#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pnd s ASP 2 N 0.00 6.54 -0.15 9.51 -0.00 -1.26 -0.58 116.67 130.73 1pnd s ASP 2 Ca 0.00 0.64 0.01 0.00 -0.00 0.00 0.00 52.55 53.20 1pnd s ASP 2 Cb 0.00 -2.20 0.02 0.00 -0.00 0.00 0.00 42.92 40.74 1pnd s ASP 2 CO 0.00 0.15 -0.15 -0.69 -0.00 0.00 0.00 175.17 174.48 1pnd s VAL 3 N 0.08 1.65 0.37 -1.27 1.01 0.50 -4.56 120.40 118.18 1pnd s VAL 3 Ca 0.19 -0.69 -0.25 0.00 0.00 0.00 0.00 61.98 61.23 1pnd s VAL 3 Cb -0.14 -1.53 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 1pnd s VAL 3 CO 0.07 0.47 1.04 -0.76 0.00 0.00 0.00 175.10 175.92 1pnd s LEU 4 N 1.41 4.25 -0.55 3.92 1.43 0.61 -0.33 118.68 129.42 1pnd s LEU 4 Ca 0.04 2.04 -0.09 0.00 -1.03 0.00 0.00 54.13 55.09 1pnd s LEU 4 Cb -0.13 -4.06 0.14 0.00 0.03 0.00 0.00 46.19 42.17 1pnd s LEU 4 CO -0.10 -0.36 0.43 -0.76 0.23 0.00 0.00 176.35 175.79 1pnd s LEU 5 N -2.33 5.80 0.00 1.79 1.43 -0.07 -1.10 118.68 124.20 1pnd s LEU 5 Ca 0.54 -2.17 0.00 0.00 -1.03 0.00 0.00 54.13 51.47 1pnd s LEU 5 Cb -0.23 -2.02 0.00 0.00 0.03 0.00 0.00 46.19 43.97 1pnd s LEU 5 CO 0.29 -0.63 0.00 0.61 0.23 0.00 0.00 176.35 176.85 1pnd n GLY 6 N 4.56 1.23 3.92 -3.19 0.00 0.41 -0.95 105.19 111.17 1pnd n GLY 6 Ca -0.03 -1.47 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1pnd n GLY 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pnd s ALA 7 N -0.99 3.25 -0.41 4.61 0.00 0.52 -4.04 121.76 124.70 1pnd s ALA 7 Ca 0.00 -0.71 0.21 0.00 0.00 0.00 0.00 51.96 51.46 1pnd s ALA 7 Cb 0.00 -2.63 1.00 0.00 0.00 0.00 0.00 23.12 21.48 1pnd s ALA 7 CO 0.00 -0.92 1.65 -0.25 0.00 0.00 0.00 175.76 176.24 1pnd n ASP 8 N -2.68 0.56 -1.27 0.00 8.00 -1.26 -0.47 116.55 119.44 1pnd n ASP 8 Ca 0.05 0.69 0.11 0.00 0.71 0.00 0.00 54.79 56.36 1pnd n ASP 8 Cb 0.58 -0.79 0.30 0.00 -0.02 0.00 0.00 41.12 41.19 1pnd n ASP 8 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1pnd n ASP 9 N -2.18 3.70 0.00 -2.24 5.68 -1.26 -4.94 116.55 115.32 1pnd n ASP 9 Ca 0.01 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1pnd n ASP 9 Cb 0.14 -0.43 0.00 0.00 -1.14 0.00 0.00 41.12 39.69 1pnd n ASP 9 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pnd n GLY 10 N 1.60 1.03 3.78 6.12 0.00 0.38 -5.04 105.19 113.06 1pnd n GLY 10 Ca 0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1pnd n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pnd s SER 11 N -3.06 6.30 -1.29 1.61 0.01 -1.26 -4.69 113.70 111.32 1pnd s SER 11 Ca 0.00 2.98 -0.17 0.00 1.31 0.00 0.00 55.95 60.07 1pnd s SER 11 Cb 0.00 -2.66 0.09 0.00 0.21 0.00 0.00 66.02 63.65 1pnd s SER 11 CO 0.00 -0.90 1.70 0.18 0.41 0.00 0.00 173.24 174.63 1pnd n LEU 12 N 0.36 5.04 -3.91 2.44 4.77 -1.26 -0.36 117.00 124.08 1pnd n LEU 12 Ca 0.02 -4.02 -0.09 0.00 -0.03 0.00 0.00 56.01 51.88 1pnd n LEU 12 Cb 0.40 -1.72 -0.09 0.00 -2.33 0.00 0.00 43.42 39.68 1pnd n LEU 12 CO 0.62 0.28 -0.19 0.00 -1.33 0.00 0.00 177.39 176.77 1pnd s ALA 13 N 3.72 -0.11 0.01 -1.18 0.00 -1.26 -3.68 121.76 119.26 1pnd s ALA 13 Ca 0.52 -0.52 -0.27 0.00 0.00 0.00 0.00 51.96 51.69 1pnd s ALA 13 Cb 0.03 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.37 1pnd s ALA 13 CO 0.06 -0.34 0.84 -0.06 0.00 0.00 0.00 175.76 176.27 1pnd s PHE 14 N -2.69 3.69 -0.22 0.00 0.08 -1.26 -0.44 117.98 117.13 1pnd s PHE 14 Ca -0.04 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.55 1pnd s PHE 14 Cb -0.01 -2.94 0.06 0.00 -0.57 0.00 0.00 43.02 39.56 1pnd s PHE 14 CO -0.05 0.14 -0.05 0.08 -0.10 0.00 0.00 175.22 175.23 1pnd s VAL 15 N 0.47 1.47 0.74 -0.44 1.01 -0.26 -3.01 120.40 120.37 1pnd s VAL 15 Ca 0.43 -1.13 -0.11 0.00 0.00 0.00 0.00 61.98 61.17 1pnd s VAL 15 Cb -0.20 -1.72 0.03 0.00 0.00 0.00 0.00 36.38 34.49 1pnd s VAL 15 CO 0.24 -0.06 1.09 -2.16 0.00 0.00 0.00 175.10 174.21 1pnd s PRO 16 N 1.43 2.59 -0.05 2.72 0.04 -1.26 -0.29 135.00 140.19 1pnd s PRO 16 Ca -0.05 0.55 0.15 0.00 0.04 0.00 0.00 61.00 61.70 1pnd s PRO 16 Cb -0.18 -1.98 -0.23 0.00 0.04 0.00 0.00 34.50 32.14 1pnd s PRO 16 CO -0.07 -1.25 0.29 -1.13 0.04 0.00 0.00 177.00 174.88 1pnd n SER 17 N -3.17 1.41 -4.20 6.66 3.41 -1.17 -4.84 113.62 111.72 1pnd n SER 17 Ca 0.07 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.38 1pnd n SER 17 Cb 0.57 1.54 -0.17 0.00 -0.26 0.00 0.00 64.21 65.90 1pnd n SER 17 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1pnd s GLU 18 N -2.94 2.47 0.15 4.33 2.02 -1.26 -0.73 118.70 122.74 1pnd s GLU 18 Ca -0.06 -0.79 -0.24 0.00 0.02 0.00 0.00 54.97 53.90 1pnd s GLU 18 Cb 0.09 -2.00 0.07 0.00 0.10 0.00 0.00 34.13 32.38 1pnd s GLU 18 CO 0.64 0.26 0.68 -0.59 0.02 0.00 0.00 175.26 176.27 1pnd s PHE 19 N 0.12 -0.43 -0.03 1.61 -0.12 -1.04 -5.01 117.98 113.08 1pnd s PHE 19 Ca -0.10 0.19 0.06 0.00 -0.05 0.00 0.00 56.93 57.03 1pnd s PHE 19 Cb -0.15 0.58 -0.02 0.00 -0.63 0.00 0.00 43.02 42.80 1pnd s PHE 19 CO 0.05 -0.86 -0.20 -1.12 -0.05 0.00 0.00 175.22 173.04 1pnd s SER 20 N -2.74 3.59 0.27 1.98 0.01 -1.26 -0.86 113.70 114.70 1pnd s SER 20 Ca 0.04 -0.32 0.02 0.00 1.31 0.00 0.00 55.95 57.00 1pnd s SER 20 Cb -0.02 -0.62 -0.05 0.00 0.21 0.00 0.00 66.02 65.54 1pnd s SER 20 CO -0.08 0.33 0.09 0.27 0.41 0.00 0.00 173.24 174.26 1pnd s ILE 21 N -0.68 0.67 0.26 1.44 -4.36 -0.00 -4.93 121.20 113.60 1pnd s ILE 21 Ca 0.11 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.52 1pnd s ILE 21 Cb -0.10 -2.66 -0.03 0.00 1.25 0.00 0.00 42.46 40.91 1pnd s ILE 21 CO -0.00 0.00 0.41 -0.44 0.24 0.00 0.00 174.94 175.15 1pnd s SER 22 N -3.35 6.32 0.02 4.36 0.01 -1.26 -1.31 113.70 118.49 1pnd s SER 22 Ca 0.37 0.24 -0.37 0.00 1.31 0.00 0.00 55.95 57.50 1pnd s SER 22 Cb 0.08 -1.94 -0.16 0.00 0.21 0.00 0.00 66.02 64.21 1pnd s SER 22 CO 0.14 -0.12 1.47 -2.65 0.41 0.00 0.00 173.24 172.48 1pnd n PRO 23 N -1.35 1.30 -0.67 12.44 -0.02 -1.26 -1.79 135.00 143.65 1pnd n PRO 23 Ca -0.07 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1pnd n PRO 23 Cb 0.56 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1pnd n PRO 23 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pnd n GLY 24 N 3.01 1.30 3.68 -1.23 0.00 -0.01 -5.00 105.19 106.94 1pnd n GLY 24 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 1pnd n GLY 24 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pnd s GLU 25 N -0.14 4.24 0.34 1.61 2.12 -0.74 -4.83 118.70 121.29 1pnd s GLU 25 Ca 0.00 2.04 -0.29 0.00 0.36 0.00 0.00 54.97 57.08 1pnd s GLU 25 Cb 0.00 -3.71 -0.11 0.00 0.26 0.00 0.00 34.13 30.58 1pnd s GLU 25 CO 0.00 -0.68 1.39 -1.59 -0.54 0.00 0.00 175.26 173.83 1pnd s LYS 26 N 2.99 4.26 -0.19 4.30 -2.85 -1.26 -4.18 119.74 122.81 1pnd s LYS 26 Ca 0.67 2.35 -0.05 0.00 -1.00 0.00 0.00 55.97 57.94 1pnd s LYS 26 Cb -0.32 -3.04 -0.02 0.00 -2.06 0.00 0.00 37.83 32.39 1pnd s LYS 26 CO 0.27 -0.33 -0.01 0.42 0.10 0.00 0.00 175.35 175.79 1pnd s ILE 27 N -0.99 3.86 -0.29 3.79 1.01 0.44 0.05 121.20 129.07 1pnd s ILE 27 Ca 0.52 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 1pnd s ILE 27 Cb -0.42 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.35 1pnd s ILE 27 CO 0.55 0.44 0.01 -0.69 0.00 0.00 0.00 174.94 175.25 1pnd s VAL 28 N 0.90 3.18 -0.24 2.92 1.01 0.25 -1.52 120.40 126.89 1pnd s VAL 28 Ca 0.00 -1.18 -0.22 0.00 0.00 0.00 0.00 61.98 60.59 1pnd s VAL 28 Cb -0.14 -2.75 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1pnd s VAL 28 CO 0.02 -0.02 0.70 -0.36 0.00 0.00 0.00 175.10 175.44 1pnd s PHE 29 N 1.32 3.30 -0.15 5.22 0.40 0.48 -0.37 117.98 128.18 1pnd s PHE 29 Ca -0.03 0.94 0.02 0.00 -0.60 0.00 0.00 56.93 57.26 1pnd s PHE 29 Cb -0.19 -2.91 0.02 0.00 0.51 0.00 0.00 43.02 40.45 1pnd s PHE 29 CO -0.01 -0.34 -0.19 0.21 0.70 0.00 0.00 175.22 175.59 1pnd s LYS 30 N 2.57 2.83 0.01 0.44 2.20 0.56 -1.01 119.74 127.33 1pnd s LYS 30 Ca 0.29 -0.77 -0.34 0.00 -0.36 0.00 0.00 55.97 54.79 1pnd s LYS 30 Cb -0.15 -2.38 -0.13 0.00 -1.51 0.00 0.00 37.83 33.66 1pnd s LYS 30 CO 0.08 -0.12 1.75 0.09 -0.36 0.00 0.00 175.35 176.79 1pnd n ASN 31 N 4.38 3.28 0.04 1.43 3.02 0.42 -0.89 115.26 126.94 1pnd n ASN 31 Ca -0.20 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.37 1pnd n ASN 31 Cb 0.51 -1.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.29 1pnd n ASN 31 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1pnd n ASN 32 N 5.28 0.63 -3.86 6.41 5.15 -0.13 -0.70 115.26 128.04 1pnd n ASN 32 Ca 0.20 0.11 -0.11 0.00 -0.60 0.00 0.00 54.58 54.19 1pnd n ASN 32 Cb 0.29 -0.17 -0.09 0.00 -0.53 0.00 0.00 39.78 39.28 1pnd n ASN 32 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1pnd s ALA 33 N -2.00 -0.33 -1.72 5.20 0.00 -0.87 -4.89 121.76 117.16 1pnd s ALA 33 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 51.96 51.74 1pnd s ALA 33 Cb 0.00 0.19 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1pnd s ALA 33 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 175.89 1pnd n GLY 34 N 1.05 1.55 3.72 0.00 0.00 -1.26 -4.13 105.19 106.11 1pnd n GLY 34 Ca -0.21 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.25 1pnd n GLY 34 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1pnd s PHE 35 N -2.62 2.04 0.66 1.61 -0.12 -1.26 -4.72 117.98 113.57 1pnd s PHE 35 Ca 0.00 1.68 -0.15 0.00 -0.05 0.00 0.00 56.93 58.41 1pnd s PHE 35 Cb 0.00 -3.27 -0.00 0.00 -0.63 0.00 0.00 43.02 39.12 1pnd s PHE 35 CO 0.00 -2.41 1.11 -2.14 -0.05 0.00 0.00 175.22 171.73 1pnd s PRO 36 N -4.56 2.81 0.14 1.99 0.02 -1.26 -5.08 135.00 129.05 1pnd s PRO 36 Ca 0.66 1.37 -0.01 0.00 0.02 0.00 0.00 61.00 63.05 1pnd s PRO 36 Cb -0.22 -1.95 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 1pnd s PRO 36 CO 0.54 -1.24 0.05 -1.01 -0.33 0.00 0.00 177.00 175.02 1pnd s HIS 37 N -2.36 0.92 0.16 6.54 3.76 -0.87 -4.96 115.29 118.47 1pnd s HIS 37 Ca 0.67 -1.22 0.01 0.00 -0.15 0.00 0.00 55.06 54.37 1pnd s HIS 37 Cb -0.20 -0.51 -0.00 0.00 1.11 0.00 0.00 32.58 32.97 1pnd s HIS 37 CO 0.42 -0.49 0.18 0.27 -0.85 0.00 0.00 174.74 174.27 1pnd n ASN 38 N -0.12 -0.48 -3.68 1.40 0.23 -1.26 -0.19 115.26 111.16 1pnd n ASN 38 Ca -0.05 -1.95 -0.25 0.00 -0.53 0.00 0.00 54.58 51.79 1pnd n ASN 38 Cb 0.64 0.98 -0.17 0.00 -2.08 0.00 0.00 39.78 39.15 1pnd n ASN 38 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 1pnd s ILE 39 N -2.62 0.16 -0.15 1.53 1.09 -1.26 -4.11 121.20 115.84 1pnd s ILE 39 Ca 0.16 -0.18 0.02 0.00 -1.10 0.00 0.00 60.65 59.55 1pnd s ILE 39 Cb 0.00 -0.66 0.01 0.00 -1.06 0.00 0.00 42.46 40.75 1pnd s ILE 39 CO 0.11 -0.13 -0.21 -0.69 -0.10 0.00 0.00 174.94 173.92 1pnd s VAL 40 N 2.03 2.07 0.06 2.92 1.01 0.54 -1.41 120.40 127.61 1pnd s VAL 40 Ca 0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.75 1pnd s VAL 40 Cb -0.15 -1.84 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1pnd s VAL 40 CO -0.07 0.55 0.91 -0.36 0.00 0.00 0.00 175.10 176.12 1pnd s PHE 41 N 0.99 3.74 -0.31 5.22 0.08 -1.26 -0.83 117.98 125.61 1pnd s PHE 41 Ca -0.03 1.68 -0.29 0.00 0.12 0.00 0.00 56.93 58.42 1pnd s PHE 41 Cb -0.15 -3.01 -0.02 0.00 -0.57 0.00 0.00 43.02 39.28 1pnd s PHE 41 CO -0.06 0.16 1.71 0.34 -0.10 0.00 0.00 175.22 177.26 1pnd s ASP 42 N 0.30 6.07 0.06 1.36 -1.08 0.49 -4.89 116.67 119.00 1pnd s ASP 42 Ca 0.46 1.33 0.16 0.00 -0.52 0.00 0.00 52.55 53.98 1pnd s ASP 42 Cb -0.22 -2.53 0.66 0.00 -1.46 0.00 0.00 42.92 39.38 1pnd s ASP 42 CO 0.27 -1.56 1.49 -1.84 0.52 0.00 0.00 175.17 174.05 1pnd n GLU 43 N 8.20 0.05 0.00 4.34 0.28 -1.26 -0.53 120.64 131.71 1pnd n GLU 43 Ca 0.21 0.32 0.12 0.00 -0.16 0.00 0.00 57.16 57.65 1pnd n GLU 43 Cb 0.46 -1.59 0.15 0.00 1.43 0.00 0.00 31.44 31.89 1pnd n GLU 43 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 1pnd n ASP 44 N -1.68 2.15 -2.58 -1.84 10.43 -1.26 -4.46 116.55 117.31 1pnd n ASP 44 Ca 0.03 -1.59 -0.15 0.00 2.57 0.00 0.00 54.79 55.65 1pnd n ASP 44 Cb 0.17 0.22 0.02 0.00 1.84 0.00 0.00 41.12 43.37 1pnd n ASP 44 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1pnd n SER 45 N 0.36 2.73 -4.01 -2.24 7.64 0.31 -5.02 113.62 113.38 1pnd n SER 45 Ca 0.12 -3.03 -0.09 0.00 1.01 0.00 0.00 58.87 56.88 1pnd n SER 45 Cb 0.48 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 1pnd n SER 45 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 1pnd s ILE 46 N -4.06 0.13 -0.12 0.44 -4.36 -1.20 -0.93 121.20 111.09 1pnd s ILE 46 Ca 0.35 -1.56 -0.37 0.00 -0.26 0.00 0.00 60.65 58.81 1pnd s ILE 46 Cb 0.42 -1.70 -0.15 0.00 1.25 0.00 0.00 42.46 42.28 1pnd s ILE 46 CO -0.04 -0.58 1.70 -2.65 0.24 0.00 0.00 174.94 173.61 1pnd n PRO 47 N -0.08 1.54 0.33 0.37 -0.02 -1.25 -4.82 135.00 131.07 1pnd n PRO 47 Ca -0.10 0.56 0.19 0.00 -2.02 0.00 0.00 63.50 62.13 1pnd n PRO 47 Cb 0.63 -2.29 0.99 0.00 -0.02 0.00 0.00 33.50 32.80 1pnd n PRO 47 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1pnd h SER 48 N 7.19 0.00 -0.15 2.55 0.02 -1.96 -1.29 113.55 119.90 1pnd h SER 48 Ca -0.47 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1pnd h SER 48 Cb 1.30 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.84 1pnd h SER 48 CO 0.92 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1pnd n GLY 49 N -1.17 1.10 3.76 -3.77 0.00 -1.26 -4.96 105.19 98.88 1pnd n GLY 49 Ca -0.02 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.95 1pnd n GLY 49 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pnd s VAL 50 N -1.64 3.29 -0.48 1.61 1.01 -0.49 -4.98 120.40 118.72 1pnd s VAL 50 Ca 0.29 1.22 -0.23 0.00 0.00 0.00 0.00 61.98 63.26 1pnd s VAL 50 Cb 0.19 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.82 1pnd s VAL 50 CO 0.28 0.26 0.83 -0.62 0.00 0.00 0.00 175.10 175.85 1pnd s ASP 51 N -0.46 6.39 0.62 3.32 3.68 -1.26 -4.91 116.67 124.04 1pnd s ASP 51 Ca 0.48 -0.20 0.34 0.00 2.13 0.00 0.00 52.55 55.30 1pnd s ASP 51 Cb -0.34 -2.40 1.99 0.00 -1.45 0.00 0.00 42.92 40.71 1pnd s ASP 51 CO 0.43 -1.01 2.26 0.00 0.13 0.00 0.00 175.17 176.98 1pnd h ALA 52 N 9.08 1.39 0.00 3.66 0.00 -1.93 -1.61 119.26 129.85 1pnd h ALA 52 Ca -0.25 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1pnd h ALA 52 Cb 1.08 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1pnd h ALA 52 CO 1.00 -0.05 -0.25 0.66 0.00 0.00 0.00 179.25 180.61 1pnd h SER 53 N 0.00 0.00 0.97 0.00 4.64 -1.91 -1.10 113.55 116.14 1pnd h SER 53 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1pnd h SER 53 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1pnd h SER 53 CO -0.00 0.25 0.00 0.29 -0.87 0.00 0.00 176.83 176.50 1pnd n LYS 54 N -3.32 0.18 0.00 4.77 5.02 -0.61 -3.95 118.16 120.25 1pnd n LYS 54 Ca 0.01 0.31 0.00 0.00 -2.02 0.00 0.00 58.31 56.60 1pnd n LYS 54 Cb 0.49 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1pnd n LYS 54 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 1pnd n ILE 55 N -2.12 0.00 -4.44 -0.18 -5.35 -0.84 -5.02 119.36 101.42 1pnd n ILE 55 Ca 0.04 -0.32 -0.21 0.00 -0.27 0.00 0.00 62.75 61.99 1pnd n ILE 55 Cb 0.30 1.15 -0.10 0.00 -1.74 0.00 0.00 39.64 39.25 1pnd n ILE 55 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1pnd s SER 56 N -0.37 2.22 0.58 7.28 1.04 -0.48 -4.85 113.70 119.12 1pnd s SER 56 Ca 0.00 -1.44 -0.09 0.00 0.48 0.00 0.00 55.95 54.90 1pnd s SER 56 Cb 0.00 0.08 -0.03 0.00 0.10 0.00 0.00 66.02 66.17 1pnd s SER 56 CO 0.00 -0.70 0.95 -0.04 0.98 0.00 0.00 173.24 174.44 1pnd s MET 57 N -3.89 3.52 0.88 4.02 -1.94 -0.50 -4.83 119.30 116.56 1pnd s MET 57 Ca 0.34 0.54 -0.13 0.00 -1.71 0.00 0.00 55.69 54.73 1pnd s MET 57 Cb 0.07 -2.18 0.12 0.00 2.01 0.00 0.00 34.83 34.86 1pnd s MET 57 CO 0.15 -0.48 1.18 -1.54 -0.01 0.00 0.00 175.02 174.31 1pnd s SER 58 N -4.17 3.87 0.48 3.03 1.04 -1.26 -4.53 113.70 112.16 1pnd s SER 58 Ca 0.53 0.80 0.23 0.00 0.48 0.00 0.00 55.95 57.98 1pnd s SER 58 Cb -0.11 -1.27 1.24 0.00 0.10 0.00 0.00 66.02 65.98 1pnd s SER 58 CO 0.51 -2.31 2.01 -0.33 0.98 0.00 0.00 173.24 174.10 1pnd h GLU 59 N -1.33 0.00 0.00 4.02 5.08 -1.98 -2.84 114.58 117.53 1pnd h GLU 59 Ca -0.48 0.00 -0.24 0.00 -1.00 0.00 0.00 59.36 57.64 1pnd h GLU 59 Cb 1.32 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.53 1pnd h GLU 59 CO 0.61 0.17 -1.37 0.93 -1.00 0.00 0.00 179.01 178.35 1pnd h GLU 60 N 0.00 0.00 -6.94 2.33 3.07 -2.03 -3.46 114.58 107.55 1pnd h GLU 60 Ca -0.00 0.00 -0.54 0.00 -0.50 0.00 0.00 59.36 58.32 1pnd h GLU 60 Cb 0.39 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.41 1pnd h GLU 60 CO 0.02 0.67 0.76 -0.51 -1.40 0.00 0.00 179.01 178.55 1pnd s ASP 61 N -6.32 6.36 0.04 1.42 1.01 -1.07 -5.02 116.67 113.09 1pnd s ASP 61 Ca -0.02 3.01 0.02 0.00 0.71 0.00 0.00 52.55 56.27 1pnd s ASP 61 Cb 0.09 -2.67 -0.03 0.00 1.01 0.00 0.00 42.92 41.33 1pnd s ASP 61 CO 0.82 -0.86 -0.06 -0.76 0.21 0.00 0.00 175.17 174.52 1pnd s LEU 62 N -2.10 2.29 -0.35 1.23 1.43 -1.26 -4.62 118.68 115.30 1pnd s LEU 62 Ca 0.53 -0.60 -0.14 0.00 -1.03 0.00 0.00 54.13 52.88 1pnd s LEU 62 Cb -0.46 -0.08 -0.01 0.00 0.03 0.00 0.00 46.19 45.67 1pnd s LEU 62 CO 0.62 -0.27 0.31 -0.76 0.23 0.00 0.00 176.35 176.48 1pnd s LEU 63 N -1.75 4.51 -0.06 1.79 1.43 0.74 -4.96 118.68 120.38 1pnd s LEU 63 Ca -0.09 -0.35 0.19 0.00 -1.03 0.00 0.00 54.13 52.86 1pnd s LEU 63 Cb -0.08 -2.25 -0.25 0.00 0.03 0.00 0.00 46.19 43.65 1pnd s LEU 63 CO -0.01 -0.30 0.44 0.59 0.23 0.00 0.00 176.35 177.30 1pnd n ASN 64 N 5.26 0.23 -4.79 2.29 3.02 -1.26 -2.04 115.26 117.97 1pnd n ASN 64 Ca -0.11 0.10 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1pnd n ASN 64 Cb 0.49 1.18 -0.06 0.00 -0.61 0.00 0.00 39.78 40.78 1pnd n ASN 64 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pnd s ALA 65 N -3.03 3.57 0.20 5.41 0.00 -1.26 -4.70 121.76 121.95 1pnd s ALA 65 Ca -0.07 -1.10 -0.31 0.00 0.00 0.00 0.00 51.96 50.48 1pnd s ALA 65 Cb 0.10 -1.41 -0.11 0.00 0.00 0.00 0.00 23.12 21.71 1pnd s ALA 65 CO 0.85 0.64 1.58 0.21 0.00 0.00 0.00 175.76 179.04 1pnd s LYS 66 N -2.70 4.20 0.00 0.00 2.20 -1.26 -1.55 119.74 120.62 1pnd s LYS 66 Ca 0.30 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.33 1pnd s LYS 66 Cb -0.11 -3.12 0.00 0.00 -1.51 0.00 0.00 37.83 33.09 1pnd s LYS 66 CO 0.23 -0.61 0.00 0.41 -0.36 0.00 0.00 175.35 175.02 1pnd n GLY 67 N 3.39 1.28 3.77 5.54 0.00 0.12 -4.99 105.19 114.29 1pnd n GLY 67 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1pnd n GLY 67 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pnd s GLU 68 N -0.08 3.99 0.23 1.61 2.12 -0.59 -4.67 118.70 121.29 1pnd s GLU 68 Ca 0.00 2.17 0.08 0.00 0.36 0.00 0.00 54.97 57.58 1pnd s GLU 68 Cb 0.00 -2.78 -0.05 0.00 0.26 0.00 0.00 34.13 31.56 1pnd s GLU 68 CO 0.00 -0.48 -0.12 0.95 -0.54 0.00 0.00 175.26 175.06 1pnd s THR 69 N -1.25 1.75 -0.14 -1.70 -4.23 -1.26 -0.43 115.64 108.38 1pnd s THR 69 Ca 0.56 -2.20 0.01 0.00 -1.18 0.00 0.00 61.69 58.88 1pnd s THR 69 Cb -0.38 -2.17 0.02 0.00 1.34 0.00 0.00 72.50 71.31 1pnd s THR 69 CO 0.50 -0.51 -0.14 0.12 -0.54 0.00 0.00 174.62 174.05 1pnd s PHE 70 N -2.96 2.13 -0.10 3.99 5.36 -0.18 -4.98 117.98 121.24 1pnd s PHE 70 Ca 0.25 -1.17 -0.02 0.00 -0.96 0.00 0.00 56.93 55.03 1pnd s PHE 70 Cb 0.00 -1.56 -0.03 0.00 -0.34 0.00 0.00 43.02 41.09 1pnd s PHE 70 CO 0.09 -0.64 -0.03 -2.00 -1.46 0.00 0.00 175.22 171.18 1pnd s GLU 71 N 1.41 3.15 -0.06 10.12 2.12 -1.26 -0.39 118.70 133.79 1pnd s GLU 71 Ca 0.03 -0.48 -0.13 0.00 0.36 0.00 0.00 54.97 54.75 1pnd s GLU 71 Cb -0.13 -2.78 0.03 0.00 0.26 0.00 0.00 34.13 31.51 1pnd s GLU 71 CO -0.09 0.54 0.31 0.54 -0.54 0.00 0.00 175.26 176.02 1pnd s VAL 72 N -0.45 0.03 -0.12 3.70 0.11 -0.58 -4.99 120.40 118.11 1pnd s VAL 72 Ca 0.07 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.88 1pnd s VAL 72 Cb -0.12 -0.53 -0.01 0.00 -1.53 0.00 0.00 36.38 34.19 1pnd s VAL 72 CO 0.02 -0.14 -0.16 0.00 -3.33 0.00 0.00 175.10 171.49 1pnd s ALA 73 N -0.62 2.49 -0.08 1.54 0.00 -1.26 -0.42 121.76 123.42 1pnd s ALA 73 Ca -0.07 -0.92 -0.13 0.00 0.00 0.00 0.00 51.96 50.84 1pnd s ALA 73 Cb -0.04 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 1pnd s ALA 73 CO 0.02 0.28 0.32 -0.51 0.00 0.00 0.00 175.76 175.87 1pnd s LEU 74 N 0.30 4.38 -0.22 0.00 1.43 -1.26 -4.90 118.68 118.41 1pnd s LEU 74 Ca -0.12 0.72 -0.16 0.00 -1.03 0.00 0.00 54.13 53.54 1pnd s LEU 74 Cb -0.16 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.55 1pnd s LEU 74 CO 0.06 0.26 -0.35 -1.20 0.23 0.00 0.00 176.35 175.36 1pnd n SER 75 N 2.43 1.95 -4.74 2.29 7.64 -1.26 -0.83 113.62 121.10 1pnd n SER 75 Ca -0.14 0.34 -0.41 0.00 1.01 0.00 0.00 58.87 59.66 1pnd n SER 75 Cb 0.53 -0.78 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1pnd n SER 75 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1pnd s ASN 76 N -6.61 6.80 0.56 6.43 0.02 -1.26 -4.55 114.94 116.34 1pnd s ASN 76 Ca -0.33 2.49 -0.19 0.00 -1.02 0.00 0.00 52.86 53.81 1pnd s ASN 76 Cb 0.09 -2.61 -0.05 0.00 0.02 0.00 0.00 41.25 38.70 1pnd s ASN 76 CO 0.46 -0.60 1.12 -0.54 0.02 0.00 0.00 177.10 177.56 1pnd s LYS 77 N -0.09 3.26 0.00 -0.60 1.02 -1.26 -4.75 119.74 117.33 1pnd s LYS 77 Ca 0.58 1.55 0.00 0.00 0.02 0.00 0.00 55.97 58.12 1pnd s LYS 77 Cb -0.38 -2.00 0.00 0.00 -0.52 0.00 0.00 37.83 34.93 1pnd s LYS 77 CO 0.39 -0.91 0.00 0.41 -0.92 0.00 0.00 175.35 174.32 1pnd n GLY 78 N -0.02 0.65 3.75 -3.33 0.00 0.05 -4.83 105.19 101.45 1pnd n GLY 78 Ca 0.11 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.54 1pnd n GLY 78 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1pnd s GLU 79 N -0.78 4.42 -0.19 1.61 2.02 -1.26 -0.63 118.70 123.89 1pnd s GLU 79 Ca 0.00 0.93 0.01 0.00 0.02 0.00 0.00 54.97 55.92 1pnd s GLU 79 Cb 0.00 -3.36 0.04 0.00 0.10 0.00 0.00 34.13 30.92 1pnd s GLU 79 CO 0.00 0.31 -0.09 0.71 0.02 0.00 0.00 175.26 176.21 1pnd s TYR 80 N -0.09 2.29 -0.08 1.61 1.51 0.98 -3.77 117.35 119.80 1pnd s TYR 80 Ca 0.35 -1.50 -0.13 0.00 -1.01 0.00 0.00 57.07 54.78 1pnd s TYR 80 Cb -0.19 -1.58 -0.05 0.00 -0.11 0.00 0.00 41.96 40.03 1pnd s TYR 80 CO 0.20 -0.72 0.31 -1.12 -1.11 0.00 0.00 175.55 173.11 1pnd s SER 81 N 1.44 6.59 0.14 2.29 0.01 -0.11 -0.59 113.70 123.47 1pnd s SER 81 Ca -0.01 0.70 -0.03 0.00 1.31 0.00 0.00 55.95 57.92 1pnd s SER 81 Cb -0.16 -2.19 -0.03 0.00 0.21 0.00 0.00 66.02 63.85 1pnd s SER 81 CO -0.08 0.27 0.12 0.72 0.41 0.00 0.00 173.24 174.68 1pnd s PHE 82 N -0.55 0.73 0.22 2.43 -0.71 -0.47 -0.38 117.98 119.25 1pnd s PHE 82 Ca 0.20 -1.10 -0.16 0.00 -1.04 0.00 0.00 56.93 54.83 1pnd s PHE 82 Cb -0.14 -0.36 0.01 0.00 -1.21 0.00 0.00 43.02 41.32 1pnd s PHE 82 CO 0.08 -0.58 0.51 1.52 -1.34 0.00 0.00 175.22 175.41 1pnd s TYR 83 N -4.03 0.06 -0.34 3.49 -0.85 -0.01 -0.78 117.35 114.89 1pnd s TYR 83 Ca 0.22 -0.43 -0.11 0.00 -0.52 0.00 0.00 57.07 56.23 1pnd s TYR 83 Cb 0.06 0.33 -0.00 0.00 0.38 0.00 0.00 41.96 42.73 1pnd s TYR 83 CO 0.01 -0.96 0.20 0.00 -1.52 0.00 0.00 175.55 173.28 1pnd h SER 85 N 8.43 -1.46 0.08 0.00 4.64 -1.87 0.11 113.55 123.48 1pnd h SER 85 Ca -0.30 0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1pnd h SER 85 Cb 1.14 0.64 -0.00 0.00 -0.31 0.00 0.00 62.40 63.86 1pnd h SER 85 CO 0.64 -0.37 -0.02 1.55 -0.87 0.00 0.00 176.83 177.76 1pnd h PRO 86 N -0.33 0.00 -0.11 4.77 0.13 -1.94 -3.05 132.00 131.47 1pnd h PRO 86 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1pnd h PRO 86 Cb 0.58 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.71 1pnd h PRO 86 CO -0.58 0.02 0.00 0.72 -0.23 0.00 0.00 178.00 177.93 1pnd n HIS 87 N -3.62 0.17 -0.10 1.56 8.25 -0.77 -4.80 115.22 115.91 1pnd n HIS 87 Ca -0.03 -0.54 -0.06 0.00 -0.26 0.00 0.00 57.72 56.83 1pnd n HIS 87 Cb 0.11 -0.06 0.01 0.00 1.12 0.00 0.00 29.99 31.17 1pnd n HIS 87 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 1pnd h GLN 88 N 0.67 0.19 -0.91 -0.41 4.15 -0.88 -1.89 115.11 116.02 1pnd h GLN 88 Ca 0.00 -0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.50 1pnd h GLN 88 Cb 0.63 -0.04 -0.07 0.00 0.21 0.00 0.00 27.48 28.20 1pnd h GLN 88 CO 0.01 0.12 0.56 0.78 -1.93 0.00 0.00 178.83 178.37 1pnd h GLY 89 N 0.19 1.42 2.00 2.39 0.00 -1.87 0.82 103.07 108.03 1pnd h GLY 89 Ca 0.16 -0.39 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1pnd h GLY 89 CO -0.21 0.21 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1pnd n ALA 90 N -2.36 1.59 0.00 3.60 0.00 -0.88 -4.83 120.51 117.64 1pnd n ALA 90 Ca 0.15 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1pnd n ALA 90 Cb 0.26 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.48 1pnd n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pnd n GLY 91 N -0.17 1.11 3.48 0.00 0.00 0.28 -4.96 105.19 104.94 1pnd n GLY 91 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1pnd n GLY 91 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1pnd n MET 92 N -0.68 3.22 -4.17 1.61 0.00 -0.77 -4.86 117.12 111.47 1pnd n MET 92 Ca 0.00 -3.37 -0.11 0.00 -0.00 0.00 0.00 57.70 54.22 1pnd n MET 92 Cb 0.00 -3.37 -0.10 0.00 0.00 0.00 0.00 33.22 29.75 1pnd n MET 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 1pnd s VAL 93 N 3.47 0.48 0.20 1.12 -7.23 -1.26 -0.72 120.40 116.46 1pnd s VAL 93 Ca 0.51 -1.92 -0.06 0.00 -1.81 0.00 0.00 61.98 58.69 1pnd s VAL 93 Cb 0.03 -1.87 0.03 0.00 0.56 0.00 0.00 36.38 35.13 1pnd s VAL 93 CO 0.05 -0.68 0.38 0.61 -0.31 0.00 0.00 175.10 175.15 1pnd n GLY 94 N -0.09 1.71 3.26 2.32 0.00 0.04 -4.63 105.19 107.80 1pnd n GLY 94 Ca -0.09 -1.22 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 1pnd n GLY 94 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1pnd s LYS 95 N -2.13 0.36 -0.08 1.61 2.20 0.09 -1.36 119.74 120.43 1pnd s LYS 95 Ca 0.10 0.89 0.01 0.00 -0.36 0.00 0.00 55.97 56.62 1pnd s LYS 95 Cb -0.02 0.12 -0.03 0.00 -1.51 0.00 0.00 37.83 36.40 1pnd s LYS 95 CO 0.07 -0.20 -0.10 0.54 -0.36 0.00 0.00 175.35 175.30 1pnd s VAL 96 N 1.94 3.38 -0.19 4.02 0.11 0.24 -2.48 120.40 127.42 1pnd s VAL 96 Ca -0.06 -0.59 -0.04 0.00 -2.93 0.00 0.00 61.98 58.36 1pnd s VAL 96 Cb -0.10 -2.38 -0.02 0.00 -1.53 0.00 0.00 36.38 32.35 1pnd s VAL 96 CO -0.13 0.57 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.31 1pnd s THR 97 N -0.48 3.82 -0.39 5.04 2.01 -0.04 -0.01 115.64 125.59 1pnd s THR 97 Ca 0.07 -0.36 -0.15 0.00 0.31 0.00 0.00 61.69 61.56 1pnd s THR 97 Cb -0.12 -2.71 0.01 0.00 0.01 0.00 0.00 72.50 69.69 1pnd s THR 97 CO 0.02 0.44 0.31 -0.69 -0.69 0.00 0.00 174.62 174.01 1pnd s VAL 98 N 0.91 5.24 0.00 3.82 1.01 0.20 -0.82 120.40 130.75 1pnd s VAL 98 Ca 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1pnd s VAL 98 Cb -0.14 -3.88 0.00 0.00 0.00 0.00 0.00 36.38 32.35 1pnd s VAL 98 CO 0.02 -0.24 0.32 -0.46 0.00 0.00 0.00 175.10 174.74