#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1duy n ILE 1 N 0.00 0.70 -3.57 2.02 5.41 -1.26 -5.00 119.36 117.66 1duy n ILE 1 Ca 0.00 -0.18 -0.16 0.00 1.00 0.00 0.00 62.75 63.42 1duy n ILE 1 Cb 0.00 -1.01 -0.13 0.00 -0.71 0.00 0.00 39.64 37.79 1duy n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 1duy s GLN 2 N -0.16 0.16 -0.07 0.38 -0.21 -1.26 -4.42 119.66 114.08 1duy s GLN 2 Ca 0.74 0.49 0.05 0.00 0.02 0.00 0.00 55.36 56.66 1duy s GLN 2 Cb -0.82 -0.58 -0.01 0.00 1.00 0.00 0.00 33.01 32.60 1duy s GLN 2 CO 0.50 -0.46 -0.23 1.03 -2.12 0.00 0.00 175.29 174.00 1duy s ARG 3 N 2.37 2.70 0.33 2.91 0.52 -0.10 -4.94 118.95 122.74 1duy s ARG 3 Ca 0.05 -0.87 -0.28 0.00 -0.52 0.00 0.00 55.73 54.10 1duy s ARG 3 Cb -0.14 -2.23 -0.10 0.00 0.52 0.00 0.00 34.95 33.00 1duy s ARG 3 CO -0.10 0.35 1.23 0.99 0.02 0.00 0.00 175.30 177.78 1duy s THR 4 N -0.07 2.99 0.23 0.02 2.01 -1.26 -1.57 115.64 118.00 1duy s THR 4 Ca -0.06 0.97 -0.29 0.00 0.31 0.00 0.00 61.69 62.62 1duy s THR 4 Cb -0.14 -3.60 -0.09 0.00 0.01 0.00 0.00 72.50 68.67 1duy s THR 4 CO 0.05 0.21 0.91 -2.16 -0.69 0.00 0.00 174.62 172.94 1duy s PRO 5 N -1.80 4.79 0.15 4.92 0.04 -1.26 -4.12 135.00 137.72 1duy s PRO 5 Ca 0.49 1.42 -0.19 0.00 0.04 0.00 0.00 61.00 62.77 1duy s PRO 5 Cb -0.36 -3.24 -0.07 0.00 0.04 0.00 0.00 34.50 30.87 1duy s PRO 5 CO 0.47 0.51 0.64 0.15 0.04 0.00 0.00 177.00 178.81 1duy s LYS 6 N -1.25 4.20 -0.03 4.56 1.02 0.16 -4.88 119.74 123.54 1duy s LYS 6 Ca 0.41 0.77 0.04 0.00 0.02 0.00 0.00 55.97 57.21 1duy s LYS 6 Cb -0.25 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.00 1duy s LYS 6 CO 0.30 0.51 -0.15 0.42 -0.92 0.00 0.00 175.35 175.52 1duy s ILE 7 N -1.33 1.22 -0.03 2.17 1.01 -1.26 -1.98 121.20 121.00 1duy s ILE 7 Ca 0.36 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.39 1duy s ILE 7 Cb -0.18 -1.05 0.02 0.00 0.01 0.00 0.00 42.46 41.27 1duy s ILE 7 CO 0.20 0.35 0.00 -1.10 0.00 0.00 0.00 174.94 174.40 1duy s GLN 8 N -0.08 0.26 -0.16 2.79 -0.21 -0.71 -4.99 119.66 116.56 1duy s GLN 8 Ca -0.00 0.07 0.01 0.00 0.02 0.00 0.00 55.36 55.46 1duy s GLN 8 Cb -0.09 -0.43 0.02 0.00 1.00 0.00 0.00 33.01 33.51 1duy s GLN 8 CO 0.01 -0.12 -0.19 0.54 -2.12 0.00 0.00 175.29 173.41 1duy s VAL 9 N 0.92 1.93 0.33 1.09 0.11 -1.26 -0.77 120.40 122.76 1duy s VAL 9 Ca -0.09 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 57.95 1duy s VAL 9 Cb -0.13 -1.75 0.03 0.00 -1.53 0.00 0.00 36.38 33.00 1duy s VAL 9 CO -0.02 0.52 0.67 -0.72 -3.33 0.00 0.00 175.10 172.23 1duy s TYR 10 N 1.25 0.24 0.06 1.54 1.13 -0.58 -4.46 117.35 116.53 1duy s TYR 10 Ca 0.03 -0.74 0.02 0.00 -1.41 0.00 0.00 57.07 54.97 1duy s TYR 10 Cb -0.13 0.56 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 1duy s TYR 10 CO -0.10 -1.33 0.09 -1.54 -2.51 0.00 0.00 175.55 170.15 1duy s SER 11 N -3.05 5.62 0.28 -0.18 1.04 -1.26 0.12 113.70 116.26 1duy s SER 11 Ca 0.18 0.04 -0.02 0.00 0.48 0.00 0.00 55.95 56.63 1duy s SER 11 Cb -0.04 -1.55 0.40 0.00 0.10 0.00 0.00 66.02 64.93 1duy s SER 11 CO 0.11 0.19 1.85 -0.09 0.98 0.00 0.00 173.24 176.29 1duy h ARG 12 N 3.45 0.91 -6.83 4.02 2.43 -1.62 -3.44 114.38 113.30 1duy h ARG 12 Ca -0.47 -0.15 -0.68 0.00 -0.81 0.00 0.00 59.98 57.87 1duy h ARG 12 Cb 1.17 -0.15 -0.21 0.00 -0.42 0.00 0.00 29.97 30.35 1duy h ARG 12 CO 0.66 0.75 -0.85 -1.01 -1.51 0.00 0.00 179.97 178.01 1duy s HIS 13 N -5.39 2.35 0.21 2.20 3.76 -1.26 -5.04 115.29 112.12 1duy s HIS 13 Ca -0.10 -0.36 -0.32 0.00 -0.15 0.00 0.00 55.06 54.13 1duy s HIS 13 Cb 0.16 -1.25 -0.13 0.00 1.11 0.00 0.00 32.58 32.46 1duy s HIS 13 CO 0.80 0.37 1.52 -2.30 -0.85 0.00 0.00 174.74 174.28 1duy n PRO 14 N 0.79 2.19 -1.81 8.40 -0.02 -1.26 -4.83 135.00 138.45 1duy n PRO 14 Ca -0.17 0.78 -0.42 0.00 -2.02 0.00 0.00 63.50 61.68 1duy n PRO 14 Cb 0.53 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.48 1duy n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1duy s ALA 15 N 0.47 3.76 -0.17 3.55 0.00 -1.26 -4.99 121.76 123.11 1duy s ALA 15 Ca 0.73 1.53 -0.04 0.00 0.00 0.00 0.00 51.96 54.18 1duy s ALA 15 Cb -0.64 -3.64 0.07 0.00 0.00 0.00 0.00 23.12 18.91 1duy s ALA 15 CO 0.43 -0.93 0.15 -1.21 0.00 0.00 0.00 175.76 174.20 1duy s GLU 16 N -0.19 0.11 0.16 0.00 2.02 -1.26 -5.11 118.70 114.42 1duy s GLU 16 Ca 0.64 0.14 -0.32 0.00 0.02 0.00 0.00 54.97 55.45 1duy s GLU 16 Cb -0.47 -1.33 -0.17 0.00 0.10 0.00 0.00 34.13 32.26 1duy s GLU 16 CO 0.44 -0.61 0.98 0.09 0.02 0.00 0.00 175.26 176.18 1duy n ASN 17 N 5.30 0.47 0.00 -0.19 3.02 -1.26 -1.12 115.26 121.49 1duy n ASN 17 Ca -0.06 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 1duy n ASN 17 Cb 0.49 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 1duy n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duy n GLY 18 N 1.84 1.82 3.53 7.41 0.00 -0.46 -5.01 105.19 114.31 1duy n GLY 18 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 1duy n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1duy s LYS 19 N -0.07 3.29 0.38 1.61 1.02 -0.27 -5.01 119.74 120.68 1duy s LYS 19 Ca 0.00 -0.54 -0.26 0.00 0.02 0.00 0.00 55.97 55.19 1duy s LYS 19 Cb 0.00 -2.77 -0.12 0.00 -0.52 0.00 0.00 37.83 34.43 1duy s LYS 19 CO 0.00 0.41 1.09 -1.13 -0.92 0.00 0.00 175.35 174.81 1duy n SER 20 N 2.99 1.71 -1.09 2.83 3.41 -1.26 -4.22 113.62 117.99 1duy n SER 20 Ca -0.18 1.11 -0.00 0.00 -0.26 0.00 0.00 58.87 59.54 1duy n SER 20 Cb 0.53 -1.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1duy n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1duy n ASN 21 N 0.68 -0.11 -3.90 4.04 2.85 0.86 -4.98 115.26 114.69 1duy n ASN 21 Ca 0.08 -1.08 -0.19 0.00 -0.11 0.00 0.00 54.58 53.28 1duy n ASN 21 Cb 0.37 0.19 -0.16 0.00 1.24 0.00 0.00 39.78 41.42 1duy n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1duy s PHE 22 N -8.43 0.68 -0.24 1.20 0.40 -1.26 -1.47 117.98 108.86 1duy s PHE 22 Ca 0.01 -0.17 -0.15 0.00 -0.60 0.00 0.00 56.93 56.02 1duy s PHE 22 Cb -0.00 -0.59 -0.04 0.00 0.51 0.00 0.00 43.02 42.90 1duy s PHE 22 CO 0.01 -0.15 0.39 -1.17 0.70 0.00 0.00 175.22 174.99 1duy s LEU 23 N 0.74 4.09 0.18 -0.37 2.96 -0.20 -1.41 118.68 124.67 1duy s LEU 23 Ca -0.10 0.41 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 1duy s LEU 23 Cb -0.13 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.04 1duy s LEU 23 CO 0.00 -0.14 -0.03 0.20 -1.32 0.00 0.00 176.35 175.06 1duy s ASN 24 N 1.34 4.60 -0.20 3.68 0.01 0.32 -2.33 114.94 122.36 1duy s ASN 24 Ca 0.17 -0.46 -0.04 0.00 -0.71 0.00 0.00 52.86 51.82 1duy s ASN 24 Cb -0.15 -0.92 0.08 0.00 0.41 0.00 0.00 41.25 40.67 1duy s ASN 24 CO 0.09 0.09 0.14 0.00 -1.51 0.00 0.00 177.10 175.91 1duy s TYR 26 N 2.19 3.26 -0.09 0.00 5.04 0.05 -0.97 117.35 126.83 1duy s TYR 26 Ca 0.05 0.09 0.03 0.00 -2.44 0.00 0.00 57.07 54.80 1duy s TYR 26 Cb -0.16 -2.24 -0.01 0.00 0.35 0.00 0.00 41.96 39.91 1duy s TYR 26 CO -0.15 -0.00 -0.20 0.14 -1.34 0.00 0.00 175.55 174.00 1duy s VAL 27 N 1.06 2.46 0.20 3.14 -7.23 -0.55 -1.74 120.40 117.75 1duy s VAL 27 Ca 0.06 -0.90 -0.17 0.00 -1.81 0.00 0.00 61.98 59.17 1duy s VAL 27 Cb -0.14 -1.96 0.02 0.00 0.56 0.00 0.00 36.38 34.87 1duy s VAL 27 CO 0.04 0.56 0.52 -0.94 -0.31 0.00 0.00 175.10 174.97 1duy s SER 28 N 0.06 -0.23 -0.56 4.85 1.04 -0.84 -0.70 113.70 117.33 1duy s SER 28 Ca -0.08 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.79 1duy s SER 28 Cb -0.15 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.55 1duy s SER 28 CO 0.05 -1.07 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1duy n GLY 29 N -0.35 0.73 3.98 7.32 0.00 0.43 -0.66 105.19 116.64 1duy n GLY 29 Ca -0.09 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.44 1duy n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1duy s PHE 30 N -1.96 3.11 -0.29 1.61 -0.71 -1.20 -4.34 117.98 114.19 1duy s PHE 30 Ca 0.00 -0.09 -0.21 0.00 -1.04 0.00 0.00 56.93 55.59 1duy s PHE 30 Cb 0.00 -2.16 0.16 0.00 -1.21 0.00 0.00 43.02 39.81 1duy s PHE 30 CO 0.00 -0.19 1.18 -1.58 -1.34 0.00 0.00 175.22 173.28 1duy s HIS 31 N -2.33 -0.31 1.24 3.49 2.46 -0.61 -1.07 115.29 118.16 1duy s HIS 31 Ca 0.47 0.68 -0.20 0.00 0.47 0.00 0.00 55.06 56.48 1duy s HIS 31 Cb -0.10 0.33 0.30 0.00 -0.13 0.00 0.00 32.58 32.99 1duy s HIS 31 CO 0.34 -0.15 1.09 -1.25 -2.47 0.00 0.00 174.74 172.29 1duy s PRO 32 N 0.60 -1.53 0.39 2.88 0.04 -1.26 -0.92 135.00 135.20 1duy s PRO 32 Ca -0.01 -0.06 0.15 0.00 0.04 0.00 0.00 61.00 61.13 1duy s PRO 32 Cb -0.04 -1.56 0.80 0.00 0.04 0.00 0.00 34.50 33.74 1duy s PRO 32 CO -0.12 -3.92 1.85 0.66 0.04 0.00 0.00 177.00 175.51 1duy h SER 33 N -2.73 0.00 -3.00 6.66 4.64 -2.00 -3.44 113.55 113.68 1duy h SER 33 Ca -0.44 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.35 1duy h SER 33 Cb 1.30 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 63.45 1duy h SER 33 CO 0.32 0.34 0.88 -1.81 -0.87 0.00 0.00 176.83 175.70 1duy s ASP 34 N -6.79 6.51 -0.07 4.97 1.11 -1.26 -4.96 116.67 116.18 1duy s ASP 34 Ca -0.02 2.74 -0.27 0.00 0.18 0.00 0.00 52.55 55.18 1duy s ASP 34 Cb 0.14 -2.61 0.06 0.00 1.07 0.00 0.00 42.92 41.58 1duy s ASP 34 CO 0.70 -0.85 0.62 -0.51 1.18 0.00 0.00 175.17 176.31 1duy s ILE 35 N 0.69 0.01 -0.32 0.77 2.07 -1.26 -4.71 121.20 118.45 1duy s ILE 35 Ca 0.68 -0.08 -0.03 0.00 -1.41 0.00 0.00 60.65 59.81 1duy s ILE 35 Cb -0.45 -0.92 0.05 0.00 0.13 0.00 0.00 42.46 41.26 1duy s ILE 35 CO 0.37 -0.04 0.04 -0.70 -1.91 0.00 0.00 174.94 172.70 1duy s GLU 36 N -1.01 2.44 -0.12 3.50 2.12 -0.41 -4.99 118.70 120.23 1duy s GLU 36 Ca -0.10 -1.29 0.03 0.00 0.36 0.00 0.00 54.97 53.97 1duy s GLU 36 Cb -0.01 -3.28 0.01 0.00 0.26 0.00 0.00 34.13 31.10 1duy s GLU 36 CO 0.08 -0.67 -0.23 0.08 -0.54 0.00 0.00 175.26 173.99 1duy s VAL 37 N 1.28 2.05 0.07 3.70 1.01 -1.26 -1.31 120.40 125.94 1duy s VAL 37 Ca -0.03 -0.99 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1duy s VAL 37 Cb -0.20 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1duy s VAL 37 CO -0.00 0.55 -0.18 -1.81 0.00 0.00 0.00 175.10 173.66 1duy s ASP 38 N 0.64 2.18 -0.14 3.32 1.01 -0.43 -5.01 116.67 118.25 1duy s ASP 38 Ca -0.12 -0.59 -0.04 0.00 0.71 0.00 0.00 52.55 52.52 1duy s ASP 38 Cb -0.16 -0.13 -0.03 0.00 1.01 0.00 0.00 42.92 43.60 1duy s ASP 38 CO 0.02 0.05 -0.01 -0.76 0.21 0.00 0.00 175.17 174.69 1duy s LEU 39 N -1.54 3.46 -0.01 1.23 1.43 -1.26 -1.07 118.68 120.92 1duy s LEU 39 Ca 0.04 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.21 1duy s LEU 39 Cb -0.09 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.28 1duy s LEU 39 CO 0.03 0.24 -0.23 -0.76 0.23 0.00 0.00 176.35 175.85 1duy s LEU 40 N -0.03 2.24 -0.22 1.79 1.43 -0.08 -0.42 118.68 123.39 1duy s LEU 40 Ca 0.03 -0.44 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 1duy s LEU 40 Cb -0.13 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1duy s LEU 40 CO 0.02 0.31 -0.10 -0.75 0.23 0.00 0.00 176.35 176.06 1duy s LYS 41 N -0.81 3.00 -1.55 1.70 2.20 0.34 -2.04 119.74 122.59 1duy s LYS 41 Ca 0.11 -0.86 -0.07 0.00 -0.36 0.00 0.00 55.97 54.79 1duy s LYS 41 Cb -0.10 -2.87 0.06 0.00 -1.51 0.00 0.00 37.83 33.41 1duy s LYS 41 CO 0.00 -0.30 0.49 0.09 -0.36 0.00 0.00 175.35 175.27 1duy n ASN 42 N 4.68 -1.21 0.00 1.43 3.02 0.07 -0.99 115.26 122.27 1duy n ASN 42 Ca -0.18 -1.06 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1duy n ASN 42 Cb 0.49 -2.69 0.00 0.00 -0.61 0.00 0.00 39.78 36.96 1duy n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1duy n GLY 43 N -1.84 3.08 3.91 7.41 0.00 -1.26 -5.02 105.19 111.47 1duy n GLY 43 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.58 1duy n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1duy s GLU 44 N -0.17 3.60 0.15 1.61 8.01 -0.16 -4.97 118.70 126.78 1duy s GLU 44 Ca 0.00 -0.07 -0.30 0.00 0.01 0.00 0.00 54.97 54.61 1duy s GLU 44 Cb 0.00 -2.66 -0.08 0.00 -4.31 0.00 0.00 34.13 27.09 1duy s GLU 44 CO 0.00 0.21 1.21 0.50 0.01 0.00 0.00 175.26 177.19 1duy s ARG 45 N -3.67 4.47 0.01 1.61 3.52 -1.26 -0.50 118.95 123.13 1duy s ARG 45 Ca 0.43 1.86 -0.23 0.00 -0.13 0.00 0.00 55.73 57.66 1duy s ARG 45 Cb -0.11 -3.26 -0.05 0.00 -1.56 0.00 0.00 34.95 29.97 1duy s ARG 45 CO 0.31 -0.14 0.69 0.42 -0.81 0.00 0.00 175.30 175.78 1duy s ILE 46 N 0.24 4.83 -0.09 4.11 1.01 0.44 -4.85 121.20 126.88 1duy s ILE 46 Ca 0.55 1.47 -0.27 0.00 0.00 0.00 0.00 60.65 62.40 1duy s ILE 46 Cb -0.32 -4.04 -0.25 0.00 0.01 0.00 0.00 42.46 37.86 1duy s ILE 46 CO 0.35 0.37 0.93 -0.33 0.00 0.00 0.00 174.94 176.25 1duy h GLU 47 N 5.78 0.08 -4.45 2.79 4.39 -1.95 -3.41 114.58 117.82 1duy h GLU 47 Ca -0.44 -0.10 -0.75 0.00 0.34 0.00 0.00 59.36 58.41 1duy h GLU 47 Cb 1.20 0.03 -0.20 0.00 -0.10 0.00 0.00 28.75 29.68 1duy h GLU 47 CO 0.71 0.93 1.19 1.17 -1.16 0.00 0.00 179.01 181.84 1duy n LYS 48 N -4.57 3.42 -4.64 2.33 4.81 -1.26 -4.95 118.16 113.30 1duy n LYS 48 Ca -0.10 -3.98 -0.33 0.00 -0.87 0.00 0.00 58.31 53.03 1duy n LYS 48 Cb 0.48 -2.93 -0.15 0.00 0.02 0.00 0.00 35.03 32.45 1duy n LYS 48 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1duy s VAL 49 N 0.88 2.65 0.44 3.15 1.01 -1.26 -4.69 120.40 122.57 1duy s VAL 49 Ca 0.40 -0.78 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1duy s VAL 49 Cb -0.04 -2.10 -0.01 0.00 0.00 0.00 0.00 36.38 34.22 1duy s VAL 49 CO -0.01 0.52 0.36 -1.61 0.00 0.00 0.00 175.10 174.36 1duy s GLU 50 N 0.70 2.43 0.07 2.72 2.02 -0.33 -4.92 118.70 121.38 1duy s GLU 50 Ca -0.08 -1.67 -0.10 0.00 0.02 0.00 0.00 54.97 53.14 1duy s GLU 50 Cb -0.16 -2.28 0.01 0.00 0.10 0.00 0.00 34.13 31.81 1duy s GLU 50 CO 0.02 -0.26 0.23 -3.38 0.02 0.00 0.00 175.26 171.88 1duy s HIS 51 N -2.55 0.04 1.13 1.61 -3.43 -1.26 -0.91 115.29 109.93 1duy s HIS 51 Ca 0.45 -0.35 -0.16 0.00 -0.80 0.00 0.00 55.06 54.20 1duy s HIS 51 Cb -0.02 0.01 0.25 0.00 -1.43 0.00 0.00 32.58 31.39 1duy s HIS 51 CO 0.26 -0.52 1.09 -1.54 -2.00 0.00 0.00 174.74 172.04 1duy s SER 52 N -2.48 1.47 0.08 7.38 1.04 0.20 -4.96 113.70 116.42 1duy s SER 52 Ca -0.00 0.90 -0.25 0.00 0.48 0.00 0.00 55.95 57.08 1duy s SER 52 Cb 0.02 -1.35 -0.06 0.00 0.10 0.00 0.00 66.02 64.72 1duy s SER 52 CO -0.08 -3.82 0.78 -1.81 0.98 0.00 0.00 173.24 169.30 1duy s ASP 53 N -3.61 7.27 0.03 7.02 1.01 -1.26 -4.78 116.67 122.36 1duy s ASP 53 Ca 0.68 1.52 -0.36 0.00 0.71 0.00 0.00 52.55 55.10 1duy s ASP 53 Cb -0.14 -2.48 -0.15 0.00 1.01 0.00 0.00 42.92 41.15 1duy s ASP 53 CO 0.57 0.06 1.51 -0.11 0.21 0.00 0.00 175.17 177.41 1duy n LEU 54 N 2.51 2.28 -4.09 1.23 7.94 -1.26 -4.95 117.00 120.66 1duy n LEU 54 Ca -0.03 1.09 -0.10 0.00 -1.11 0.00 0.00 56.01 55.86 1duy n LEU 54 Cb 0.50 -1.26 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 1duy n LEU 54 CO 0.47 -0.67 -0.00 -0.55 -1.11 0.00 0.00 177.39 175.52 1duy s SER 55 N 1.40 0.02 0.10 1.96 0.15 -1.24 -5.06 113.70 111.03 1duy s SER 55 Ca 0.86 -1.13 -0.05 0.00 0.70 0.00 0.00 55.95 56.33 1duy s SER 55 Cb -0.88 0.50 -0.02 0.00 -1.71 0.00 0.00 66.02 63.90 1duy s SER 55 CO 0.48 -1.01 0.10 0.72 1.20 0.00 0.00 173.24 174.73 1duy s PHE 56 N -4.08 0.47 0.33 3.44 -0.12 -1.26 -1.64 117.98 115.11 1duy s PHE 56 Ca 0.30 -0.91 -0.03 0.00 -0.05 0.00 0.00 56.93 56.23 1duy s PHE 56 Cb 0.03 -0.26 0.07 0.00 -0.63 0.00 0.00 43.02 42.23 1duy s PHE 56 CO 0.10 -0.51 0.44 0.43 -0.05 0.00 0.00 175.22 175.64 1duy n SER 57 N -0.04 0.29 0.26 1.98 7.64 -0.11 -4.92 113.62 118.73 1duy n SER 57 Ca -0.11 -1.32 0.15 0.00 1.01 0.00 0.00 58.87 58.59 1duy n SER 57 Cb 0.62 -0.32 0.60 0.00 -1.01 0.00 0.00 64.21 64.11 1duy n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 1duy h LYS 58 N 0.00 0.00 -0.32 1.43 3.64 -2.03 -2.10 116.57 117.20 1duy h LYS 58 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1duy h LYS 58 Cb 0.46 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 1duy h LYS 58 CO 0.13 0.07 0.00 -0.40 -2.27 0.00 0.00 179.45 176.98 1duy n ASP 59 N -3.20 1.90 0.00 4.20 5.75 -1.26 -4.91 116.55 119.03 1duy n ASP 59 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1duy n ASP 59 Cb 0.35 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1duy n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 1duy n TRP 60 N 0.52 0.00 -2.14 2.11 7.02 -0.79 -5.01 117.44 119.15 1duy n TRP 60 Ca 0.13 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.24 1duy n TRP 60 Cb 0.32 -0.06 -0.00 0.00 -2.42 0.00 0.00 31.31 29.15 1duy n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1duy s SER 61 N -3.23 6.06 0.64 -0.99 1.04 -1.26 -4.61 113.70 111.36 1duy s SER 61 Ca 0.00 2.45 -0.08 0.00 0.48 0.00 0.00 55.95 58.81 1duy s SER 61 Cb 0.00 -2.62 0.02 0.00 0.10 0.00 0.00 66.02 63.52 1duy s SER 61 CO 0.00 -1.00 0.97 -0.36 0.98 0.00 0.00 173.24 173.83 1duy s PHE 62 N -1.44 3.22 -0.20 5.02 0.08 -0.24 -0.93 117.98 123.49 1duy s PHE 62 Ca 0.63 0.72 -0.19 0.00 0.12 0.00 0.00 56.93 58.21 1duy s PHE 62 Cb -0.33 -2.90 0.05 0.00 -0.57 0.00 0.00 43.02 39.28 1duy s PHE 62 CO 0.40 -1.02 0.54 1.52 -0.10 0.00 0.00 175.22 176.56 1duy s TYR 63 N -3.13 -0.59 0.00 0.36 -0.85 -0.65 -0.42 117.35 112.06 1duy s TYR 63 Ca 0.56 1.42 -0.01 0.00 -0.52 0.00 0.00 57.07 58.52 1duy s TYR 63 Cb -0.11 0.21 -0.01 0.00 0.38 0.00 0.00 41.96 42.43 1duy s TYR 63 CO 0.47 -0.29 0.02 -0.51 -1.52 0.00 0.00 175.55 173.71 1duy s LEU 64 N 0.22 1.98 -0.24 -3.49 1.43 0.12 -3.64 118.68 115.06 1duy s LEU 64 Ca -0.00 -0.16 -0.05 0.00 -1.03 0.00 0.00 54.13 52.88 1duy s LEU 64 Cb -0.04 0.16 -0.00 0.00 0.03 0.00 0.00 46.19 46.34 1duy s LEU 64 CO 0.01 -0.15 -0.00 -0.22 0.23 0.00 0.00 176.35 176.22 1duy s LEU 65 N -0.65 3.20 -0.12 1.79 2.96 -1.26 -1.48 118.68 123.12 1duy s LEU 65 Ca -0.07 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 1duy s LEU 65 Cb -0.04 -1.78 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1duy s LEU 65 CO -0.00 -0.07 0.07 -0.31 -1.32 0.00 0.00 176.35 174.71 1duy s TYR 66 N 1.48 3.34 0.11 5.38 1.51 -0.14 -0.63 117.35 128.40 1duy s TYR 66 Ca 0.05 0.29 -0.17 0.00 -1.01 0.00 0.00 57.07 56.23 1duy s TYR 66 Cb -0.15 -1.91 0.04 0.00 -0.11 0.00 0.00 41.96 39.83 1duy s TYR 66 CO -0.01 0.50 0.42 1.52 -1.11 0.00 0.00 175.55 176.87 1duy s TYR 67 N -0.67 -0.24 -0.09 2.71 1.13 -0.09 -0.71 117.35 119.40 1duy s TYR 67 Ca 0.12 0.01 -0.24 0.00 -1.41 0.00 0.00 57.07 55.54 1duy s TYR 67 Cb -0.12 0.27 0.05 0.00 -1.10 0.00 0.00 41.96 41.07 1duy s TYR 67 CO 0.02 -0.68 0.56 -0.08 -2.51 0.00 0.00 175.55 172.87 1duy s THR 68 N -3.47 0.01 0.46 -3.49 -1.32 -0.99 -1.19 115.64 105.66 1duy s THR 68 Ca 0.01 -0.12 -0.22 0.00 -1.21 0.00 0.00 61.69 60.14 1duy s THR 68 Cb 0.01 -0.85 -0.08 0.00 -1.51 0.00 0.00 72.50 70.07 1duy s THR 68 CO -0.10 -0.07 1.11 -1.61 -2.21 0.00 0.00 174.62 171.74 1duy s GLU 69 N -0.83 3.81 -0.08 7.08 2.02 -1.26 -1.04 118.70 128.40 1duy s GLU 69 Ca -0.09 1.61 -0.31 0.00 0.02 0.00 0.00 54.97 56.19 1duy s GLU 69 Cb -0.02 -2.32 0.12 0.00 0.10 0.00 0.00 34.13 32.00 1duy s GLU 69 CO 0.06 -0.47 1.06 -0.59 0.02 0.00 0.00 175.26 175.34 1duy s PHE 70 N -1.69 -0.21 -0.29 1.61 -0.71 -0.54 -4.83 117.98 111.32 1duy s PHE 70 Ca 0.64 0.11 0.03 0.00 -1.04 0.00 0.00 56.93 56.66 1duy s PHE 70 Cb -0.24 0.54 0.08 0.00 -1.21 0.00 0.00 43.02 42.19 1duy s PHE 70 CO 0.29 -0.40 -0.01 0.99 -1.34 0.00 0.00 175.22 174.75 1duy s THR 71 N -2.77 1.96 0.34 -4.49 2.01 -1.26 -0.10 115.64 111.33 1duy s THR 71 Ca 0.08 -1.81 -0.29 0.00 0.31 0.00 0.00 61.69 59.98 1duy s THR 71 Cb -0.01 -2.29 -0.11 0.00 0.01 0.00 0.00 72.50 70.11 1duy s THR 71 CO -0.06 -0.34 1.43 -2.16 -0.69 0.00 0.00 174.62 172.80 1duy s PRO 72 N 1.13 4.21 0.49 4.92 0.04 -1.26 -4.74 135.00 139.79 1duy s PRO 72 Ca 0.01 2.42 0.01 0.00 0.04 0.00 0.00 61.00 63.48 1duy s PRO 72 Cb -0.19 -3.02 0.01 0.00 0.04 0.00 0.00 34.50 31.33 1duy s PRO 72 CO -0.08 -0.41 0.06 0.25 0.04 0.00 0.00 177.00 176.85 1duy n THR 73 N 0.89 0.00 0.06 1.26 -2.24 -1.26 -1.36 114.28 111.62 1duy n THR 73 Ca 0.02 -2.26 -0.15 0.00 -2.27 0.00 0.00 64.05 59.38 1duy n THR 73 Cb 0.40 0.39 -0.06 0.00 -2.10 0.00 0.00 70.33 68.96 1duy n THR 73 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1duy h GLU 74 N 0.00 0.50 0.00 -0.78 4.81 -1.98 -3.36 114.58 113.77 1duy h GLU 74 Ca -0.39 -0.53 -0.00 0.00 -0.13 0.00 0.00 59.36 58.31 1duy h GLU 74 Cb 1.22 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.75 1duy h GLU 74 CO 0.65 1.16 -1.44 0.36 -0.73 0.00 0.00 179.01 179.02 1duy n LYS 75 N -3.79 0.63 -2.22 1.92 2.85 -1.26 -4.94 118.16 111.35 1duy n LYS 75 Ca -0.08 -0.01 -0.42 0.00 -1.05 0.00 0.00 58.31 56.75 1duy n LYS 75 Cb 0.84 -1.70 -0.03 0.00 -0.65 0.00 0.00 35.03 33.49 1duy n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1duy s ASP 76 N -5.00 6.89 -0.08 -5.58 1.01 -1.26 -5.02 116.67 107.63 1duy s ASP 76 Ca -0.04 2.30 -0.03 0.00 0.71 0.00 0.00 52.55 55.49 1duy s ASP 76 Cb 0.11 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.41 1duy s ASP 76 CO 0.84 -0.58 0.07 -1.61 0.21 0.00 0.00 175.17 174.10 1duy s GLU 77 N 0.71 3.16 0.16 8.23 2.02 -1.26 -4.76 118.70 126.96 1duy s GLU 77 Ca 0.61 -0.33 0.07 0.00 0.02 0.00 0.00 54.97 55.34 1duy s GLU 77 Cb -0.36 -2.94 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 1duy s GLU 77 CO 0.33 0.72 -0.15 0.71 0.02 0.00 0.00 175.26 176.88 1duy s TYR 78 N -1.01 1.58 0.28 1.61 1.51 -1.26 -0.75 117.35 119.31 1duy s TYR 78 Ca 0.16 -0.57 -0.20 0.00 -1.01 0.00 0.00 57.07 55.45 1duy s TYR 78 Cb -0.12 -0.78 0.02 0.00 -0.11 0.00 0.00 41.96 40.97 1duy s TYR 78 CO 0.06 0.25 0.71 0.00 -1.11 0.00 0.00 175.55 175.46 1duy s ALA 79 N -2.54 -1.16 -0.10 3.71 0.00 -0.86 -1.09 121.76 119.71 1duy s ALA 79 Ca 0.16 -0.35 0.01 0.00 0.00 0.00 0.00 51.96 51.78 1duy s ALA 79 Cb -0.03 0.85 0.02 0.00 0.00 0.00 0.00 23.12 23.96 1duy s ALA 79 CO 0.05 -1.03 -0.12 0.00 0.00 0.00 0.00 175.76 174.65 1duy s ARG 81 N 1.14 2.68 0.16 0.00 3.52 -0.23 -0.95 118.95 125.27 1duy s ARG 81 Ca -0.05 -1.12 0.06 0.00 -0.13 0.00 0.00 55.73 54.49 1duy s ARG 81 Cb -0.14 -3.33 -0.04 0.00 -1.56 0.00 0.00 34.95 29.87 1duy s ARG 81 CO -0.03 -0.59 0.05 0.08 -0.81 0.00 0.00 175.30 174.00 1duy s VAL 82 N 1.38 4.04 -0.04 7.11 1.01 0.36 -1.31 120.40 132.95 1duy s VAL 82 Ca -0.02 -1.23 -0.10 0.00 0.00 0.00 0.00 61.98 60.63 1duy s VAL 82 Cb -0.19 -3.02 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1duy s VAL 82 CO 0.01 -0.07 0.24 0.21 0.00 0.00 0.00 175.10 175.49 1duy s ASN 83 N -2.89 -0.16 -0.09 3.32 3.84 -0.43 -0.30 114.94 118.24 1duy s ASN 83 Ca 0.28 0.18 -0.30 0.00 0.21 0.00 0.00 52.86 53.23 1duy s ASN 83 Cb -0.10 0.37 0.12 0.00 -0.55 0.00 0.00 41.25 41.08 1duy s ASN 83 CO 0.20 -0.28 0.95 -2.28 -2.79 0.00 0.00 177.10 172.90 1duy s HIS 84 N -0.76 -0.35 0.52 0.43 5.65 -1.26 -1.29 115.29 118.23 1duy s HIS 84 Ca -0.09 0.43 0.29 0.00 0.25 0.00 0.00 55.06 55.94 1duy s HIS 84 Cb -0.05 0.49 1.43 0.00 -1.18 0.00 0.00 32.58 33.27 1duy s HIS 84 CO 0.02 -0.43 1.91 -0.39 -0.65 0.00 0.00 174.74 175.20 1duy h VAL 85 N 2.29 0.61 0.00 0.89 -1.51 -1.95 0.25 116.25 116.83 1duy h VAL 85 Ca -0.20 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.26 1duy h VAL 85 Cb 1.20 0.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 1duy h VAL 85 CO 0.31 0.01 0.00 0.35 -1.23 0.00 0.00 177.57 177.00 1duy n THR 86 N -4.32 0.00 -4.10 7.19 -2.24 -1.26 -4.69 114.28 104.86 1duy n THR 86 Ca 0.17 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.62 1duy n THR 86 Cb 0.86 -0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 68.39 1duy n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1duy s LEU 87 N -1.92 2.39 0.41 3.22 1.43 0.89 -4.96 118.68 120.15 1duy s LEU 87 Ca 0.37 -0.81 0.14 0.00 -1.03 0.00 0.00 54.13 52.80 1duy s LEU 87 Cb 0.17 -1.47 0.99 0.00 0.03 0.00 0.00 46.19 45.91 1duy s LEU 87 CO 0.29 -0.05 1.91 0.77 0.23 0.00 0.00 176.35 179.50 1duy h SER 88 N 7.91 0.46 -5.19 2.29 4.64 -1.84 -3.42 113.55 118.40 1duy h SER 88 Ca -0.39 0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 60.85 1duy h SER 88 Cb 1.12 -0.07 -0.14 0.00 -0.31 0.00 0.00 62.40 63.00 1duy h SER 88 CO 0.59 0.24 -0.51 -1.10 -0.87 0.00 0.00 176.83 175.18 1duy s GLN 89 N -5.48 0.74 0.14 4.77 -0.21 -1.26 -5.11 119.66 113.25 1duy s GLN 89 Ca -0.08 -1.07 -0.33 0.00 0.02 0.00 0.00 55.36 53.90 1duy s GLN 89 Cb 0.21 0.28 -0.13 0.00 1.00 0.00 0.00 33.01 34.38 1duy s GLN 89 CO 0.77 -0.20 1.70 -0.35 -2.12 0.00 0.00 175.29 175.09 1duy n PRO 90 N 0.02 2.44 -3.19 2.91 -0.04 -1.26 -4.90 135.00 130.98 1duy n PRO 90 Ca -0.15 0.88 -0.40 0.00 -0.04 0.00 0.00 63.50 63.80 1duy n PRO 90 Cb 0.62 -2.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.31 1duy n PRO 90 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1duy s LYS 91 N 1.70 4.19 -0.20 0.54 2.47 0.59 -4.87 119.74 124.17 1duy s LYS 91 Ca 0.80 0.50 -0.04 0.00 -1.56 0.00 0.00 55.97 55.67 1duy s LYS 91 Cb -0.60 -3.57 -0.02 0.00 -1.46 0.00 0.00 37.83 32.18 1duy s LYS 91 CO 0.38 -0.20 -0.02 0.42 0.16 0.00 0.00 175.35 176.09 1duy s ILE 92 N 1.80 3.74 -0.16 5.43 1.01 -1.26 -0.49 121.20 131.28 1duy s ILE 92 Ca 0.26 -0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.53 1duy s ILE 92 Cb -0.16 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.63 1duy s ILE 92 CO 0.10 0.43 -0.17 -0.69 0.00 0.00 0.00 174.94 174.61 1duy s VAL 93 N 1.08 2.46 0.42 2.92 1.01 -0.12 -4.94 120.40 123.22 1duy s VAL 93 Ca 0.02 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 1duy s VAL 93 Cb -0.14 -2.03 -0.10 0.00 0.00 0.00 0.00 36.38 34.11 1duy s VAL 93 CO 0.01 0.52 0.98 -0.54 0.00 0.00 0.00 175.10 176.07 1duy s LYS 94 N 0.89 4.20 -0.03 2.72 1.02 -1.26 -0.90 119.74 126.37 1duy s LYS 94 Ca -0.04 1.24 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 1duy s LYS 94 Cb -0.15 -2.30 -0.03 0.00 -0.52 0.00 0.00 37.83 34.83 1duy s LYS 94 CO -0.02 -0.07 0.93 -0.46 -0.92 0.00 0.00 175.35 174.81 1duy s TRP 95 N -2.00 3.62 -0.16 3.18 -0.00 -0.25 -4.86 118.94 118.47 1duy s TRP 95 Ca 0.61 1.60 0.01 0.00 -0.00 0.00 0.00 56.10 58.31 1duy s TRP 95 Cb -0.13 -3.07 0.01 0.00 -0.00 0.00 0.00 33.47 30.27 1duy s TRP 95 CO 0.18 -0.03 -0.17 0.34 -0.00 0.00 0.00 176.95 177.27 1duy s ASP 96 N 0.99 3.47 0.53 5.86 -1.08 -1.26 -4.75 116.67 120.43 1duy s ASP 96 Ca 0.49 -0.54 0.28 0.00 -0.52 0.00 0.00 52.55 52.26 1duy s ASP 96 Cb -0.20 -1.53 1.43 0.00 -1.46 0.00 0.00 42.92 41.15 1duy s ASP 96 CO 0.24 0.05 1.94 0.03 0.52 0.00 0.00 175.17 177.96 1duy h ARG 97 N 7.55 0.02 -0.99 4.34 3.08 -1.95 -2.46 114.38 123.97 1duy h ARG 97 Ca -0.37 -0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.06 1duy h ARG 97 Cb 1.17 -0.00 -0.30 0.00 0.08 0.00 0.00 29.97 30.92 1duy h ARG 97 CO 0.59 0.01 0.76 -3.47 -1.07 0.00 0.00 179.97 176.79 1duy n ASP 98 N -4.33 6.28 0.00 7.04 4.64 -1.26 -4.84 116.55 124.08 1duy n ASP 98 Ca 0.14 -3.73 0.00 0.00 -1.38 0.00 0.00 54.79 49.82 1duy n ASP 98 Cb 0.78 -0.92 0.00 0.00 -1.04 0.00 0.00 41.12 39.94 1duy n ASP 98 CO 0.00 0.00 0.00 0.23 -0.82 0.00 0.00 177.20 176.61