#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1agd s GLN 2 N 0.00 0.05 -0.06 6.28 -0.21 -1.26 -4.49 119.66 119.96 1agd s GLN 2 Ca 0.00 0.02 0.02 0.00 0.02 0.00 0.00 55.36 55.42 1agd s GLN 2 Cb 0.00 -0.11 0.02 0.00 1.00 0.00 0.00 33.01 33.92 1agd s GLN 2 CO 0.00 -0.03 -0.09 1.03 -2.12 0.00 0.00 175.29 174.09 1agd s ARG 3 N 0.24 1.32 0.28 2.91 0.52 -0.51 -4.93 118.95 118.78 1agd s ARG 3 Ca -0.02 -0.27 -0.28 0.00 -0.52 0.00 0.00 55.73 54.64 1agd s ARG 3 Cb -0.03 -1.18 -0.09 0.00 0.52 0.00 0.00 34.95 34.16 1agd s ARG 3 CO -0.01 -0.04 0.95 -0.08 0.02 0.00 0.00 175.30 176.14 1agd s THR 4 N 0.84 4.12 0.35 0.02 -1.32 -1.26 -1.69 115.64 116.70 1agd s THR 4 Ca -0.12 1.96 -0.28 0.00 -1.21 0.00 0.00 61.69 62.04 1agd s THR 4 Cb -0.15 -4.18 -0.10 0.00 -1.51 0.00 0.00 72.50 66.57 1agd s THR 4 CO 0.01 0.34 1.29 -2.16 -2.21 0.00 0.00 174.62 171.89 1agd s PRO 5 N -1.58 4.25 0.02 7.08 0.04 -1.26 -4.43 135.00 139.12 1agd s PRO 5 Ca 0.45 2.16 -0.15 0.00 0.04 0.00 0.00 61.00 63.51 1agd s PRO 5 Cb -0.23 -2.97 -0.06 0.00 0.04 0.00 0.00 34.50 31.29 1agd s PRO 5 CO 0.29 -0.26 0.43 0.15 0.04 0.00 0.00 177.00 177.64 1agd s LYS 6 N -1.93 3.93 -0.07 4.56 1.02 0.49 -4.90 119.74 122.83 1agd s LYS 6 Ca 0.51 0.42 0.02 0.00 0.02 0.00 0.00 55.97 56.94 1agd s LYS 6 Cb -0.38 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 33.76 1agd s LYS 6 CO 0.51 0.66 -0.13 0.42 -0.92 0.00 0.00 175.35 175.89 1agd s ILE 7 N -1.14 1.19 -0.08 2.17 1.01 -1.26 -1.64 121.20 121.46 1agd s ILE 7 Ca 0.26 -0.50 0.03 0.00 0.00 0.00 0.00 60.65 60.43 1agd s ILE 7 Cb -0.17 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.22 1agd s ILE 7 CO 0.15 0.37 -0.15 -1.10 0.00 0.00 0.00 174.94 174.20 1agd s GLN 8 N 0.72 2.06 -0.18 2.79 -0.21 -0.28 -4.98 119.66 119.58 1agd s GLN 8 Ca -0.13 -0.54 -0.00 0.00 0.02 0.00 0.00 55.36 54.71 1agd s GLN 8 Cb -0.16 -1.65 0.01 0.00 1.00 0.00 0.00 33.01 32.21 1agd s GLN 8 CO 0.03 0.06 -0.15 0.08 -2.12 0.00 0.00 175.29 173.19 1agd s VAL 9 N 0.60 2.55 0.29 1.09 1.01 -1.26 -0.67 120.40 124.01 1agd s VAL 9 Ca -0.15 -0.78 -0.19 0.00 0.00 0.00 0.00 61.98 60.85 1agd s VAL 9 Cb -0.16 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.17 1agd s VAL 9 CO 0.05 0.50 0.84 -0.72 0.00 0.00 0.00 175.10 175.77 1agd s TYR 10 N 1.18 0.00 0.15 5.22 1.13 -0.76 -4.44 117.35 119.82 1agd s TYR 10 Ca 0.02 -0.53 0.05 0.00 -1.41 0.00 0.00 57.07 55.20 1agd s TYR 10 Cb -0.14 0.76 -0.04 0.00 -1.10 0.00 0.00 41.96 41.44 1agd s TYR 10 CO -0.06 -1.28 0.07 -1.54 -2.51 0.00 0.00 175.55 170.23 1agd s SER 11 N -3.08 5.24 0.15 -0.18 1.04 -1.26 -0.12 113.70 115.49 1agd s SER 11 Ca 0.15 -0.19 -0.16 0.00 0.48 0.00 0.00 55.95 56.22 1agd s SER 11 Cb -0.04 -1.29 0.02 0.00 0.10 0.00 0.00 66.02 64.80 1agd s SER 11 CO 0.08 0.10 1.80 -0.09 0.98 0.00 0.00 173.24 176.11 1agd h ARG 12 N 2.75 0.45 -6.26 4.02 2.43 -1.62 -3.44 114.38 112.71 1agd h ARG 12 Ca -0.47 -0.03 -0.61 0.00 -0.81 0.00 0.00 59.98 58.06 1agd h ARG 12 Cb 1.19 -0.10 -0.14 0.00 -0.42 0.00 0.00 29.97 30.50 1agd h ARG 12 CO 0.62 0.30 -0.75 -1.01 -1.51 0.00 0.00 179.97 177.62 1agd s HIS 13 N -6.16 2.36 0.30 2.20 3.76 -1.26 -5.05 115.29 111.45 1agd s HIS 13 Ca -0.13 -0.31 -0.28 0.00 -0.15 0.00 0.00 55.06 54.19 1agd s HIS 13 Cb 0.11 -1.04 -0.14 0.00 1.11 0.00 0.00 32.58 32.62 1agd s HIS 13 CO 0.72 0.68 1.04 -2.30 -0.85 0.00 0.00 174.74 174.03 1agd n PRO 14 N -0.56 1.45 -2.44 8.40 -0.02 -1.26 -4.86 135.00 135.71 1agd n PRO 14 Ca -0.06 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.51 1agd n PRO 14 Cb 0.59 -1.91 -0.03 0.00 -0.02 0.00 0.00 33.50 32.13 1agd n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1agd s ALA 15 N -1.08 3.42 -0.16 3.55 0.00 -1.26 -5.02 121.76 121.20 1agd s ALA 15 Ca 0.58 0.77 -0.02 0.00 0.00 0.00 0.00 51.96 53.29 1agd s ALA 15 Cb -0.68 -3.47 0.05 0.00 0.00 0.00 0.00 23.12 19.03 1agd s ALA 15 CO 0.60 -0.54 0.02 -1.21 0.00 0.00 0.00 175.76 174.63 1agd s GLU 16 N 1.45 0.75 0.14 0.00 2.02 -1.26 -5.12 118.70 116.68 1agd s GLU 16 Ca 0.58 -0.31 -0.34 0.00 0.02 0.00 0.00 54.97 54.91 1agd s GLU 16 Cb -0.28 -1.83 -0.16 0.00 0.10 0.00 0.00 34.13 31.96 1agd s GLU 16 CO 0.27 -0.53 1.29 0.09 0.02 0.00 0.00 175.26 176.40 1agd n ASN 17 N 5.05 1.74 0.00 -0.19 3.02 -1.26 -1.02 115.26 122.59 1agd n ASN 17 Ca -0.09 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 1agd n ASN 17 Cb 0.48 -1.24 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 1agd n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1agd n GLY 18 N 2.36 2.80 3.74 7.41 0.00 -0.05 -4.97 105.19 116.47 1agd n GLY 18 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 1agd n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1agd s LYS 19 N -0.32 4.22 0.50 1.61 -0.14 -0.19 -4.96 119.74 120.46 1agd s LYS 19 Ca 0.00 0.11 -0.23 0.00 -1.36 0.00 0.00 55.97 54.49 1agd s LYS 19 Cb 0.00 -3.41 -0.06 0.00 -1.68 0.00 0.00 37.83 32.68 1agd s LYS 19 CO 0.00 0.27 1.36 0.45 -0.76 0.00 0.00 175.35 176.67 1agd s SER 20 N 0.36 5.59 0.00 2.83 0.15 -1.26 -4.11 113.70 117.25 1agd s SER 20 Ca 0.17 2.77 0.00 0.00 0.70 0.00 0.00 55.95 59.59 1agd s SER 20 Cb -0.13 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.54 1agd s SER 20 CO 0.04 -1.35 0.00 -3.20 1.20 0.00 0.00 173.24 169.93 1agd n ASN 21 N -0.66 0.00 -4.03 5.45 2.85 0.76 -4.98 115.26 114.65 1agd n ASN 21 Ca 0.08 -0.99 -0.24 0.00 -0.11 0.00 0.00 54.58 53.32 1agd n ASN 21 Cb 0.44 0.00 -0.16 0.00 1.24 0.00 0.00 39.78 41.30 1agd n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1agd s PHE 22 N -7.56 1.38 -0.14 1.20 0.40 -1.26 -1.43 117.98 110.58 1agd s PHE 22 Ca 0.00 -0.47 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 1agd s PHE 22 Cb 0.00 -1.01 -0.04 0.00 0.51 0.00 0.00 43.02 42.48 1agd s PHE 22 CO 0.00 -0.24 0.36 -1.17 0.70 0.00 0.00 175.22 174.88 1agd s LEU 23 N 0.54 4.26 -0.00 -0.37 2.96 0.64 -1.46 118.68 125.25 1agd s LEU 23 Ca -0.12 0.63 0.08 0.00 -0.22 0.00 0.00 54.13 54.50 1agd s LEU 23 Cb -0.14 -2.50 -0.02 0.00 0.50 0.00 0.00 46.19 44.03 1agd s LEU 23 CO 0.03 0.07 -0.23 0.20 -1.32 0.00 0.00 176.35 175.09 1agd s ASN 24 N 0.50 3.31 -0.19 3.68 0.01 0.82 -2.03 114.94 121.04 1agd s ASN 24 Ca 0.20 -0.45 -0.01 0.00 -0.71 0.00 0.00 52.86 51.88 1agd s ASN 24 Cb -0.14 -0.43 0.05 0.00 0.41 0.00 0.00 41.25 41.14 1agd s ASN 24 CO 0.06 0.30 -0.00 0.00 -1.51 0.00 0.00 177.10 175.95 1agd s TYR 26 N 1.72 3.10 -0.12 0.00 5.04 0.15 -0.47 117.35 126.77 1agd s TYR 26 Ca -0.01 -0.72 -0.03 0.00 -2.44 0.00 0.00 57.07 53.87 1agd s TYR 26 Cb -0.17 -2.23 -0.03 0.00 0.35 0.00 0.00 41.96 39.88 1agd s TYR 26 CO -0.07 -0.48 -0.01 0.14 -1.34 0.00 0.00 175.55 173.79 1agd s VAL 27 N 1.55 4.18 0.25 3.14 -7.23 -0.49 -1.13 120.40 120.67 1agd s VAL 27 Ca 0.05 -0.27 -0.13 0.00 -1.81 0.00 0.00 61.98 59.81 1agd s VAL 27 Cb -0.16 -2.80 -0.00 0.00 0.56 0.00 0.00 36.38 33.98 1agd s VAL 27 CO 0.02 0.54 0.49 -0.94 -0.31 0.00 0.00 175.10 174.91 1agd s SER 28 N -0.24 -0.10 -0.82 4.85 1.04 -0.65 -1.15 113.70 116.63 1agd s SER 28 Ca 0.05 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1agd s SER 28 Cb -0.12 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.59 1agd s SER 28 CO 0.02 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.70 1agd n GLY 29 N -0.39 0.96 3.83 7.32 0.00 -0.74 -0.38 105.19 115.80 1agd n GLY 29 Ca -0.02 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.24 1agd n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1agd s PHE 30 N -2.23 2.98 -0.29 1.61 -0.71 -1.22 -4.36 117.98 113.77 1agd s PHE 30 Ca 0.00 -0.22 -0.18 0.00 -1.04 0.00 0.00 56.93 55.49 1agd s PHE 30 Cb 0.00 -1.60 0.13 0.00 -1.21 0.00 0.00 43.02 40.33 1agd s PHE 30 CO 0.00 0.35 0.93 -1.58 -1.34 0.00 0.00 175.22 173.58 1agd s HIS 31 N -2.24 -0.65 0.97 3.49 2.46 -0.68 -1.29 115.29 117.36 1agd s HIS 31 Ca 0.37 1.35 -0.16 0.00 0.47 0.00 0.00 55.06 57.08 1agd s HIS 31 Cb -0.07 0.40 0.24 0.00 -0.13 0.00 0.00 32.58 33.02 1agd s HIS 31 CO 0.26 -0.32 0.85 -0.35 -2.47 0.00 0.00 174.74 172.71 1agd n PRO 32 N 3.46 -2.74 0.17 2.88 -0.04 -1.26 -1.42 135.00 136.04 1agd n PRO 32 Ca -0.17 -1.37 0.13 0.00 -0.04 0.00 0.00 63.50 62.05 1agd n PRO 32 Cb 0.57 -1.29 0.48 0.00 -0.04 0.00 0.00 33.50 33.22 1agd n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1agd h SER 33 N -2.39 0.00 -2.78 3.54 4.64 -1.99 -3.45 113.55 111.11 1agd h SER 33 Ca -0.32 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.46 1agd h SER 33 Cb 0.99 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.09 1agd h SER 33 CO 0.21 0.00 0.93 -1.81 -0.87 0.00 0.00 176.83 175.29 1agd s ASP 34 N -4.86 6.71 -0.10 4.97 1.01 -1.26 -4.97 116.67 118.18 1agd s ASP 34 Ca 0.05 2.32 -0.25 0.00 0.71 0.00 0.00 52.55 55.38 1agd s ASP 34 Cb 0.09 -2.56 0.06 0.00 1.01 0.00 0.00 42.92 41.52 1agd s ASP 34 CO 0.51 -0.81 0.60 -0.51 0.21 0.00 0.00 175.17 175.16 1agd s ILE 35 N 2.56 0.01 -0.10 0.77 2.07 -1.26 -4.54 121.20 120.71 1agd s ILE 35 Ca 0.69 -0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.89 1agd s ILE 35 Cb -0.36 -0.89 -0.00 0.00 0.13 0.00 0.00 42.46 41.34 1agd s ILE 35 CO 0.30 -0.05 -0.24 -1.61 -1.91 0.00 0.00 174.94 171.43 1agd s GLU 36 N -0.77 3.01 -0.03 3.50 0.41 -0.18 -5.00 118.70 119.64 1agd s GLU 36 Ca -0.08 -0.87 0.02 0.00 -0.41 0.00 0.00 54.97 53.63 1agd s GLU 36 Cb -0.02 -2.28 0.01 0.00 -1.78 0.00 0.00 34.13 30.06 1agd s GLU 36 CO 0.06 0.18 -0.08 0.08 -0.49 0.00 0.00 175.26 175.01 1agd s VAL 37 N 0.33 0.76 0.01 2.63 1.01 -1.26 -1.01 120.40 122.87 1agd s VAL 37 Ca -0.18 -0.33 0.06 0.00 0.00 0.00 0.00 61.98 61.53 1agd s VAL 37 Cb -0.18 -0.69 -0.02 0.00 0.00 0.00 0.00 36.38 35.49 1agd s VAL 37 CO 0.09 0.25 -0.17 -1.81 0.00 0.00 0.00 175.10 173.45 1agd s ASP 38 N 0.35 2.03 -0.20 3.32 1.01 -0.01 -4.97 116.67 118.20 1agd s ASP 38 Ca -0.06 -0.39 -0.09 0.00 0.71 0.00 0.00 52.55 52.72 1agd s ASP 38 Cb -0.10 -0.19 -0.04 0.00 1.01 0.00 0.00 42.92 43.60 1agd s ASP 38 CO 0.01 0.16 0.10 -0.76 0.21 0.00 0.00 175.17 174.88 1agd s LEU 39 N -0.76 3.94 -0.08 1.23 1.43 -1.26 0.05 118.68 123.22 1agd s LEU 39 Ca 0.06 0.10 0.00 0.00 -1.03 0.00 0.00 54.13 53.26 1agd s LEU 39 Cb -0.07 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.10 1agd s LEU 39 CO 0.00 0.14 -0.07 -0.76 0.23 0.00 0.00 176.35 175.89 1agd s LEU 40 N 0.61 3.15 -0.29 1.79 1.43 0.99 -1.23 118.68 125.13 1agd s LEU 40 Ca 0.05 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 53.13 1agd s LEU 40 Cb -0.13 -1.69 0.07 0.00 0.03 0.00 0.00 46.19 44.48 1agd s LEU 40 CO 0.01 0.33 -0.05 -0.75 0.23 0.00 0.00 176.35 176.12 1agd s LYS 41 N -0.61 1.96 -1.32 1.70 2.20 0.05 -1.23 119.74 122.48 1agd s LYS 41 Ca 0.09 -1.52 -0.04 0.00 -0.36 0.00 0.00 55.97 54.14 1agd s LYS 41 Cb -0.12 -2.99 0.02 0.00 -1.51 0.00 0.00 37.83 33.23 1agd s LYS 41 CO 0.02 -0.70 0.95 0.09 -0.36 0.00 0.00 175.35 175.35 1agd n ASN 42 N 4.37 -3.19 0.00 1.43 3.02 0.03 -2.10 115.26 118.82 1agd n ASN 42 Ca -0.08 -0.69 0.00 0.00 -0.03 0.00 0.00 54.58 53.79 1agd n ASN 42 Cb 0.42 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 34.99 1agd n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1agd n GLY 43 N -1.55 3.03 3.88 7.41 0.00 -1.26 -5.01 105.19 111.69 1agd n GLY 43 Ca -0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 1agd n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1agd s GLU 44 N -0.09 3.69 0.22 1.61 8.01 -0.89 -4.98 118.70 126.27 1agd s GLU 44 Ca 0.00 0.07 -0.30 0.00 0.01 0.00 0.00 54.97 54.75 1agd s GLU 44 Cb 0.00 -3.00 -0.09 0.00 -4.31 0.00 0.00 34.13 26.73 1agd s GLU 44 CO 0.00 0.57 1.30 0.50 0.01 0.00 0.00 175.26 177.64 1agd s ARG 45 N -1.98 4.40 0.02 1.61 3.52 -1.26 -0.77 118.95 124.48 1agd s ARG 45 Ca 0.33 2.07 -0.24 0.00 -0.13 0.00 0.00 55.73 57.76 1agd s ARG 45 Cb -0.13 -3.18 -0.05 0.00 -1.56 0.00 0.00 34.95 30.03 1agd s ARG 45 CO 0.19 -0.22 0.72 0.42 -0.81 0.00 0.00 175.30 175.60 1agd s ILE 46 N -0.14 4.82 -0.01 4.11 1.01 -0.37 -4.89 121.20 125.73 1agd s ILE 46 Ca 0.55 1.52 -0.03 0.00 0.00 0.00 0.00 60.65 62.69 1agd s ILE 46 Cb -0.37 -4.06 -0.28 0.00 0.01 0.00 0.00 42.46 37.76 1agd s ILE 46 CO 0.40 0.36 0.79 -0.33 0.00 0.00 0.00 174.94 176.16 1agd h GLU 47 N 5.85 0.25 -3.86 2.79 5.08 -1.95 -3.40 114.58 119.34 1agd h GLU 47 Ca -0.44 -0.42 -0.71 0.00 -1.00 0.00 0.00 59.36 56.79 1agd h GLU 47 Cb 1.20 0.16 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 1agd h GLU 47 CO 0.71 1.10 3.05 1.63 -1.00 0.00 0.00 179.01 184.50 1agd n LYS 48 N -3.44 3.02 -4.50 2.33 4.01 -1.26 -4.93 118.16 113.38 1agd n LYS 48 Ca -0.18 -2.69 -0.33 0.00 -0.51 0.00 0.00 58.31 54.60 1agd n LYS 48 Cb 1.05 -3.21 -0.16 0.00 -0.51 0.00 0.00 35.03 32.20 1agd n LYS 48 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 1agd s VAL 49 N 2.74 2.05 0.50 -0.18 1.01 -1.26 -4.59 120.40 120.66 1agd s VAL 49 Ca 0.48 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.56 1agd s VAL 49 Cb 0.14 -1.82 0.02 0.00 0.00 0.00 0.00 36.38 34.72 1agd s VAL 49 CO -0.08 0.54 0.41 -1.61 0.00 0.00 0.00 175.10 174.37 1agd s GLU 50 N 0.96 2.33 0.18 2.72 2.02 -0.71 -4.95 118.70 121.26 1agd s GLU 50 Ca -0.03 -1.84 -0.22 0.00 0.02 0.00 0.00 54.97 52.89 1agd s GLU 50 Cb -0.15 -2.21 0.06 0.00 0.10 0.00 0.00 34.13 31.94 1agd s GLU 50 CO -0.05 -0.48 0.61 -3.38 0.02 0.00 0.00 175.26 171.98 1agd s HIS 51 N -2.67 -0.47 0.77 1.61 -3.43 -1.26 -1.27 115.29 108.58 1agd s HIS 51 Ca 0.41 0.22 -0.11 0.00 -0.80 0.00 0.00 55.06 54.77 1agd s HIS 51 Cb -0.02 0.57 0.06 0.00 -1.43 0.00 0.00 32.58 31.75 1agd s HIS 51 CO 0.24 -0.90 1.09 -1.54 -2.00 0.00 0.00 174.74 171.63 1agd s SER 52 N -2.78 4.70 0.12 7.38 1.04 -0.61 -5.00 113.70 118.56 1agd s SER 52 Ca 0.03 1.34 -0.30 0.00 0.48 0.00 0.00 55.95 57.50 1agd s SER 52 Cb -0.02 -2.10 -0.06 0.00 0.10 0.00 0.00 66.02 63.94 1agd s SER 52 CO -0.10 -1.84 1.07 -1.81 0.98 0.00 0.00 173.24 171.55 1agd s ASP 53 N -3.92 7.30 0.01 7.02 1.01 -1.26 -4.78 116.67 122.04 1agd s ASP 53 Ca 0.60 1.97 -0.36 0.00 0.71 0.00 0.00 52.55 55.47 1agd s ASP 53 Cb -0.14 -2.59 -0.15 0.00 1.01 0.00 0.00 42.92 41.05 1agd s ASP 53 CO 0.54 -0.23 1.56 -0.11 0.21 0.00 0.00 175.17 177.14 1agd n LEU 54 N 2.89 2.42 0.00 1.23 7.94 -1.26 -4.96 117.00 125.25 1agd n LEU 54 Ca 0.04 1.08 -0.11 0.00 -1.11 0.00 0.00 56.01 55.91 1agd n LEU 54 Cb 0.47 -1.27 -0.03 0.00 0.53 0.00 0.00 43.42 43.13 1agd n LEU 54 CO 0.53 -0.59 0.09 -0.24 -1.11 0.00 0.00 177.39 176.07 1agd n SER 55 N 3.89 -0.90 -3.84 1.96 2.88 -1.25 -5.07 113.62 111.29 1agd n SER 55 Ca 0.20 -2.42 -0.09 0.00 -1.33 0.00 0.00 58.87 55.23 1agd n SER 55 Cb 0.22 1.73 -0.05 0.00 -0.75 0.00 0.00 64.21 65.36 1agd n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1agd s PHE 56 N -3.39 0.10 0.68 0.66 -0.12 -1.26 -2.11 117.98 112.55 1agd s PHE 56 Ca 0.23 -0.45 -0.05 0.00 -0.05 0.00 0.00 56.93 56.60 1agd s PHE 56 Cb -0.00 0.23 0.06 0.00 -0.63 0.00 0.00 43.02 42.67 1agd s PHE 56 CO 0.16 -0.86 0.98 -1.12 -0.05 0.00 0.00 175.22 174.33 1agd s SER 57 N -2.92 4.87 0.58 1.98 0.01 0.09 -4.93 113.70 113.38 1agd s SER 57 Ca 0.13 0.37 0.29 0.00 1.31 0.00 0.00 55.95 58.05 1agd s SER 57 Cb 0.00 -1.05 1.48 0.00 0.21 0.00 0.00 66.02 66.66 1agd s SER 57 CO -0.01 -1.54 1.92 0.50 0.41 0.00 0.00 173.24 174.53 1agd h LYS 58 N -0.50 0.00 -0.36 12.44 3.64 -2.03 0.26 116.57 130.03 1agd h LYS 58 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1agd h LYS 58 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1agd h LYS 58 CO 0.59 0.00 0.00 -0.40 -2.27 0.00 0.00 179.45 177.37 1agd n ASP 59 N -3.86 1.82 0.00 4.20 5.75 -1.26 -4.92 116.55 118.28 1agd n ASP 59 Ca 0.09 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 1agd n ASP 59 Cb 0.67 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1agd n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1agd n TRP 60 N 0.44 0.00 -2.73 2.11 7.02 0.91 -5.02 117.44 120.17 1agd n TRP 60 Ca 0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.21 1agd n TRP 60 Cb 0.30 -0.20 -0.06 0.00 -2.42 0.00 0.00 31.31 28.92 1agd n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1agd s SER 61 N -3.16 7.34 0.63 -0.99 1.04 -1.26 -4.72 113.70 112.58 1agd s SER 61 Ca 0.00 1.90 -0.11 0.00 0.48 0.00 0.00 55.95 58.22 1agd s SER 61 Cb 0.00 -2.59 -0.03 0.00 0.10 0.00 0.00 66.02 63.50 1agd s SER 61 CO 0.00 -0.07 1.04 -0.36 0.98 0.00 0.00 173.24 174.83 1agd s PHE 62 N -1.51 3.58 -0.07 5.02 0.08 -0.41 -0.73 117.98 123.94 1agd s PHE 62 Ca 0.49 1.24 -0.12 0.00 0.12 0.00 0.00 56.93 58.66 1agd s PHE 62 Cb -0.21 -2.77 0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1agd s PHE 62 CO 0.27 -0.77 0.31 1.52 -0.10 0.00 0.00 175.22 176.45 1agd s TYR 63 N -3.20 -0.26 -0.06 0.36 -0.85 -0.89 -1.79 117.35 110.65 1agd s TYR 63 Ca 0.55 0.56 -0.05 0.00 -0.52 0.00 0.00 57.07 57.61 1agd s TYR 63 Cb -0.11 0.10 0.02 0.00 0.38 0.00 0.00 41.96 42.35 1agd s TYR 63 CO 0.54 -0.27 0.16 -0.51 -1.52 0.00 0.00 175.55 173.95 1agd s LEU 64 N -0.53 1.34 -0.20 -3.49 1.43 -0.30 -3.74 118.68 113.19 1agd s LEU 64 Ca -0.06 0.32 -0.04 0.00 -1.03 0.00 0.00 54.13 53.32 1agd s LEU 64 Cb -0.04 0.53 -0.01 0.00 0.03 0.00 0.00 46.19 46.70 1agd s LEU 64 CO 0.02 -0.06 -0.04 -0.22 0.23 0.00 0.00 176.35 176.27 1agd s LEU 65 N 0.18 2.99 -0.11 1.79 2.96 -1.26 -1.39 118.68 123.83 1agd s LEU 65 Ca -0.01 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.57 1agd s LEU 65 Cb -0.02 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1agd s LEU 65 CO -0.00 0.04 -0.04 -0.31 -1.32 0.00 0.00 176.35 174.72 1agd s TYR 66 N 1.10 3.03 0.10 5.38 1.51 0.38 -1.57 117.35 127.27 1agd s TYR 66 Ca 0.01 -0.05 -0.08 0.00 -1.01 0.00 0.00 57.07 55.94 1agd s TYR 66 Cb -0.15 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.87 1agd s TYR 66 CO -0.00 0.23 0.18 1.52 -1.11 0.00 0.00 175.55 176.37 1agd s TYR 67 N -0.39 0.25 -0.14 2.71 1.13 -0.40 -0.46 117.35 120.06 1agd s TYR 67 Ca 0.06 -0.68 -0.29 0.00 -1.41 0.00 0.00 57.07 54.76 1agd s TYR 67 Cb -0.12 -0.10 0.07 0.00 -1.10 0.00 0.00 41.96 40.71 1agd s TYR 67 CO 0.02 -0.56 0.70 -0.08 -2.51 0.00 0.00 175.55 173.12 1agd s THR 68 N -3.89 0.00 0.54 -3.49 -1.32 -0.86 -1.73 115.64 104.88 1agd s THR 68 Ca 0.08 0.00 -0.20 0.00 -1.21 0.00 0.00 61.69 60.36 1agd s THR 68 Cb 0.05 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.98 1agd s THR 68 CO -0.08 0.00 1.16 -0.70 -2.21 0.00 0.00 174.62 172.79 1agd s GLU 69 N -0.59 3.35 -0.06 7.08 2.12 -1.26 -0.26 118.70 129.07 1agd s GLU 69 Ca -0.07 1.72 -0.29 0.00 0.36 0.00 0.00 54.97 56.68 1agd s GLU 69 Cb -0.02 -2.08 0.11 0.00 0.26 0.00 0.00 34.13 32.40 1agd s GLU 69 CO 0.06 -0.87 0.92 -0.59 -0.54 0.00 0.00 175.26 174.24 1agd s PHE 70 N -1.67 -0.37 -0.26 5.30 -0.71 -0.51 -4.79 117.98 114.97 1agd s PHE 70 Ca 0.72 0.41 0.02 0.00 -1.04 0.00 0.00 56.93 57.04 1agd s PHE 70 Cb -0.27 0.50 0.07 0.00 -1.21 0.00 0.00 43.02 42.11 1agd s PHE 70 CO 0.31 -0.47 -0.07 0.99 -1.34 0.00 0.00 175.22 174.64 1agd s THR 71 N -2.30 1.91 0.84 -4.49 2.01 -1.26 -0.17 115.64 112.17 1agd s THR 71 Ca 0.02 -1.55 -0.11 0.00 0.31 0.00 0.00 61.69 60.36 1agd s THR 71 Cb -0.01 -2.13 0.10 0.00 0.01 0.00 0.00 72.50 70.48 1agd s THR 71 CO -0.04 -0.13 1.14 -2.84 -0.69 0.00 0.00 174.62 172.06 1agd s PRO 72 N 1.20 1.60 0.24 4.92 0.02 -1.26 -4.77 135.00 136.95 1agd s PRO 72 Ca -0.05 1.48 -0.13 0.00 0.02 0.00 0.00 61.00 62.31 1agd s PRO 72 Cb -0.19 -1.80 -0.00 0.00 0.02 0.00 0.00 34.50 32.53 1agd s PRO 72 CO -0.06 -2.19 0.48 0.95 -0.33 0.00 0.00 177.00 175.85 1agd s THR 73 N -2.60 0.01 0.25 0.99 -4.23 -1.26 -0.87 115.64 107.92 1agd s THR 73 Ca 0.66 -1.32 0.10 0.00 -1.18 0.00 0.00 61.69 59.95 1agd s THR 73 Cb -0.22 -2.09 -0.06 0.00 1.34 0.00 0.00 72.50 71.47 1agd s THR 73 CO 0.55 -0.04 1.56 -0.08 -0.54 0.00 0.00 174.62 176.06 1agd h GLU 74 N 2.26 0.01 0.17 3.99 4.81 -1.98 -3.32 114.58 120.53 1agd h GLU 74 Ca -0.26 -0.01 -0.30 0.00 -0.13 0.00 0.00 59.36 58.66 1agd h GLU 74 Cb 1.25 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.65 1agd h GLU 74 CO 0.36 0.69 -1.42 1.57 -0.73 0.00 0.00 179.01 179.48 1agd h LYS 75 N 0.01 0.37 -6.60 1.92 2.10 -2.02 -3.46 116.57 108.88 1agd h LYS 75 Ca -0.01 -0.63 -0.52 0.00 -2.00 0.00 0.00 60.65 57.49 1agd h LYS 75 Cb 1.20 0.23 0.05 0.00 -0.90 0.00 0.00 32.23 32.81 1agd h LYS 75 CO 0.09 1.30 0.98 -0.51 -2.00 0.00 0.00 179.45 179.31 1agd s ASP 76 N -7.23 6.47 -0.15 7.07 1.01 -1.25 -5.00 116.67 117.59 1agd s ASP 76 Ca -0.15 2.74 -0.05 0.00 0.71 0.00 0.00 52.55 55.80 1agd s ASP 76 Cb 0.04 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1agd s ASP 76 CO 0.85 -0.92 0.01 -1.61 0.21 0.00 0.00 175.17 173.71 1agd s GLU 77 N 1.53 3.65 0.17 8.23 0.41 -1.26 -4.71 118.70 126.72 1agd s GLU 77 Ca 0.74 -0.42 0.10 0.00 -0.41 0.00 0.00 54.97 54.98 1agd s GLU 77 Cb -0.46 -3.01 -0.04 0.00 -1.78 0.00 0.00 34.13 28.83 1agd s GLU 77 CO 0.32 0.36 -0.18 0.71 -0.49 0.00 0.00 175.26 175.99 1agd s TYR 78 N 0.07 2.47 0.23 1.61 2.02 -1.26 -0.79 117.35 121.70 1agd s TYR 78 Ca 0.03 -0.29 -0.18 0.00 -0.37 0.00 0.00 57.07 56.26 1agd s TYR 78 Cb -0.13 -1.25 0.02 0.00 -0.40 0.00 0.00 41.96 40.21 1agd s TYR 78 CO 0.02 0.46 0.57 0.00 -1.57 0.00 0.00 175.55 175.03 1agd s ALA 79 N -1.51 -0.88 -0.06 3.71 0.00 -0.37 -0.98 121.76 121.67 1agd s ALA 79 Ca 0.21 -0.36 0.03 0.00 0.00 0.00 0.00 51.96 51.84 1agd s ALA 79 Cb -0.09 0.90 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1agd s ALA 79 CO 0.11 -0.87 -0.14 0.00 0.00 0.00 0.00 175.76 174.86 1agd s ARG 81 N 0.46 3.34 -0.08 0.00 3.52 0.11 -1.15 118.95 125.14 1agd s ARG 81 Ca -0.12 -0.65 0.04 0.00 -0.13 0.00 0.00 55.73 54.87 1agd s ARG 81 Cb -0.15 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 1agd s ARG 81 CO 0.04 -0.18 -0.22 0.08 -0.81 0.00 0.00 175.30 174.21 1agd s VAL 82 N 1.41 1.85 -0.04 7.11 1.01 0.40 -0.83 120.40 131.32 1agd s VAL 82 Ca 0.05 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.17 1agd s VAL 82 Cb -0.14 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 1agd s VAL 82 CO -0.04 0.51 -0.17 0.21 0.00 0.00 0.00 175.10 175.61 1agd s ASN 83 N 0.29 2.12 0.08 3.32 3.04 -0.18 -0.73 114.94 122.88 1agd s ASN 83 Ca -0.15 -0.34 -0.13 0.00 0.04 0.00 0.00 52.86 52.28 1agd s ASN 83 Cb -0.16 -0.52 0.02 0.00 -1.54 0.00 0.00 41.25 39.04 1agd s ASN 83 CO 0.07 0.16 0.30 -2.28 -3.04 0.00 0.00 177.10 172.31 1agd s HIS 84 N -0.05 -0.05 0.52 0.43 5.65 -1.26 -1.01 115.29 119.51 1agd s HIS 84 Ca -0.02 -0.22 0.26 0.00 0.25 0.00 0.00 55.06 55.33 1agd s HIS 84 Cb -0.10 0.09 1.38 0.00 -1.18 0.00 0.00 32.58 32.76 1agd s HIS 84 CO 0.02 -0.57 1.94 -0.24 -0.65 0.00 0.00 174.74 175.23 1agd h VAL 85 N 2.84 0.67 0.00 0.89 3.04 -1.95 0.91 116.25 122.64 1agd h VAL 85 Ca -0.33 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.34 1agd h VAL 85 Cb 1.21 0.59 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1agd h VAL 85 CO 0.49 0.01 0.00 0.35 -1.01 0.00 0.00 177.57 177.42 1agd n THR 86 N -4.36 0.40 -4.67 3.17 -2.24 -1.26 -4.77 114.28 100.56 1agd n THR 86 Ca 0.14 0.10 -0.33 0.00 -2.27 0.00 0.00 64.05 61.69 1agd n THR 86 Cb 0.74 -0.75 -0.13 0.00 -2.10 0.00 0.00 70.33 68.09 1agd n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1agd s LEU 87 N -2.66 2.92 0.20 3.22 1.43 0.31 -4.99 118.68 119.11 1agd s LEU 87 Ca 0.18 -0.23 -0.05 0.00 -1.03 0.00 0.00 54.13 53.01 1agd s LEU 87 Cb 0.14 -1.66 0.15 0.00 0.03 0.00 0.00 46.19 44.85 1agd s LEU 87 CO 0.33 0.20 1.58 0.77 0.23 0.00 0.00 176.35 179.47 1agd h SER 88 N 6.44 0.76 -5.09 2.29 4.64 -1.86 -3.44 113.55 117.28 1agd h SER 88 Ca -0.31 -0.31 -0.14 0.00 -0.47 0.00 0.00 61.79 60.55 1agd h SER 88 Cb 1.20 -0.21 -0.18 0.00 -0.31 0.00 0.00 62.40 62.89 1agd h SER 88 CO 0.57 1.02 -0.66 -1.10 -0.87 0.00 0.00 176.83 175.79 1agd s GLN 89 N -4.41 0.47 0.26 4.77 -0.21 -1.26 -5.13 119.66 114.15 1agd s GLN 89 Ca -0.09 -0.86 -0.31 0.00 0.02 0.00 0.00 55.36 54.13 1agd s GLN 89 Cb 0.12 0.17 -0.13 0.00 1.00 0.00 0.00 33.01 34.17 1agd s GLN 89 CO 0.84 -0.09 1.47 -2.30 -2.12 0.00 0.00 175.29 173.09 1agd n PRO 90 N 0.91 2.25 -3.47 2.91 -0.02 -1.26 -4.95 135.00 131.37 1agd n PRO 90 Ca -0.19 0.80 -0.38 0.00 -2.02 0.00 0.00 63.50 61.71 1agd n PRO 90 Cb 0.58 -2.50 -0.06 0.00 -0.02 0.00 0.00 33.50 31.50 1agd n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1agd s LYS 91 N -0.48 4.01 -0.17 -0.52 2.20 0.09 -4.87 119.74 120.01 1agd s LYS 91 Ca 0.66 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 1agd s LYS 91 Cb -0.60 -3.27 0.01 0.00 -1.51 0.00 0.00 37.83 32.46 1agd s LYS 91 CO 0.50 0.58 -0.16 0.42 -0.36 0.00 0.00 175.35 176.32 1agd s ILE 92 N -0.70 2.48 -0.16 5.43 1.01 -1.26 -0.45 121.20 127.54 1agd s ILE 92 Ca 0.24 -0.82 -0.02 0.00 0.00 0.00 0.00 60.65 60.05 1agd s ILE 92 Cb -0.16 -2.05 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 1agd s ILE 92 CO 0.12 0.52 -0.10 -0.69 0.00 0.00 0.00 174.94 174.79 1agd s VAL 93 N 1.02 3.21 0.05 2.92 1.01 -0.30 -4.96 120.40 123.34 1agd s VAL 93 Ca -0.01 -0.59 -0.21 0.00 0.00 0.00 0.00 61.98 61.16 1agd s VAL 93 Cb -0.15 -2.39 -0.06 0.00 0.00 0.00 0.00 36.38 33.78 1agd s VAL 93 CO -0.04 0.49 0.64 -0.54 0.00 0.00 0.00 175.10 175.65 1agd s LYS 94 N 0.72 4.34 -0.27 2.72 1.02 -1.26 -1.09 119.74 125.92 1agd s LYS 94 Ca -0.05 0.84 -0.28 0.00 0.02 0.00 0.00 55.97 56.50 1agd s LYS 94 Cb -0.15 -3.31 -0.03 0.00 -0.52 0.00 0.00 37.83 33.82 1agd s LYS 94 CO 0.02 0.46 1.94 -0.46 -0.92 0.00 0.00 175.35 176.39 1agd s TRP 95 N -0.55 1.58 -0.30 3.18 -0.00 -0.16 -4.91 118.94 117.78 1agd s TRP 95 Ca 0.32 0.55 -0.14 0.00 -0.00 0.00 0.00 56.10 56.83 1agd s TRP 95 Cb -0.20 -4.05 -0.03 0.00 -0.00 0.00 0.00 33.47 29.19 1agd s TRP 95 CO 0.20 -3.45 0.34 0.34 -0.00 0.00 0.00 176.95 174.37 1agd s ASP 96 N 6.70 6.18 0.62 5.86 -1.08 -1.26 -4.78 116.67 128.91 1agd s ASP 96 Ca 0.87 0.06 0.30 0.00 -0.52 0.00 0.00 52.55 53.26 1agd s ASP 96 Cb -0.27 -2.19 1.65 0.00 -1.46 0.00 0.00 42.92 40.65 1agd s ASP 96 CO 0.34 -0.21 2.00 -0.09 0.52 0.00 0.00 175.17 177.73 1agd h ARG 97 N 8.31 0.00 -0.78 4.34 2.43 -1.93 -2.36 114.38 124.39 1agd h ARG 97 Ca -0.32 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.32 1agd h ARG 97 Cb 1.16 0.00 -0.32 0.00 -0.42 0.00 0.00 29.97 30.39 1agd h ARG 97 CO 0.64 0.00 -0.03 -0.25 -1.51 0.00 0.00 179.97 178.82 1agd n ASP 98 N -3.44 5.46 0.00 -3.80 8.00 -1.26 -4.84 116.55 116.66 1agd n ASP 98 Ca 0.02 -3.77 0.00 0.00 0.71 0.00 0.00 54.79 51.75 1agd n ASP 98 Cb 0.43 -0.64 0.00 0.00 -0.02 0.00 0.00 41.12 40.89 1agd n ASP 98 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61