 0.02 0.18 0.24 -0.76 0.21 0.00 0.00 175.17 175.05 1agc s LEU 39 N -0.06 4.24 -0.00 1.23 1.43 -1.26 0.04 118.68 124.30 1agc s LEU 39 Ca -0.02 0.42 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 1agc s LEU 39 Cb -0.11 -2.27 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 1agc s LEU 39 CO 0.02 0.14 -0.16 -0.76 0.23 0.00 0.00 176.35 175.81 1agc s LEU 40 N 0.37 2.65 -0.32 1.79 1.43 0.20 -1.13 118.68 123.67 1agc s LEU 40 Ca 0.14 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.94 1agc s LEU 40 Cb -0.12 -1.54 0.09 0.00 0.03 0.00 0.00 46.19 44.65 1agc s LEU 40 CO 0.02 0.30 0.04 -0.75 0.23 0.00 0.00 176.35 176.19 1agc s LYS 41 N -1.11 1.38 -1.15 1.70 2.20 0.15 -1.32 119.74 121.60 1agc s LYS 41 Ca 0.13 -1.60 -0.06 0.00 -0.36 0.00 0.00 55.97 54.08 1agc s LYS 41 Cb -0.11 -2.88 0.01 0.00 -1.51 0.00 0.00 37.83 33.34 1agc s LYS 41 CO 0.03 -0.90 0.84 0.09 -0.36 0.00 0.00 175.35 175.06 1agc n ASN 42 N 4.42 -5.52 0.00 1.43 3.02 0.35 -2.44 115.26 116.52 1agc n ASN 42 Ca 0.00 -0.38 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 1agc n ASN 42 Cb 0.42 -4.19 0.00 0.00 -0.61 0.00 0.00 39.78 35.41 1agc n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1agc n GLY 43 N -1.64 2.33 3.88 7.41 0.00 -1.26 -5.03 105.19 110.88 1agc n GLY 43 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1agc n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1agc s GLU 44 N -0.29 3.51 0.25 1.61 2.56 -1.02 -5.02 118.70 120.29 1agc s GLU 44 Ca 0.00 -0.08 -0.30 0.00 0.00 0.00 0.00 54.97 54.59 1agc s GLU 44 Cb 0.00 -3.17 -0.10 0.00 2.00 0.00 0.00 34.13 32.86 1agc s GLU 44 CO 0.00 0.75 1.37 0.50 -0.56 0.00 0.00 175.26 177.32 1agc s ARG 45 N -1.19 4.33 0.01 4.30 3.52 -1.26 -0.68 118.95 127.97 1agc s ARG 45 Ca 0.18 2.20 -0.20 0.00 -0.13 0.00 0.00 55.73 57.79 1agc s ARG 45 Cb -0.13 -3.13 -0.06 0.00 -1.56 0.00 0.00 34.95 30.08 1agc s ARG 45 CO 0.08 -0.32 0.58 0.42 -0.81 0.00 0.00 175.30 175.24 1agc s ILE 46 N -0.18 4.88 -0.04 4.11 1.01 -0.28 -4.87 121.20 125.83 1agc s ILE 46 Ca 0.56 1.21 -0.02 0.00 0.00 0.00 0.00 60.65 62.40 1agc s ILE 46 Cb -0.40 -3.91 -0.27 0.00 0.01 0.00 0.00 42.46 37.89 1agc s ILE 46 CO 0.43 0.45 0.68 -0.33 0.00 0.00 0.00 174.94 176.18 1agc h GLU 47 N 5.37 0.23 -2.84 2.79 5.08 -1.94 -3.40 114.58 119.87 1agc h GLU 47 Ca -0.46 -0.39 -0.63 0.00 -1.00 0.00 0.00 59.36 56.88 1agc h GLU 47 Cb 1.20 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 30.60 1agc h GLU 47 CO 0.68 1.06 3.21 1.63 -1.00 0.00 0.00 179.01 184.60 1agc n LYS 48 N -3.41 3.63 -3.82 2.33 4.01 -1.26 -4.89 118.16 114.75 1agc n LYS 48 Ca -0.21 -2.24 -0.36 0.00 -0.51 0.00 0.00 58.31 54.99 1agc n LYS 48 Cb 1.05 -2.69 -0.13 0.00 -0.51 0.00 0.00 35.03 32.75 1agc n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1agc s VAL 49 N 1.58 3.63 0.52 -0.18 1.01 -1.26 -4.66 120.40 121.03 1agc s VAL 49 Ca 0.68 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.86 1agc s VAL 49 Cb 0.20 -2.88 0.03 0.00 0.00 0.00 0.00 36.38 33.73 1agc s VAL 49 CO -0.06 0.09 0.72 -1.61 0.00 0.00 0.00 175.10 174.24 1agc s GLU 50 N 1.44 2.58 0.10 2.72 2.02 -0.81 -4.91 118.70 121.84 1agc s GLU 50 Ca 0.01 -0.98 -0.19 0.00 0.02 0.00 0.00 54.97 53.84 1agc s GLU 50 Cb -0.17 -2.57 0.05 0.00 0.10 0.00 0.00 34.13 31.53 1agc s GLU 50 CO 0.00 -0.61 0.47 -3.38 0.02 0.00 0.00 175.26 171.76 1agc s HIS 51 N -2.65 -0.33 0.78 1.61 -3.43 -1.26 -1.32 115.29 108.69 1agc s HIS 51 Ca 0.57 0.16 -0.11 0.00 -0.80 0.00 0.00 55.06 54.88 1agc s HIS 51 Cb -0.10 0.34 0.06 0.00 -1.43 0.00 0.00 32.58 31.45 1agc s HIS 51 CO 0.37 -0.70 1.08 -1.54 -2.00 0.00 0.00 174.74 171.95 1agc s SER 52 N -2.50 4.54 0.17 7.38 1.04 -0.48 -4.99 113.70 118.86 1agc s SER 52 Ca -0.00 1.60 -0.30 0.00 0.48 0.00 0.00 55.95 57.73 1agc s SER 52 Cb 0.00 -2.35 -0.07 0.00 0.10 0.00 0.00 66.02 63.70 1agc s SER 52 CO -0.09 -1.98 1.06 -1.81 0.98 0.00 0.00 173.24 171.40 1agc s ASP 53 N -3.61 7.34 0.09 7.02 1.01 -1.26 -4.74 116.67 122.52 1agc s ASP 53 Ca 0.61 2.02 -0.35 0.00 0.71 0.00 0.00 52.55 55.54 1agc s ASP 53 Cb -0.16 -2.60 -0.14 0.00 1.01 0.00 0.00 42.92 41.03 1agc s ASP 53 CO 0.56 -0.16 1.60 -0.11 0.21 0.00 0.00 175.17 177.27 1agc n LEU 54 N 2.37 2.91 -4.12 1.23 7.94 -1.26 -4.96 117.00 121.11 1agc n LEU 54 Ca 0.02 1.07 -0.16 0.00 -1.11 0.00 0.00 56.01 55.83 1agc n LEU 54 Cb 0.47 -1.37 -0.04 0.00 0.53 0.00 0.00 43.42 43.00 1agc n LEU 54 CO 0.53 -0.37 0.12 -0.55 -1.11 0.00 0.00 177.39 176.01 1agc s SER 55 N 1.49 1.19 0.14 1.96 0.15 -1.24 -5.07 113.70 112.33 1agc s SER 55 Ca 0.83 -1.59 -0.09 0.00 0.70 0.00 0.00 55.95 55.80 1agc s SER 55 Cb -0.74 0.67 -0.01 0.00 -1.71 0.00 0.00 66.02 64.24 1agc s SER 55 CO 0.43 -1.30 0.26 0.72 1.20 0.00 0.00 173.24 174.54 1agc s PHE 56 N -2.95 0.33 0.79 3.44 -0.71 -1.26 -2.22 117.98 115.40 1agc s PHE 56 Ca 0.32 -0.71 -0.07 0.00 -1.04 0.00 0.00 56.93 55.43 1agc s PHE 56 Cb -0.00 -0.06 0.13 0.00 -1.21 0.00 0.00 43.02 41.88 1agc s PHE 56 CO 0.23 -0.67 1.10 -1.12 -1.34 0.00 0.00 175.22 173.42 1agc s SER 57 N -2.94 4.06 0.57 1.98 0.01 0.45 -4.91 113.70 112.92 1agc s SER 57 Ca 0.14 0.04 0.27 0.00 1.31 0.00 0.00 55.95 57.71 1agc s SER 57 Cb 0.04 -0.38 1.55 0.00 0.21 0.00 0.00 66.02 67.44 1agc s SER 57 CO -0.03 -2.08 2.05 0.50 0.41 0.00 0.00 173.24 174.10 1agc h LYS 58 N -0.90 0.00 -0.59 12.44 3.64 -2.03 0.23 116.57 129.36 1agc h LYS 58 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1agc h LYS 58 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1agc h LYS 58 CO 0.44 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.22 1agc n ASP 59 N -3.97 3.38 0.00 4.20 5.75 -1.26 -4.93 116.55 119.71 1agc n ASP 59 Ca 0.04 -2.23 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 1agc n ASP 59 Cb 0.41 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1agc n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1agc n TRP 60 N 0.86 0.00 -2.65 2.11 7.02 0.80 -5.01 117.44 120.57 1agc n TRP 60 Ca 0.19 0.00 -0.39 0.00 -1.02 0.00 0.00 57.50 56.27 1agc n TRP 60 Cb 0.61 -0.22 -0.05 0.00 -2.42 0.00 0.00 31.31 29.23 1agc n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1agc s SER 61 N -3.09 7.40 0.60 -0.99 1.04 -1.26 -4.69 113.70 112.72 1agc s SER 61 Ca 0.00 2.04 -0.10 0.00 0.48 0.00 0.00 55.95 58.37 1agc s SER 61 Cb 0.00 -2.61 -0.03 0.00 0.10 0.00 0.00 66.02 63.48 1agc s SER 61 CO 0.00 -0.03 0.99 -0.36 0.98 0.00 0.00 173.24 174.82 1agc s PHE 62 N -1.28 3.57 -0.04 5.02 0.08 -0.23 -0.41 117.98 124.68 1agc s PHE 62 Ca 0.45 1.16 -0.12 0.00 0.12 0.00 0.00 56.93 58.54 1agc s PHE 62 Cb -0.26 -2.69 0.02 0.00 -0.57 0.00 0.00 43.02 39.52 1agc s PHE 62 CO 0.33 -0.68 0.27 1.52 -0.10 0.00 0.00 175.22 176.56 1agc s TYR 63 N -3.12 -0.19 -0.06 0.36 -0.85 -0.94 -1.80 117.35 110.74 1agc s TYR 63 Ca 0.54 0.37 -0.10 0.00 -0.52 0.00 0.00 57.07 57.36 1agc s TYR 63 Cb -0.11 0.08 0.02 0.00 0.38 0.00 0.00 41.96 42.33 1agc s TYR 63 CO 0.52 -0.29 0.25 -0.51 -1.52 0.00 0.00 175.55 174.00 1agc s LEU 64 N -0.84 1.06 -0.21 -3.49 1.43 0.11 -3.71 118.68 113.03 1agc s LEU 64 Ca -0.09 0.32 -0.02 0.00 -1.03 0.00 0.00 54.13 53.30 1agc s LEU 64 Cb -0.05 0.94 0.00 0.00 0.03 0.00 0.00 46.19 47.11 1agc s LEU 64 CO 0.02 -0.21 -0.09 -0.22 0.23 0.00 0.00 176.35 176.08 1agc s LEU 65 N -0.41 2.66 -0.12 1.79 2.96 -1.26 -1.04 118.68 123.26 1agc s LEU 65 Ca -0.05 -0.48 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 1agc s LEU 65 Cb -0.03 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.96 1agc s LEU 65 CO 0.01 -0.02 0.04 -0.31 -1.32 0.00 0.00 176.35 174.76 1agc s TYR 66 N 1.42 3.26 0.06 5.38 1.51 0.78 -1.38 117.35 128.39 1agc s TYR 66 Ca 0.05 0.21 -0.13 0.00 -1.01 0.00 0.00 57.07 56.19 1agc s TYR 66 Cb -0.14 -1.89 0.02 0.00 -0.11 0.00 0.00 41.96 39.84 1agc s TYR 66 CO -0.06 0.43 0.29 1.52 -1.11 0.00 0.00 175.55 176.61 1agc s TYR 67 N -0.58 -0.06 -0.05 2.71 1.13 -0.44 -0.10 117.35 119.97 1agc s TYR 67 Ca 0.10 -0.15 -0.23 0.00 -1.41 0.00 0.00 57.07 55.38 1agc s TYR 67 Cb -0.12 0.08 0.05 0.00 -1.10 0.00 0.00 41.96 40.87 1agc s TYR 67 CO 0.02 -0.53 0.51 -0.08 -2.51 0.00 0.00 175.55 172.96 1agc s THR 68 N -2.93 0.02 0.43 -3.49 -1.32 -0.50 -1.93 115.64 105.93 1agc s THR 68 Ca -0.02 -0.21 -0.23 0.00 -1.21 0.00 0.00 61.69 60.02 1agc s THR 68 Cb 0.00 -0.81 -0.08 0.00 -1.51 0.00 0.00 72.50 70.10 1agc s THR 68 CO -0.06 -0.11 1.11 -0.70 -2.21 0.00 0.00 174.62 172.65 1agc s GLU 69 N -1.13 3.96 -0.05 7.08 2.12 -1.26 0.42 118.70 129.83 1agc s GLU 69 Ca -0.11 1.65 -0.29 0.00 0.36 0.00 0.00 54.97 56.58 1agc s GLU 69 Cb -0.03 -2.47 0.10 0.00 0.26 0.00 0.00 34.13 31.99 1agc s GLU 69 CO 0.07 -0.35 0.85 -0.59 -0.54 0.00 0.00 175.26 174.70 1agc s PHE 70 N -1.60 -0.44 -0.32 5.30 -0.71 -0.84 -4.78 117.98 114.59 1agc s PHE 70 Ca 0.61 0.56 0.03 0.00 -1.04 0.00 0.00 56.93 57.09 1agc s PHE 70 Cb -0.25 0.48 0.09 0.00 -1.21 0.00 0.00 43.02 42.13 1agc s PHE 70 CO 0.31 -0.52 0.03 0.99 -1.34 0.00 0.00 175.22 174.69 1agc s THR 71 N -2.08 2.07 0.73 -4.49 2.01 -1.26 -0.52 115.64 112.10 1agc s THR 71 Ca -0.01 -2.08 -0.16 0.00 0.31 0.00 0.00 61.69 59.75 1agc s THR 71 Cb -0.01 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 70.05 1agc s THR 71 CO -0.02 -0.50 1.06 -2.65 -0.69 0.00 0.00 174.62 171.82 1agc n PRO 72 N 4.37 0.53 -4.08 4.92 -0.02 -1.26 -4.71 135.00 134.75 1agc n PRO 72 Ca -0.00 0.24 -0.10 0.00 -2.02 0.00 0.00 63.50 61.62 1agc n PRO 72 Cb 0.42 -2.31 -0.07 0.00 -0.02 0.00 0.00 33.50 31.53 1agc n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1agc s THR 73 N -1.82 0.00 0.07 3.45 -4.23 -1.26 0.16 115.64 112.01 1agc s THR 73 Ca 0.75 -1.63 0.14 0.00 -1.18 0.00 0.00 61.69 59.76 1agc s THR 73 Cb -0.34 -2.32 0.02 0.00 1.34 0.00 0.00 72.50 71.19 1agc s THR 73 CO 0.49 0.00 1.53 -0.08 -0.54 0.00 0.00 174.62 176.02 1agc h GLU 74 N 2.39 0.00 0.06 3.99 4.81 -1.96 -3.31 114.58 120.55 1agc h GLU 74 Ca -0.30 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.69 1agc h GLU 74 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1agc h GLU 74 CO 0.42 0.58 -1.09 1.57 -0.73 0.00 0.00 179.01 179.76 1agc h LYS 75 N 0.00 0.18 -6.47 1.92 2.10 -2.01 -3.46 116.57 108.83 1agc h LYS 75 Ca -0.01 -0.28 -0.53 0.00 -2.00 0.00 0.00 60.65 57.83 1agc h LYS 75 Cb 1.27 0.10 -0.02 0.00 -0.90 0.00 0.00 32.23 32.68 1agc h LYS 75 CO 0.08 1.10 0.39 -0.51 -2.00 0.00 0.00 179.45 178.51 1agc s ASP 76 N -6.98 7.37 -0.19 7.07 1.01 -1.25 -5.04 116.67 118.66 1agc s ASP 76 Ca -0.02 1.76 -0.08 0.00 0.71 0.00 0.00 52.55 54.92 1agc s ASP 76 Cb 0.09 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 1agc s ASP 76 CO 0.85 -0.23 0.07 -1.61 0.21 0.00 0.00 175.17 174.46 1agc s GLU 77 N 0.69 3.95 0.08 8.23 0.41 -1.26 -4.72 118.70 126.08 1agc s GLU 77 Ca 0.51 -0.35 0.08 0.00 -0.41 0.00 0.00 54.97 54.80 1agc s GLU 77 Cb -0.23 -3.24 -0.04 0.00 -1.78 0.00 0.00 34.13 28.84 1agc s GLU 77 CO 0.29 0.21 -0.16 0.71 -0.49 0.00 0.00 175.26 175.82 1agc s TYR 78 N 0.54 2.59 0.18 1.61 2.02 -1.26 -0.50 117.35 122.52 1agc s TYR 78 Ca 0.03 -0.23 -0.15 0.00 -0.37 0.00 0.00 57.07 56.35 1agc s TYR 78 Cb -0.13 -1.41 0.02 0.00 -0.40 0.00 0.00 41.96 40.04 1agc s TYR 78 CO 0.01 0.34 0.45 0.00 -1.57 0.00 0.00 175.55 174.78 1agc s ALA 79 N -1.07 -0.71 -0.09 3.71 0.00 -0.43 0.08 121.76 123.25 1agc s ALA 79 Ca 0.17 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.81 1agc s ALA 79 Cb -0.11 0.83 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 1agc s ALA 79 CO 0.09 -0.74 -0.21 0.00 0.00 0.00 0.00 175.76 174.89 1agc s ARG 81 N 0.08 3.16 -0.07 0.00 3.52 0.11 -0.98 118.95 124.77 1agc s ARG 81 Ca -0.09 -0.74 0.05 0.00 -0.13 0.00 0.00 55.73 54.81 1agc s ARG 81 Cb -0.15 -2.78 -0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1agc s ARG 81 CO 0.06 -0.21 -0.23 0.08 -0.81 0.00 0.00 175.30 174.19 1agc s VAL 82 N 1.38 1.93 -0.06 7.11 1.01 0.13 -0.33 120.40 131.56 1agc s VAL 82 Ca 0.05 -0.97 0.04 0.00 0.00 0.00 0.00 61.98 61.09 1agc s VAL 82 Cb -0.14 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.60 1agc s VAL 82 CO -0.08 0.54 -0.17 0.21 0.00 0.00 0.00 175.10 175.59 1agc s ASN 83 N 0.08 2.23 0.05 3.32 3.04 0.11 -0.07 114.94 123.71 1agc s ASN 83 Ca -0.10 -0.38 -0.08 0.00 0.04 0.00 0.00 52.86 52.35 1agc s ASN 83 Cb -0.15 -0.84 -0.00 0.00 -1.54 0.00 0.00 41.25 38.72 1agc s ASN 83 CO 0.05 0.12 0.16 -2.28 -3.04 0.00 0.00 177.10 172.11 1agc s HIS 84 N 0.30 0.13 0.45 0.43 5.65 -1.26 -0.12 115.29 120.87 1agc s HIS 84 Ca -0.10 -0.43 0.24 0.00 0.25 0.00 0.00 55.06 55.02 1agc s HIS 84 Cb -0.14 -0.08 1.26 0.00 -1.18 0.00 0.00 32.58 32.44 1agc s HIS 84 CO 0.04 -0.44 1.80 -0.24 -0.65 0.00 0.00 174.74 175.25 1agc h VAL 85 N 3.32 0.52 0.00 0.89 3.04 -1.95 0.12 116.25 122.19 1agc h VAL 85 Ca -0.33 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 1agc h VAL 85 Cb 1.19 0.25 0.00 0.00 -2.01 0.00 0.00 31.29 30.72 1agc h VAL 85 CO 0.51 0.05 0.00 0.35 -1.01 0.00 0.00 177.57 177.47 1agc n THR 86 N -4.46 0.37 -4.67 3.17 -2.24 -1.26 -4.74 114.28 100.44 1agc n THR 86 Ca 0.24 0.09 -0.33 0.00 -2.27 0.00 0.00 64.05 61.78 1agc n THR 86 Cb 0.95 -0.78 -0.13 0.00 -2.10 0.00 0.00 70.33 68.27 1agc n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1agc s LEU 87 N -2.48 2.93 0.02 3.22 1.43 0.42 -4.98 118.68 119.24 1agc s LEU 87 Ca 0.20 -0.21 -0.25 0.00 -1.03 0.00 0.00 54.13 52.84 1agc s LEU 87 Cb 0.13 -1.66 -0.18 0.00 0.03 0.00 0.00 46.19 44.50 1agc s LEU 87 CO 0.28 0.22 1.44 0.28 0.23 0.00 0.00 176.35 178.80 1agc h SER 88 N 6.28 -0.01 -3.48 2.29 0.02 -1.85 -3.44 113.55 113.36 1agc h SER 88 Ca -0.34 -0.30 -0.43 0.00 -0.84 0.00 0.00 61.79 59.89 1agc h SER 88 Cb 1.19 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 63.59 1agc h SER 88 CO 0.56 0.29 -0.66 -1.10 -1.14 0.00 0.00 176.83 174.78 1agc s GLN 89 N -4.99 1.43 0.46 3.45 1.11 -1.26 -5.12 119.66 114.74 1agc s GLN 89 Ca -0.15 -1.73 -0.24 0.00 0.01 0.00 0.00 55.36 53.25 1agc s GLN 89 Cb 0.03 -0.83 -0.07 0.00 -1.01 0.00 0.00 33.01 31.12 1agc s GLN 89 CO 0.66 -0.05 1.32 -2.14 0.01 0.00 0.00 175.29 175.10 1agc s PRO 90 N -3.81 3.67 -0.16 2.91 0.02 -1.26 -4.92 135.00 131.45 1agc s PRO 90 Ca 0.29 2.18 -0.11 0.00 0.02 0.00 0.00 61.00 63.38 1agc s PRO 90 Cb 0.05 -2.56 -0.05 0.00 0.02 0.00 0.00 34.50 31.96 1agc s PRO 90 CO 0.10 -0.74 0.20 0.21 -0.33 0.00 0.00 177.00 176.44 1agc s LYS 91 N -2.51 4.05 -0.19 5.54 2.20 0.90 -4.87 119.74 124.86 1agc s LYS 91 Ca 0.62 -0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 56.13 1agc s LYS 91 Cb -0.38 -3.37 -0.01 0.00 -1.51 0.00 0.00 37.83 32.56 1agc s LYS 91 CO 0.48 0.39 -0.07 0.42 -0.36 0.00 0.00 175.35 176.21 1agc s ILE 92 N 0.05 3.28 -0.17 5.43 1.01 -1.26 0.18 121.20 129.72 1agc s ILE 92 Ca 0.13 -0.55 0.00 0.00 0.00 0.00 0.00 60.65 60.23 1agc s ILE 92 Cb -0.12 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.90 1agc s ILE 92 CO 0.02 0.46 -0.16 -0.69 0.00 0.00 0.00 174.94 174.57 1agc s VAL 93 N 1.03 2.54 0.17 2.92 1.01 -0.15 -4.97 120.40 122.95 1agc s VAL 93 Ca 0.00 -0.80 -0.23 0.00 0.00 0.00 0.00 61.98 60.95 1agc s VAL 93 Cb -0.15 -2.08 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 1agc s VAL 93 CO -0.01 0.51 0.73 -0.54 0.00 0.00 0.00 175.10 175.80 1agc s LYS 94 N 1.01 4.43 0.04 2.72 1.02 -1.26 -0.42 119.74 127.28 1agc s LYS 94 Ca -0.02 1.02 -0.30 0.00 0.02 0.00 0.00 55.97 56.69 1agc s LYS 94 Cb -0.15 -3.14 -0.07 0.00 -0.52 0.00 0.00 37.83 33.95 1agc s LYS 94 CO -0.04 0.53 1.45 -0.46 -0.92 0.00 0.00 175.35 175.91 1agc s TRP 95 N -1.25 2.85 -0.27 3.18 -0.00 0.11 -4.89 118.94 118.67 1agc s TRP 95 Ca 0.37 0.75 -0.02 0.00 -0.00 0.00 0.00 56.10 57.20 1agc s TRP 95 Cb -0.21 -3.73 0.04 0.00 -0.00 0.00 0.00 33.47 29.57 1agc s TRP 95 CO 0.24 -2.71 -0.04 0.34 -0.00 0.00 0.00 176.95 174.78 1agc s ASP 96 N 1.82 4.56 0.62 5.86 -1.08 -1.26 -4.78 116.67 122.42 1agc s ASP 96 Ca 0.66 -1.04 0.26 0.00 -0.52 0.00 0.00 52.55 51.91 1agc s ASP 96 Cb -0.34 -1.68 1.30 0.00 -1.46 0.00 0.00 42.92 40.74 1agc s ASP 96 CO 0.28 -0.18 1.73 -0.09 0.52 0.00 0.00 175.17 177.43 1agc h ARG 97 N 8.00 0.00 -0.49 4.34 2.43 -1.93 0.04 114.38 126.77 1agc h ARG 97 Ca -0.28 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.82 1agc h ARG 97 Cb 1.09 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 1agc h ARG 97 CO 0.55 0.00 0.07 -0.25 -1.51 0.00 0.00 179.97 178.83 1agc n ASP 98 N -3.26 4.58 0.00 -3.80 8.00 -1.26 -4.78 116.55 116.03 1agc n ASP 98 Ca 0.06 -3.11 0.00 0.00 0.71 0.00 0.00 54.79 52.45 1agc n ASP 98 Cb 0.73 -0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.18 1agc n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61